*HEADER   CHAPERONE                               20-AUG-98   1BQ0    
*TITLE    J-DOMAIN (RESIDUES 1-77) OF THE ESCHERICHIA COLI N-TERMINAL 
*TITLE   2 FRAGMENT (RESIDUES 1-104) OF THE MOLECULAR CHAPERONE DNAJ, 
*TITLE   3 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNAJ;                                            
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: N-TERMINAL FRAGMENT (RESIDUES 1-104);            
*COMPND  6 SYNONYM: HSP40;                                            
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 BIOLOGICAL_UNIT: HOMODIMER                                 
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 PLASMID: PDNAJ(1-104)11D;                                  
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: MGT7;                            
*SOURCE  6 EXPRESSION_SYSTEM_VECTOR: T7;                              
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PET11D                          
*KEYWDS   CHAPERONE, HEAT SHOCK, PROTEIN FOLDING, DNAK                
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   K.HUANG,J.M.FLANAGAN,J.H.PRESTEGARD                         
*REVDAT  1   15-JUN-99 1BQ0    0                                      
 
                                                                                
                                                                                
Torsion angle constraints for DnaJ(1-104)\\                                     
                                                                                
assign  \= (resid 5 and name n) (resid 5 and name ca)\\                         
                                                                                
\>      (resid 5 and name cb)   (resid 5 and name cg) 1.0 60 60 2\\             
                                                                                
assign  (resid 9 and name n)    (resid 9 and name ca)\\                         
                                                                                
\>      (resid 9 and name cb)   (resid 9 and name cg) 1.0 -60 60 2\\            
                                                                                
assign  (resid 16 and name n)   (resid 16 and name ca)\\                        
                                                                                
\>      (resid 16 and name cb)  (resid 16 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 18 and name n)   (resid 18 and name ca)\\                        
                                                                                
\>      (resid 18 and name cb)  (resid 18 and name cg) 1.0 60 60 2\\            
                                                                                
assign  (resid 19 and name n)   (resid 19 and name ca)\\                        
                                                                                
\>      (resid 19 and name cb)  (resid 19 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 21 and name n)   (resid 21 and name ca)\\                        
                                                                                
\>      (resid 21 and name cb)  (resid 21 and name cg) 1.0 60 60 2\\            
                                                                                
assign  (resid 24 and name n)   (resid 24 and name ca)\\                        
                                                                                
\>      (resid 24 and name cb)  (resid 24 and name cg) 1.0 180 60 2\\           
                                                                                
assign  (resid 27 and name n)   (resid 27 and name ca)\\                        
                                                                                
\>      (resid 27 and name cb)  (resid 27 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 30 and name n)   (resid 30 and name ca)\\                        
                                                                                
\>      (resid 30 and name cb)  (resid 30 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 31 and name n)   (resid 31 and name ca)\\                        
                                                                                
\>      (resid 31 and name cb)  (resid 31 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 32 and name n)   (resid 32 and name ca)\\                        
                                                                                
\>      (resid 32 and name cb)  (resid 32 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 35 and name n)   (resid 35 and name ca)\\                        
                                                                                
\>      (resid 35 and name cb)  (resid 35 and name cg) 1.0 60 60 2\\            
                                                                                
assign  (resid 36 and name n)   (resid 36 and name ca)\\                        
                                                                                
\>      (resid 36 and name cb)  (resid 36 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 40 and name n)   (resid 40 and name ca)\\                        
                                                                                
\>      (resid 40 and name cb)  (resid 40 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 45 and name n)   (resid 45 and name ca)\\                        
                                                                                
\>      (resid 45 and name cb)  (resid 45 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 47 and name n)   (resid 47 and name ca)\\                        
                                                                                
\>      (resid 47 and name cb)  (resid 47 and name cg) 1.0 60 60 2\\            
                                                                                
assign  (resid 48 and name n)   (resid 48 and name ca)\\                        
                                                                                
\>      (resid 48 and name cb)  (resid 48 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 53 and name n)   (resid 53 and name ca)\\                        
                                                                                
\>      (resid 53 and name cb)  (resid 53 and name cg) 1.0 180 60 2\\           
                                                                                
assign  (resid 54 and name n)   (resid 54 and name ca)\\                        
                                                                                
\>      (resid 54 and name cb)  (resid 54 and name cg) 1.0 180 60 2\\           
                                                                                
assign  (resid 56 and name n)   (resid 56 and name ca)\\                        
                                                                                
\>      (resid 56 and name cb)  (resid 56 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 58 and name n)   (resid 58 and name ca)\\                        
                                                                                
\>      (resid 58 and name cb)  (resid 58 and name cg) 1.0 180 60 2\\           
                                                                                
assign  (resid 60 and name n)   (resid 60 and name ca)\\                        
                                                                                
\>      (resid 60 and name cb)  (resid 60 and name cg) 1.0 60 60 2\\            
                                                                                
assign  (resid 65 and name n)   (resid 65 and name ca)\\                        
                                                                                
\>      (resid 65 and name cb)  (resid 65 and name cg) 1.0 180 60 2\\           
                                                                                
assign  (resid 66 and name n)   (resid 66 and name ca)\\                        
                                                                                
\>      (resid 66 and name cb)  (resid 66 and name cg) 1.0 60 60 2\\            
                                                                                
assign  (resid 68 and name n)   (resid 68 and name ca)\\                        
                                                                                
\>      (resid 68 and name cb)  (resid 68 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 73 and name n)   (resid 73 and name ca)\\                        
                                                                                
\>      (resid 73 and name cb)  (resid 73 and name cg) 1.0 -60 60 2\\           
                                                                                
assign  (resid 14 and name n)   (resid 14 and name ca)\\                        
                                                                                
\>      (resid 14 and name cb)  (resid 14 and name og1) 1.0 60 60 2\\           
                                                                                
assign  (resid 57 and name n)   (resid 57 and name ca)\\                        
                                                                                
\>      (resid 57 and name cb)  (resid 57 and name og1) 1.0 60 60 2\\           
                                                                                
assign  (resid 11 and name n)   (resid 11 and name ca)\\                        
                                                                                
\>      (resid 11 and name cb)  (resid 11 and name cg1) 1.0 180 60 2\\          
                                                                                
assign  (resid 55 and name n)   (resid 55 and name ca)\\                        
                                                                                
\>      (resid 55 and name cb)  (resid 55 and name cg1) 1.0 60 60 2\\           
                                                                                
assign  (resid 49 and name n)   (resid 49 and name ca)\\                        
                                                                                
\>      (resid 49 and name cb)  (resid 49 and name cg1) 1.0 -60 60 2\\          
                                                                                
assign  (resid 20 and name n)   (resid 20 and name ca)\\                        
                                                                                
\>      (resid 20 and name cb)  (resid 20 and name cg1) 1.0 -60 60 2\\          
                                                                                
assign  (resid 8 and name n)    (resid 8 and name ca)\\                         
                                                                                
\>      (resid 8 and name cb)   (resid 8 and name cg1) 1.0 -60 60 2\\           
                                                                                
assign  (resid 3 and name c)    (resid 4 and name n)\\                          
                                                                                
\>      (resid 4 and name ca)   (resid 4 and name c) 1.0 -57 30 2\\             
                                                                                
assign  (resid 5 and name c)    (resid 6 and name n)\\                          
                                                                                
\>        (resid 6 and name ca)   (resid 6 and name c) 1.0 -57 30 2\\           
                                                                                
assign  (resid 6 and name c)    (resid 7 and name n)\\                          
                                                                                
\>      (resid 7 and name ca)   (resid 7 and name c) 1.0 -57 30 2\\             
                                                                                
assign  (resid 7 and name c)    (resid 8 and name n)\\                          
                                                                                
\>        (resid 8 and name ca)   (resid 8 and name c) 1.0 -57 30 2\\           
                                                                                
assign  (resid 8 and name c)    (resid 9 and name n)\\                          
                                                                                
\>        (resid 9 and name ca)   (resid 9 and name c) 1.0 -120 30 2\\          
                                                                                
assign  (resid 13 and name c)    (resid 14 and name n)\\                        
                                                                                
\>        (resid 14 and name ca)   (resid 14 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 14 and name c)    (resid 15 and name n)\\                        
                                                                                
\>        (resid 15 and name ca)   (resid 15 and name c) 1.0 -57 30 2\\         
                                                                                
assign  (resid 15 and name c)    (resid 16 and name n)\\                        
                                                                                
\>        (resid 16 and name ca)   (resid 16 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 16 and name c)    (resid 17 and name n)\\                        
                                                                                
\>        (resid 17 and name ca)   (resid 17 and name c) 1.0 -57 30 2\\         
                                                                                
assign  (resid 17 and name c)   (resid 18 and name n)\\                         
                                                                                
\>      (resid 18 and name ca)  (resid 18 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 19 and name c)   (resid 20 and name n)\\                         
                                                                                
\>      (resid 20 and name ca)  (resid 20 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 20 and name c)   (resid 21 and name n)\\                         
                                                                                
\>      (resid 21 and name ca)  (resid 21 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 22 and name c)   (resid 23 and name n)\\                         
                                                                                
\>      (resid 23 and name ca)  (resid 23 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 23 and name c)   (resid 24 and name n)\\                         
                                                                                
\>      (resid 24 and name ca)  (resid 24 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 24 and name c)   (resid 25 and name n)\\                         
                                                                                
\>      (resid 25 and name ca)  (resid 25 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 25 and name c)   (resid 26 and name n)\\                         
                                                                                
\>      (resid 26 and name ca)  (resid 26 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 27 and name c)   (resid 28 and name n)\\                         
                                                                                
\>      (resid 28 and name ca)  (resid 28 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 28 and name c)   (resid 29 and name n)\\                         
                                                                                
\>      (resid 29 and name ca)  (resid 29 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 30 and name c)    (resid 31 and name n)\\                        
                                                                                
\>        (resid 31 and name ca)   (resid 31 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 31 and name c)   (resid 32 and name n)\\                         
                                                                                
\>      (resid 32 and name ca)  (resid 32 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 34 and name c)   (resid 35 and name n)\\                         
                                                                                
\>      (resid 35 and name ca)  (resid 35 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 35 and name c)    (resid 36 and name n)\\                        
                                                                                
\>        (resid 36 and name ca)   (resid 36 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 38 and name c)    (resid 39 and name n)\\                        
                                                                                
\>        (resid 39 and name ca)   (resid 39 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 41 and name c)   (resid 42 and name n)\\                         
                                                                                
\>      (resid 42 and name ca)  (resid 42 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 42 and name c)   (resid 43 and name n)\\                         
                                                                                
\>      (resid 43 and name ca)  (resid 43 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 43 and name c)   (resid 44 and name n)\\                         
                                                                                
\>      (resid 44 and name ca)  (resid 44 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 44 and name c)   (resid 45 and name n)\\                         
                                                                                
\>        (resid 45 and name ca)  (resid 45 and name c) 1.0 -57 30 2\\          
                                                                                
assign  (resid 45 and name c)   (resid 46 and name n)\\                         
                                                                                
\>      (resid 46 and name ca)  (resid 46 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 46 and name c)   (resid 47 and name n)\\                         
                                                                                
\>      (resid 47 and name ca)  (resid 47 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 47 and name c)   (resid 48 and name n)\\                         
                                                                                
\>        (resid 48 and name ca)  (resid 48 and name c) 1.0 -57 30 2\\          
                                                                                
assign  (resid 50 and name c)   (resid 51 and name n)\\                         
                                                                                
\>      (resid 51 and name ca)  (resid 51 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 51 and name c)   (resid 52 and name n)\\                         
                                                                                
\>      (resid 52 and name ca)  (resid 52 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 52 and name c)   (resid 53 and name n)\\                         
                                                                                
\>      (resid 53 and name ca)  (resid 53 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 53 and name c)    (resid 54 and name n)\\                        
                                                                                
\>        (resid 54 and name ca)   (resid 54 and name c) 1.0 -57 30 2\\         
                                                                                
assign  (resid 57 and name c)    (resid 58 and name n)\\                        
                                                                                
\>        (resid 58 and name ca)   (resid 58 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 61 and name c)    (resid 62 and name n)\\                        
                                                                                
\>        (resid 62 and name ca)   (resid 62 and name c) 1.0 -57 30 2\\         
                                                                                
assign  (resid 63 and name c)   (resid 64 and name n)\\                         
                                                                                
\>        (resid 64 and name ca)  (resid 64 and name c) 1.0 -57 30 2\\          
                                                                                
assign  (resid 65 and name c)   (resid 66 and name n)\\                         
                                                                                
\>      (resid 66 and name ca)  (resid 66 and name c) 1.0 -57 30 2\\            
                                                                                
assign  (resid 67 and name c)    (resid 68 and name n)\\                        
                                                                                
\>        (resid 68 and name ca)   (resid 68 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 69 and name c)    (resid 70 and name n)\\                        
                                                                                
\>        (resid 70 and name ca)   (resid 70 and name c) 1.0 -120 30 2\\        
                                                                                
assign  (resid 71 and name c)   (resid 72 and name n)\\                         
                                                                                
\>        (resid 72 and name ca)  (resid 72 and name c) 1.0 -57 30 2\\          
                                                                                
assign  (resid 72 and name c)    (resid 73 and name n)\\                        
                                                                                
\>        (resid 73 and name ca)   (resid 73 and name c) 1.0 -120 30 2\\        
                                                                                
                                                                                
                                                                                
Distance constraints for DnaJ(1-104)\\                                          
                                                                                
!!manually picked peaks with no volumes                                         
                                                                                
!!see notebook \#7, page 150                                                    
                                                                                
\\assign (resid 5 and name ha) (resid 8 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 8 and name ha) (resid 9 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 6 and name ha) (resid 9 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 7 and name ha) (resid 6 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 22 and name ha) (resid 25 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 50 and name ha) (resid 53 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 51 and name ha) (resid 54 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 53 and name ha) (resid 56 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 62 and name ha) (resid 65 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 61 and name ha) (resid 64 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 1 and name ha) (resid 1 and name hb\#) 4.045000 2.245 0.955 ! a 
                                                                                
\\assign (resid 2 and name ha) (resid 2 and name hb\#) 3.153000 1.353 0.147 ! k 
                                                                                
\\assign (resid 2 and name hb\#) (resid 2 and name he\#) 5.000000 3.200 0.000 ! 
                                                                                
\\assign (resid 2 and name hn) (resid 3 and name he2\#) 3.327000 1.527 1.673 ! k
                                                                                
\\assign (resid 2 and name ha) (resid 3 and name hn) 2.802000 1.002 0.198 ! k q 
                                                                                
\\assign (resid 2 and name hn) (resid 2 and name hg\#) 3.384000 1.584 2.616 ! k 
                                                                                
\\assign (resid 2 and name hb\#) (resid 2 and name ha) 5.000000 3.200 0.000 ! k 
                                                                                
\\assign (resid 3 and name hg\#) (resid 3 and name ha) 2.787000 0.987 1.113 ! q 
                                                                                
\\assign (resid 3 and name ha) (resid 4 and name hb\#) 3.248000 1.448 1.052 ! q 
                                                                                
\\assign (resid 3 and name he2\#) (resid 2 and name hn) 3.923000 2.123 1.077 ! q
                                                                                
\\assign (resid 3 and name hb\#) (resid 8 and name hd1\#) 5.000000 3.200 2.000 !
                                                                                
\\assign (resid 3 and name hb\#) (resid 3 and name hn) 5.000000 3.200 0.600 ! q 
                                                                                
\\assign (resid 3 and name hn) (resid 2 and name hb\#) 3.426000 1.626 2.574 ! q 
                                                                                
\\assign (resid 3 and name hb\#) (resid 3 and name hg\#) 5.000000 3.200 0.000 ! 
                                                                                
\\assign (resid 3 and name ha) (resid 4 and name hn) 3.091000 1.291 0.909 ! q d 
                                                                                
\\assign (resid 3 and name hb\#) (resid 4 and name hn) 5.000000 3.200 1.000 ! q 
                                                                                
\\assign (resid 3 and name hg\#) (resid 8 and name hd1\#) 3.800000 2.000 3.200 !
                                                                                
\\assign (resid 3 and name hn) (resid 3 and name ha) 3.179000 1.379 0.821 ! q q 
                                                                                
\\assign (resid 3 and name ha) (resid 8 and name hd1\#) 4.312000 2.512 1.688 ! q
                                                                                
\\assign (resid 3 and name hg\#) (resid 3 and name hn) 3.058000 1.258 1.242 ! q 
                                                                                
\\assign (resid 3 and name hg\#) (resid 4 and name hn) 3.383000 1.583 2.617 ! q 
                                                                                
\\assign (resid 3 and name hg\#) (resid 3 and name he2\#) 3.406000 1.606 1.594 !
                                                                                
\\assign (resid 4 and name hn) (resid 4 and name hb\#) 3.783000 1.983 1.817 ! d 
                                                                                
\\assign (resid 4 and name hb\#) (resid 4 and name hn) 3.338000 1.538 2.262 ! d 
                                                                                
\\assign (resid 4 and name hb\#) (resid 5 and name hn) 3.326000 1.526 2.674 ! d 
                                                                                
\\assign (resid 4 and name ha) (resid 5 and name hn) 3.268000 1.468 0.732 ! d y 
                                                                                
\\assign (resid 4 and name ha) (resid 4 and name hn) 4.000000 2.200 0.000 ! d d 
                                                                                
\\assign (resid 4 and name hn) (resid 3 and name hg\#) 3.923000 2.123 2.077 ! d 
                                                                                
\\assign (resid 4 and name ha) (resid 4 and name hb\#) 3.309000 1.509 1.691 ! d 
                                                                                
\\assign (resid 4 and name hn) (resid 7 and name hb\#) 3.379000 1.579 2.621 ! d 
                                                                                
\\assign (resid 5 and name ha) (resid 8 and name hd1\#) 3.624000 1.824 2.376 ! y
                                                                                
\\assign (resid 5 and name ha) (resid 8 and name hb) 2.914000 1.114 0.386 ! y i 
                                                                                
\\assign (resid 5 and name hb2) (resid 56 and name hd\#) 5.000000 3.200 2.400 ! 
                                                                                
\\assign (resid 5 and name ha) (resid 5 and name hd\#) 3.316000 1.516 2.684 ! y 
                                                                                
\\assign (resid 5 and name hn) (resid 8 and name hb) 3.701000 1.901 1.299 ! y i 
                                                                                
\\assign (resid 5 and name ha) (resid 52 and name hb\#) 5.000000 3.200 1.000 ! y
                                                                                
\\assign (resid 5 and name hb1) (resid 5 and name hb2) 3.305000 1.505 1.695 ! y 
                                                                                
\\assign (resid 5 and name hb1) (resid 5 and name hd\#) 3.342000 1.542 1.658 ! y
                                                                                
\\assign (resid 5 and name hb2) (resid 5 and name hd\#) 5.000000 3.200 0.000 ! y
                                                                                
\\assign (resid 5 and name hn) (resid 5 and name ha) 3.853000 2.053 0.147 ! y y 
                                                                                
\\assign (resid 6 and name ha) (resid 56 and name hd\#) 5.000000 3.200 2.400 ! y
                                                                                
\\assign (resid 6 and name hb\#) (resid 7 and name hn) 5.000000 3.200 1.000 ! y 
                                                                                
\\assign (resid 6 and name ha) (resid 9 and name hd\#) 5.000000 3.200 2.400 ! y 
                                                                                
\\assign (resid 6 and name hb2) (resid 9 and name hd\#) 5.000000 3.200 2.400 ! y
                                                                                
\\assign (resid 6 and name hn) (resid 7 and name hn) 3.014000 1.214 0.986 ! y e 
                                                                                
\\assign (resid 6 and name ha) (resid 6 and name hd\#) 5.000000 3.200 1.000 ! y 
                                                                                
\\assign (resid 6 and name ha) (resid 6 and name hb\#) 5.000000 3.200 0.000 ! y 
                                                                                
\\assign (resid 6 and name hb1) (resid 6 and name ha) 5.000000 3.200 0.000 ! y y
                                                                                
\\assign (resid 6 and name ha) (resid 6 and name hn) 4.000000 2.200 0.000 ! y y 
                                                                                
\\assign (resid 6 and name hb2) (resid 6 and name ha) 5.000000 3.200 0.000 ! y y
                                                                                
\\assign (resid 6 and name hb1) (resid 6 and name hd\#) 5.000000 3.200 0.000 ! y
                                                                                
\\assign (resid 6 and name ha) (resid 7 and name hn) 4.000000 2.200 0.000 ! y e 
                                                                                
\\assign (resid 6 and name hb\#) (resid 9 and name hd\#) 3.966000 2.166 4.434 ! 
                                                                                
\\assign (resid 6 and name ha) (resid 14 and name hg2\#) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 6 and name hb2) (resid 6 and name hn) 3.632000 1.832 1.368 ! y y
                                                                                
\\assign (resid 7 and name hn) (resid 6 and name hb1) 3.337000 1.537 1.663 ! e y
                                                                                
\\assign (resid 7 and name ha) (resid 11 and name hn) 4.000000 2.200 0.000 ! e v
                                                                                
\\assign (resid 7 and name hn) (resid 7 and name hb\#) 3.184000 1.384 0.716 ! e 
                                                                                
\\assign (resid 7 and name ha) (resid 6 and name hn) 3.511000 1.711 1.489 ! e y 
                                                                                
\\assign (resid 7 and name hg\#) (resid 8 and name hn) 3.739000 1.939 2.261 ! e 
                                                                                
\\assign (resid 7 and name ha) (resid 8 and name hn) 3.144000 1.344 0.856 ! e i 
                                                                                
\\assign (resid 7 and name hg\#) (resid 7 and name hn) 3.248000 1.448 1.052 ! e 
                                                                                
\\assign (resid 7 and name ha) (resid 7 and name hn) 4.000000 2.200 0.000 ! e e 
                                                                                
\\assign (resid 7 and name ha) (resid 11 and name hg1\#) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 8 and name hb) 3.075000 1.275 0.225 ! i
                                                                                
\\assign (resid 8 and name hd1\#) (resid 5 and name he\#) 3.796000 1.996 4.204 !
                                                                                
\\assign (resid 8 and name hb) (resid 8 and name hg2\#) 3.153000 1.353 0.147 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 8 and name hg1\#) 3.557000 1.757 1.443 
                                                                                
\\assign (resid 8 and name hb) (resid 9 and name hn) 5.000000 3.200 0.000 ! i l 
                                                                                
\\assign (resid 8 and name hg1\#) (resid 8 and name hb) 3.720000 1.920 1.280 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 7 and name hb\#) 3.781000 1.981 3.219 !
                                                                                
\\assign (resid 8 and name hb) (resid 8 and name ha) 3.270000 1.470 0.030 ! i i 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 8 and name hg1\#) 3.193000 1.393 0.107 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 5 and name hd\#) 3.906000 2.106 4.094 !
                                                                                
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\\assign (resid 71 and name hb\#) (resid 74 and name hg\#) 3.925000 2.125 3.075 
                                                                                
\\assign (resid 71 and name ha) (resid 71 and name hb\#) 3.169000 1.369 0.131 ! 
                                                                                
\\assign (resid 71 and name hb\#) (resid 68 and name hd\#) 4.464000 2.664 3.536 
                                                                                
\\assign (resid 71 and name hb\#) (resid 72 and name hb\#) 3.873000 2.073 3.127 
                                                                                
\\assign (resid 71 and name ha) (resid 72 and name hn) 3.225000 1.425 0.775 ! a 
                                                                                
\\assign (resid 71 and name hb\#) (resid 72 and name hn) 3.572000 1.772 2.428 ! 
                                                                                
\\assign (resid 71 and name hb\#) (resid 70 and name hb1) 3.839000 2.039 2.161 !
                                                                                
\\assign (resid 71 and name hb\#) (resid 70 and name hb2) 4.327000 2.527 1.673 !
                                                                                
\\assign (resid 71 and name ha) (resid 71 and name hn) 3.480000 1.680 0.520 ! a 
                                                                                
\\assign (resid 71 and name hb\#) (resid 71 and name hn) 5.000000 3.200 0.600 ! 
                                                                                
\\assign (resid 71 and name hb\#) (resid 70 and name hn) 4.145000 2.345 1.855 ! 
                                                                                
\\assign (resid 71 and name hn) (resid 70 and name hb\#) 2.940000 1.140 1.360 ! 
                                                                                
\\assign (resid 71 and name hn) (resid 72 and name hn) 3.094000 1.294 0.906 ! a 
                                                                                
\\assign (resid 72 and name hb\#) (resid 68 and name hb1) 3.363000 1.563 2.637 !
                                                                                
\\assign (resid 72 and name hb\#) (resid 72 and name ha) 3.097000 1.297 0.203 ! 
                                                                                
\\assign (resid 72 and name hb\#) (resid 71 and name ha) 3.234000 1.434 5.066 ! 
                                                                                
\\assign (resid 72 and name hb\#) (resid 68 and name he\#) 4.004000 2.204 3.996 
                                                                                
\\assign (resid 72 and name hb\#) (resid 68 and name hd\#) 3.457000 1.657 4.543 
                                                                                
\\assign (resid 72 and name ha) (resid 72 and name hb\#) 3.535000 1.735 1.465 ! 
                                                                                
\\assign (resid 72 and name hb\#) (resid 68 and name hn) 3.735000 1.935 2.265 ! 
                                                                                
\\assign (resid 72 and name ha) (resid 72 and name hn) 3.370000 1.570 0.630 ! a 
                                                                                
\\assign (resid 72 and name hb\#) (resid 72 and name hn) 3.173000 1.373 0.727 ! 
                                                                                
\\assign (resid 72 and name ha) (resid 70 and name hb1) 4.521000 2.721 0.479 ! a
                                                                                
\\assign (resid 72 and name hn) (resid 72 and name ha) 3.579000 1.779 0.421 ! a 
                                                                                
\\assign (resid 73 and name hb2) (resid 73 and name ha) 3.133000 1.333 0.167 ! f
                                                                                
\\assign (resid 73 and name hb1) (resid 73 and name hd\#) 3.299000 1.499 0.001 !
                                                                                
\\assign (resid 73 and name hb2) (resid 73 and name hn) 3.109000 1.309 0.191 ! f
                                                                                
\\assign (resid 73 and name hb1) (resid 73 and name hn) 3.286000 1.486 0.014 ! f
                                                                                
\\assign (resid 73 and name hn) (resid 73 and name hd\#) 3.352000 1.552 3.648 ! 
                                                                                
\\assign (resid 73 and name hn) (resid 72 and name hb\#) 3.795000 1.995 2.205 ! 
                                                                                
\\assign (resid 73 and name hn) (resid 72 and name hb\#) 3.864000 2.064 2.136 ! 
                                                                                
\\assign (resid 74 and name hn) (resid 73 and name ha) 3.418000 1.618 0.582 ! e 
                                                                                
\\assign (resid 74 and name hb\#) (resid 71 and name ha) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 74 and name hb\#) (resid 74 and name ha) 5.000000 3.200 0.000 ! 
                                                                                
\\assign (resid 74 and name hb\#) (resid 74 and name hg\#) 5.000000 3.200 0.000 
                                                                                
\\assign (resid 74 and name ha) (resid 74 and name hg\#) 5.000000 3.200 0.600 ! 
                                                                                
\\assign (resid 74 and name hb\#) (resid 73 and name hn) 3.368000 1.568 2.632 ! 
                                                                                
\\assign (resid 74 and name ha) (resid 74 and name hn) 3.119000 1.319 0.881 ! e 
                                                                                
\\assign (resid 74 and name hb\#) (resid 77 and name hn) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 74 and name hb\#) (resid 75 and name hn) 3.591000 1.791 2.409 ! 
                                                                                
\\assign (resid 74 and name hn) (resid 74 and name hg\#) 3.819000 2.019 2.181 ! 
                                                                                
\\assign (resid 74 and name hn) (resid 75 and name hn) 3.939000 2.139 0.061 ! e 
                                                                                
\\assign (resid 74 and name hn) (resid 74 and name hb\#) 3.862000 2.062 1.738 ! 
                                                                                
\\assign (resid 75 and name ha) (resid 75 and name hb\#) 5.000000 3.200 0.000 ! 
                                                                                
\\assign (resid 75 and name ha) (resid 75 and name hg\#) 5.000000 3.200 0.600 ! 
                                                                                
\\assign (resid 75 and name ha) (resid 75 and name hn) 2.637000 0.837 0.363 ! q 
                                                                                
\\assign (resid 75 and name hg\#) (resid 75 and name hb\#) 2.374000 0.574 0.326 
                                                                                
\\assign (resid 75 and name hn) (resid 75 and name hb\#) 2.926000 1.126 0.974 ! 
                                                                                
\\assign (resid 75 and name hn) (resid 75 and name he2\#) 3.681000 1.881 1.319 !
                                                                                
\\assign (resid 75 and name hn) (resid 75 and name hb\#) 2.908000 1.108 0.992 ! 
                                                                                
\\assign (resid 75 and name hn) (resid 75 and name hg\#) 3.532000 1.732 2.468 ! 
                                                                                
\\assign (resid 75 and name he2\#) (resid 75 and name hg\#) 3.983000 2.183 1.017
                                                                                
\\assign (resid 76 and name hn) (resid 75 and name hn) 3.485000 1.685 0.515 ! g 



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT2      ALA   1  69.191 -13.286   2.180
    2   2H    ALA   1           HT1      ALA   1  69.997 -12.289   1.063
    3   3H    ALA   1           HT3      ALA   1  69.560 -11.677   2.582
    4    HA   ALA   1           HA       ALA   1  68.007 -10.841   0.961
    5   1HB   ALA   1           HB3      ALA   1  68.589 -12.692  -0.627
    6   2HB   ALA   1           HB2      ALA   1  67.606 -13.786   0.343
    7   3HB   ALA   1           HB1      ALA   1  66.851 -12.430  -0.492
    8    H    LYS   2           HN       LYS   2  68.110 -11.853   3.807
    9    HA   LYS   2           HA       LYS   2  65.184 -12.433   4.151
   10   1HB   LYS   2           HB2      LYS   2  67.681 -13.379   5.562
   11   2HB   LYS   2           HB1      LYS   2  66.109 -13.464   6.357
   12   1HG   LYS   2           HG2      LYS   2  65.529 -15.282   5.158
   13   2HG   LYS   2           HG1      LYS   2  65.928 -14.467   3.645
   14   1HD   LYS   2           HD2      LYS   2  67.965 -15.457   3.507
   15   2HD   LYS   2           HD1      LYS   2  68.279 -15.250   5.230
   16   1HE   LYS   2           HE2      LYS   2  66.149 -17.209   4.620
   17   2HE   LYS   2           HE1      LYS   2  67.772 -17.678   4.074
   18   1HZ   LYS   2           HZ3      LYS   2  67.090 -16.672   6.788
   19   2HZ   LYS   2           HZ2      LYS   2  67.411 -18.294   6.397
   20   3HZ   LYS   2           HZ1      LYS   2  68.636 -17.125   6.258
   21    H    GLN   3           HN       GLN   3  65.980  -9.774   3.928
   22    HA   GLN   3           HA       GLN   3  65.941  -8.804   6.770
   23   1HB   GLN   3           HB2      GLN   3  67.284  -7.860   4.242
   24   2HB   GLN   3           HB1      GLN   3  66.954  -6.719   5.546
   25   1HG   GLN   3           HG2      GLN   3  69.010  -7.427   6.273
   26   2HG   GLN   3           HG1      GLN   3  68.050  -8.725   6.984
   27   1HE2  GLN   3          HE22      GLN   3  70.227 -10.915   5.236
   28   2HE2  GLN   3          HE21      GLN   3  69.754 -10.324   6.755
   29    H    ASP   4           HN       ASP   4  64.184  -7.637   7.310
   30    HA   ASP   4           HA       ASP   4  61.870  -7.344   5.754
   31   1HB   ASP   4           HB2      ASP   4  62.372  -7.048   8.264
   32   2HB   ASP   4           HB1      ASP   4  62.826  -5.393   7.855
   33    H    TYR   5           HN       TYR   5  61.055  -4.778   5.519
   34    HA   TYR   5           HA       TYR   5  63.182  -3.275   4.070
   35   1HB   TYR   5           HB2      TYR   5  60.744  -3.094   2.580
   36   2HB   TYR   5           HB1      TYR   5  62.297  -3.748   2.068
   37    HD1  TYR   5           HD1      TYR   5  59.425  -4.739   4.278
   38    HD2  TYR   5           HD2      TYR   5  62.300  -5.956   1.330
   39    HE1  TYR   5           HE1      TYR   5  58.442  -7.014   4.260
   40    HE2  TYR   5           HE2      TYR   5  61.317  -8.234   1.311
   41    HH   TYR   5           HH       TYR   5  59.987  -9.672   2.797
   42    H    TYR   6           HN       TYR   6  60.031  -3.282   5.660
   43    HA   TYR   6           HA       TYR   6  59.482  -0.472   5.336
   44   1HB   TYR   6           HB2      TYR   6  57.559  -1.163   6.322
   45   2HB   TYR   6           HB1      TYR   6  58.247  -2.783   6.317
   46    HD1  TYR   6           HD1      TYR   6  58.480   0.390   8.328
   47    HD2  TYR   6           HD2      TYR   6  58.347  -3.904   8.353
   48    HE1  TYR   6           HE1      TYR   6  58.510   0.399  10.804
   49    HE2  TYR   6           HE2      TYR   6  58.373  -3.884  10.829
   50    HH   TYR   6           HH       TYR   6  59.037  -1.023  12.645
   51    H    GLU   7           HN       GLU   7  61.169  -2.454   7.696
   52    HA   GLU   7           HA       GLU   7  61.775  -0.162   9.404
   53   1HB   GLU   7           HB2      GLU   7  61.826  -3.041   9.480
   54   2HB   GLU   7           HB1      GLU   7  63.406  -2.424   9.967
   55   1HG   GLU   7           HG2      GLU   7  60.952  -1.132  11.108
   56   2HG   GLU   7           HG1      GLU   7  61.461  -2.693  11.753
   57    H    ILE   8           HN       ILE   8  63.227  -1.922   6.745
   58    HA   ILE   8           HA       ILE   8  65.954  -1.408   7.038
   59    HB   ILE   8           HB       ILE   8  64.029  -1.459   4.722
   60   1HG1  ILE   8          HG12      ILE   8  66.250  -3.200   5.809
   61   2HG1  ILE   8          HG11      ILE   8  64.541  -3.597   5.642
   62   1HG2  ILE   8          HG21      ILE   8  65.885   0.176   4.210
   63   2HG2  ILE   8          HG23      ILE   8  67.027  -1.148   4.442
   64   3HG2  ILE   8          HG22      ILE   8  65.836  -1.226   3.144
   65   1HD1  ILE   8          HD12      ILE   8  64.804  -3.420   3.150
   66   2HD1  ILE   8          HD11      ILE   8  66.537  -3.195   3.396
   67   3HD1  ILE   8          HD13      ILE   8  65.770  -4.711   3.865
   68    H    LEU   9           HN       LEU   9  63.325   0.839   6.334
   69    HA   LEU   9           HA       LEU   9  65.333   3.056   6.077
   70   1HB   LEU   9           HB2      LEU   9  62.521   3.765   5.703
   71   2HB   LEU   9           HB1      LEU   9  63.872   3.973   4.598
   72    HG   LEU   9           HG       LEU   9  62.288   1.413   4.985
   73   1HD1  LEU   9          HD13      LEU   9  62.365   3.454   2.754
   74   2HD1  LEU   9          HD12      LEU   9  61.573   1.883   2.641
   75   3HD1  LEU   9          HD11      LEU   9  60.994   3.081   3.798
   76   1HD2  LEU   9          HD22      LEU   9  64.916   1.882   3.959
   77   2HD2  LEU   9          HD21      LEU   9  64.003   0.373   3.956
   78   3HD2  LEU   9          HD23      LEU   9  63.865   1.491   2.598
   79    H    GLY  10           HN       GLY  10  64.416   1.649   8.626
   80   1HA   GLY  10           HA2      GLY  10  63.627   2.241  10.772
   81   2HA   GLY  10           HA1      GLY  10  64.366   3.805  10.408
   82    H    VAL  11           HN       VAL  11  61.396   1.918   9.837
   83    HA   VAL  11           HA       VAL  11  59.869   4.492   9.934
   84    HB   VAL  11           HB       VAL  11  59.236   2.290   7.974
   85   1HG1  VAL  11          HG11      VAL  11  58.100   4.752   8.618
   86   2HG1  VAL  11          HG13      VAL  11  58.984   5.059   7.123
   87   3HG1  VAL  11          HG12      VAL  11  57.761   3.788   7.181
   88   1HG2  VAL  11          HG22      VAL  11  61.362   4.430   7.712
   89   2HG2  VAL  11          HG21      VAL  11  61.533   2.694   7.448
   90   3HG2  VAL  11          HG23      VAL  11  60.610   3.673   6.308
   91    H    SER  12           HN       SER  12  57.478   2.836   9.091
   92    HA   SER  12           HA       SER  12  57.046   1.223  11.571
   93   1HB   SER  12           HB2      SER  12  55.894   3.734  10.736
   94   2HB   SER  12           HB1      SER  12  54.635   2.505  10.835
   95    HG   SER  12           HG       SER  12  55.297   2.071  12.945
   96    H    LYS  13           HN       LYS  13  56.754   1.498   8.157
   97    HA   LYS  13           HA       LYS  13  56.048  -0.116   6.585
   98   1HB   LYS  13           HB2      LYS  13  56.146  -2.201   7.419
   99   2HB   LYS  13           HB1      LYS  13  56.300  -1.479   9.016
  100   1HG   LYS  13           HG2      LYS  13  53.779  -1.433   9.165
  101   2HG   LYS  13           HG1      LYS  13  53.731  -2.345   7.655
  102   1HD   LYS  13           HD2      LYS  13  54.429  -4.282   8.646
  103   2HD   LYS  13           HD1      LYS  13  55.516  -3.440   9.752
  104   1HE   LYS  13           HE2      LYS  13  53.827  -3.036  11.320
  105   2HE   LYS  13           HE1      LYS  13  52.538  -3.156  10.107
  106   1HZ   LYS  13           HZ2      LYS  13  53.170  -5.513   9.804
  107   2HZ   LYS  13           HZ1      LYS  13  54.251  -5.370  11.107
  108   3HZ   LYS  13           HZ3      LYS  13  52.585  -5.185  11.365
  109    H    THR  14           HN       THR  14  53.791   0.748   9.204
  110    HA   THR  14           HA       THR  14  51.478   0.519   7.381
  111    HB   THR  14           HB       THR  14  50.236   1.110   9.403
  112    HG1  THR  14           HG1      THR  14  51.138   2.357  10.804
  113   1HG2  THR  14          HG23      THR  14  51.709  -1.149   9.140
  114   2HG2  THR  14          HG22      THR  14  52.363  -0.529  10.657
  115   3HG2  THR  14          HG21      THR  14  50.635  -0.848  10.506
  116    H    ALA  15           HN       ALA  15  53.918   2.741   8.192
  117    HA   ALA  15           HA       ALA  15  52.691   5.274   8.148
  118   1HB   ALA  15           HB1      ALA  15  55.304   4.284   6.932
  119   2HB   ALA  15           HB3      ALA  15  54.937   5.970   7.296
  120   3HB   ALA  15           HB2      ALA  15  55.084   4.797   8.606
  121    H    GLU  16           HN       GLU  16  53.772   6.539   5.935
  122    HA   GLU  16           HA       GLU  16  52.652   5.240   3.513
  123   1HB   GLU  16           HB2      GLU  16  51.824   7.932   4.671
  124   2HB   GLU  16           HB1      GLU  16  51.341   7.341   3.078
  125   1HG   GLU  16           HG2      GLU  16  50.232   5.409   4.108
  126   2HG   GLU  16           HG1      GLU  16  50.748   5.947   5.707
  127    H    GLU  17           HN       GLU  17  52.981   8.495   2.988
  128    HA   GLU  17           HA       GLU  17  55.702   8.153   1.874
  129   1HB   GLU  17           HB2      GLU  17  53.305   9.776   1.427
  130   2HB   GLU  17           HB1      GLU  17  54.780  10.743   1.397
  131   1HG   GLU  17           HG2      GLU  17  54.949   8.172  -0.051
  132   2HG   GLU  17           HG1      GLU  17  53.836   9.348  -0.750
  133    H    ARG  18           HN       ARG  18  53.924  10.087   4.228
  134    HA   ARG  18           HA       ARG  18  55.578  12.057   5.046
  135   1HB   ARG  18           HB2      ARG  18  54.760  11.422   7.425
  136   2HB   ARG  18           HB1      ARG  18  53.544  11.738   6.190
  137   1HG   ARG  18           HG2      ARG  18  52.726   9.739   6.991
  138   2HG   ARG  18           HG1      ARG  18  53.834   9.096   5.785
  139   1HD   ARG  18           HD2      ARG  18  54.726   7.915   7.513
  140   2HD   ARG  18           HD1      ARG  18  55.473   9.453   7.994
  141    HE   ARG  18           HE       ARG  18  53.197   8.200   9.306
  142   1HH1  ARG  18          HH21      ARG  18  51.893  10.683   8.571
  143   2HH1  ARG  18          HH22      ARG  18  52.403  11.801   9.792
  144   1HH2  ARG  18          HH11      ARG  18  55.076   9.854  10.836
  145   2HH2  ARG  18          HH12      ARG  18  54.205  11.333  11.071
  146    H    GLU  19           HN       GLU  19  56.148   8.653   6.132
  147    HA   GLU  19           HA       GLU  19  58.720   9.647   7.254
  148   1HB   GLU  19           HB2      GLU  19  56.833   7.694   8.017
  149   2HB   GLU  19           HB1      GLU  19  58.288   6.810   7.539
  150   1HG   GLU  19           HG2      GLU  19  59.567   7.728   9.194
  151   2HG   GLU  19           HG1      GLU  19  58.704   9.265   9.154
  152    H    ILE  20           HN       ILE  20  57.422   7.417   4.849
  153    HA   ILE  20           HA       ILE  20  59.939   6.352   4.062
  154    HB   ILE  20           HB       ILE  20  57.172   6.314   3.294
  155   1HG1  ILE  20          HG12      ILE  20  57.841   4.099   2.438
  156   2HG1  ILE  20          HG11      ILE  20  59.534   4.561   2.610
  157   1HG2  ILE  20          HG23      ILE  20  59.123   6.877   1.086
  158   2HG2  ILE  20          HG22      ILE  20  57.818   5.730   0.796
  159   3HG2  ILE  20          HG21      ILE  20  57.443   7.391   1.251
  160   1HD1  ILE  20          HD13      ILE  20  57.956   5.008   5.042
  161   2HD1  ILE  20          HD12      ILE  20  58.032   3.314   4.560
  162   3HD1  ILE  20          HD11      ILE  20  59.519   4.215   4.847
  163    H    ARG  21           HN       ARG  21  58.477   9.476   3.663
  164    HA   ARG  21           HA       ARG  21  60.181  10.174   1.364
  165   1HB   ARG  21           HB2      ARG  21  58.800  12.059   1.202
  166   2HB   ARG  21           HB1      ARG  21  57.712  10.904   1.961
  167   1HG   ARG  21           HG2      ARG  21  58.285  11.823   4.182
  168   2HG   ARG  21           HG1      ARG  21  59.366  12.989   3.417
  169   1HD   ARG  21           HD2      ARG  21  56.356  12.794   3.029
  170   2HD   ARG  21           HD1      ARG  21  57.243  14.108   3.823
  171    HE   ARG  21           HE       ARG  21  58.406  13.852   1.284
  172   1HH1  ARG  21          HH21      ARG  21  56.690  16.144   2.575
  173   2HH1  ARG  21          HH22      ARG  21  55.565  16.416   1.287
  174   1HH2  ARG  21          HH11      ARG  21  56.352  13.481  -0.380
  175   2HH2  ARG  21          HH12      ARG  21  55.373  14.910  -0.384
  176    H    LYS  22           HN       LYS  22  60.262  10.409   4.798
  177    HA   LYS  22           HA       LYS  22  62.537  12.328   4.703
  178   1HB   LYS  22           HB2      LYS  22  60.296  12.256   6.264
  179   2HB   LYS  22           HB1      LYS  22  61.405  11.317   7.265
  180   1HG   LYS  22           HG2      LYS  22  62.180  13.990   6.084
  181   2HG   LYS  22           HG1      LYS  22  61.389  13.854   7.654
  182   1HD   LYS  22           HD2      LYS  22  64.048  12.652   6.837
  183   2HD   LYS  22           HD1      LYS  22  63.772  13.910   8.043
  184   1HE   LYS  22           HE2      LYS  22  62.182  12.036   9.105
  185   2HE   LYS  22           HE1      LYS  22  63.307  10.964   8.249
  186   1HZ   LYS  22           HZ1      LYS  22  64.471  13.234   9.653
  187   2HZ   LYS  22           HZ3      LYS  22  63.861  11.988  10.628
  188   3HZ   LYS  22           HZ2      LYS  22  65.062  11.651   9.473
  189    H    ALA  23           HN       ALA  23  61.495   9.077   5.315
  190    HA   ALA  23           HA       ALA  23  63.990   8.205   6.619
  191   1HB   ALA  23           HB2      ALA  23  61.552   7.326   6.848
  192   2HB   ALA  23           HB1      ALA  23  61.864   6.489   5.327
  193   3HB   ALA  23           HB3      ALA  23  62.843   6.131   6.748
  194    H    TYR  24           HN       TYR  24  62.416   7.800   3.435
  195    HA   TYR  24           HA       TYR  24  64.417   6.223   2.170
  196   1HB   TYR  24           HB2      TYR  24  62.227   6.600   1.195
  197   2HB   TYR  24           HB1      TYR  24  62.490   8.343   1.172
  198    HD1  TYR  24           HD1      TYR  24  64.524   9.208  -0.197
  199    HD2  TYR  24           HD2      TYR  24  62.779   5.318  -0.703
  200    HE1  TYR  24           HE1      TYR  24  65.544   9.042  -2.451
  201    HE2  TYR  24           HE2      TYR  24  63.802   5.150  -2.955
  202    HH   TYR  24           HH       TYR  24  64.665   6.592  -4.691
  203    H    LYS  25           HN       LYS  25  63.986   9.752   2.347
  204    HA   LYS  25           HA       LYS  25  66.433  10.365   0.899
  205   1HB   LYS  25           HB2      LYS  25  64.616  11.898   0.794
  206   2HB   LYS  25           HB1      LYS  25  64.403  11.882   2.545
  207   1HG   LYS  25           HG2      LYS  25  66.692  12.913   2.757
  208   2HG   LYS  25           HG1      LYS  25  66.716  13.085   1.002
  209   1HD   LYS  25           HD2      LYS  25  64.222  14.090   2.065
  210   2HD   LYS  25           HD1      LYS  25  65.585  14.875   2.865
  211   1HE   LYS  25           HE2      LYS  25  66.398  14.862   0.224
  212   2HE   LYS  25           HE1      LYS  25  64.652  15.154   0.091
  213   1HZ   LYS  25           HZ1      LYS  25  65.185  16.671   2.171
  214   2HZ   LYS  25           HZ3      LYS  25  66.703  16.755   1.421
  215   3HZ   LYS  25           HZ2      LYS  25  65.314  17.257   0.581
  216    H    ARG  26           HN       ARG  26  65.475  10.261   4.351
  217    HA   ARG  26           HA       ARG  26  67.926  11.403   5.355
  218   1HB   ARG  26           HB2      ARG  26  65.924  11.277   6.699
  219   2HB   ARG  26           HB1      ARG  26  65.869   9.521   6.537
  220   1HG   ARG  26           HG2      ARG  26  66.812   9.953   8.694
  221   2HG   ARG  26           HG1      ARG  26  68.158   9.473   7.659
  222   1HD   ARG  26           HD2      ARG  26  69.178  11.414   8.235
  223   2HD   ARG  26           HD1      ARG  26  67.909  12.274   7.340
  224    HE   ARG  26           HE       ARG  26  67.397  11.419  10.153
  225   1HH1  ARG  26          HH21      ARG  26  66.442  13.438   7.678
  226   2HH1  ARG  26          HH22      ARG  26  66.335  14.876   8.638
  227   1HH2  ARG  26          HH11      ARG  26  67.817  13.439  11.426
  228   2HH2  ARG  26          HH12      ARG  26  67.114  14.877  10.762
  229    H    LEU  27           HN       LEU  27  67.003   8.026   4.665
  230    HA   LEU  27           HA       LEU  27  69.610   7.066   5.682
  231   1HB   LEU  27           HB2      LEU  27  66.975   6.068   5.314
  232   2HB   LEU  27           HB1      LEU  27  68.053   5.088   4.318
  233    HG   LEU  27           HG       LEU  27  67.796   4.270   6.703
  234   1HD1  LEU  27          HD13      LEU  27  69.779   3.763   5.245
  235   2HD1  LEU  27          HD12      LEU  27  70.596   5.160   5.946
  236   3HD1  LEU  27          HD11      LEU  27  70.165   3.787   6.966
  237   1HD2  LEU  27          HD21      LEU  27  68.417   7.032   7.198
  238   2HD2  LEU  27          HD23      LEU  27  67.998   5.780   8.366
  239   3HD2  LEU  27          HD22      LEU  27  69.682   6.031   7.909
  240    H    ALA  28           HN       ALA  28  68.014   7.626   2.572
  241    HA   ALA  28           HA       ALA  28  69.987   6.162   1.019
  242   1HB   ALA  28           HB3      ALA  28  67.656   6.684   0.313
  243   2HB   ALA  28           HB2      ALA  28  68.091   8.391   0.249
  244   3HB   ALA  28           HB1      ALA  28  68.855   7.244  -0.851
  245    H    MET  29           HN       MET  29  69.630   9.440   2.235
  246    HA   MET  29           HA       MET  29  71.378  10.931   0.660
  247   1HB   MET  29           HB2      MET  29  70.085  11.483   2.799
  248   2HB   MET  29           HB1      MET  29  71.474  10.825   3.666
  249   1HG   MET  29           HG2      MET  29  72.548  12.781   3.422
  250   2HG   MET  29           HG1      MET  29  72.479  12.581   1.672
  251   1HE   MET  29           HE2      MET  29  72.682  14.893   3.471
  252   2HE   MET  29           HE1      MET  29  72.181  15.830   2.066
  253   3HE   MET  29           HE3      MET  29  71.321  16.003   3.602
  254    H    LYS  30           HN       LYS  30  72.123   8.744   3.305
  255    HA   LYS  30           HA       LYS  30  74.911   8.897   3.481
  256   1HB   LYS  30           HB2      LYS  30  72.692   7.150   4.127
  257   2HB   LYS  30           HB1      LYS  30  74.108   6.198   3.671
  258   1HG   LYS  30           HG2      LYS  30  74.781   6.515   5.815
  259   2HG   LYS  30           HG1      LYS  30  75.231   8.130   5.269
  260   1HD   LYS  30           HD2      LYS  30  72.454   7.479   6.273
  261   2HD   LYS  30           HD1      LYS  30  73.742   8.033   7.345
  262   1HE   LYS  30           HE2      LYS  30  73.948   9.900   5.382
  263   2HE   LYS  30           HE1      LYS  30  72.208   9.553   5.307
  264   1HZ   LYS  30           HZ1      LYS  30  73.642   9.983   7.865
  265   2HZ   LYS  30           HZ3      LYS  30  72.910  11.255   7.015
  266   3HZ   LYS  30           HZ2      LYS  30  71.964   9.970   7.596
  267    H    TYR  31           HN       TYR  31  72.910   7.732   0.923
  268    HA   TYR  31           HA       TYR  31  75.333   6.598  -0.450
  269   1HB   TYR  31           HB2      TYR  31  72.514   5.562  -0.765
  270   2HB   TYR  31           HB1      TYR  31  74.035   4.736  -1.127
  271    HD1  TYR  31           HD1      TYR  31  75.706   4.669   1.005
  272    HD2  TYR  31           HD2      TYR  31  71.421   4.904   1.187
  273    HE1  TYR  31           HE1      TYR  31  75.754   3.723   3.298
  274    HE2  TYR  31           HE2      TYR  31  71.468   3.956   3.481
  275    HH   TYR  31           HH       TYR  31  73.750   3.980   5.431
  276    H    HIS  32           HN       HIS  32  72.451   8.562  -0.698
  277    HA   HIS  32           HA       HIS  32  71.576   8.833  -3.195
  278   1HB   HIS  32           HB2      HIS  32  72.298  10.627  -1.068
  279   2HB   HIS  32           HB1      HIS  32  72.602  11.418  -2.619
  280    HD1  HIS  32           HD1      HIS  32  70.488  12.963  -2.095
  281    HD2  HIS  32           HD2      HIS  32  69.632   8.915  -2.616
  282    HE1  HIS  32           HE1      HIS  32  67.985  12.798  -2.443
  283    HA   PRO  33           HA       PRO  33  75.562   8.496  -5.400
  284   1HB   PRO  33           HB2      PRO  33  74.371   7.652  -7.727
  285   2HB   PRO  33           HB1      PRO  33  74.789   6.564  -6.387
  286   1HG   PRO  33           HG2      PRO  33  72.165   7.845  -7.027
  287   2HG   PRO  33           HG1      PRO  33  72.518   6.163  -6.584
  288   1HD   PRO  33           HD2      PRO  33  71.585   7.870  -4.771
  289   2HD   PRO  33           HD1      PRO  33  72.839   6.683  -4.340
  290    H    ASP  34           HN       ASP  34  72.560  10.173  -6.277
  291    HA   ASP  34           HA       ASP  34  73.167  11.651  -8.527
  292   1HB   ASP  34           HB2      ASP  34  71.124  12.018  -7.319
  293   2HB   ASP  34           HB1      ASP  34  71.995  12.484  -5.857
  294    H    ARG  35           HN       ARG  35  74.449  12.144  -5.264
  295    HA   ARG  35           HA       ARG  35  76.407  14.143  -6.271
  296   1HB   ARG  35           HB2      ARG  35  76.409  14.865  -4.017
  297   2HB   ARG  35           HB1      ARG  35  74.732  14.414  -4.277
  298   1HG   ARG  35           HG2      ARG  35  75.126  12.235  -3.229
  299   2HG   ARG  35           HG1      ARG  35  76.842  12.598  -3.047
  300   1HD   ARG  35           HD2      ARG  35  75.790  13.049  -0.912
  301   2HD   ARG  35           HD1      ARG  35  76.139  14.624  -1.651
  302    HE   ARG  35           HE       ARG  35  73.483  13.426  -2.211
  303   1HH1  ARG  35          HH11      ARG  35  72.786  15.821  -2.850
  304   2HH1  ARG  35          HH12      ARG  35  72.642  16.822  -1.444
  305   1HH2  ARG  35          HH21      ARG  35  74.441  14.678   0.601
  306   2HH2  ARG  35          HH22      ARG  35  73.571  16.172   0.510
  307    H    ASN  36           HN       ASN  36  75.926  10.990  -4.895
  308    HA   ASN  36           HA       ASN  36  78.794  10.540  -4.345
  309   1HB   ASN  36           HB2      ASN  36  76.141   9.239  -3.787
  310   2HB   ASN  36           HB1      ASN  36  77.613   8.279  -3.655
  311   1HD2  ASN  36          HD22      ASN  36  78.673   9.778  -0.651
  312   2HD2  ASN  36          HD21      ASN  36  78.995   8.633  -1.861
  313    H    GLN  37           HN       GLN  37  78.187  10.836  -7.177
  314    HA   GLN  37           HA       GLN  37  77.911   8.155  -8.313
  315   1HB   GLN  37           HB2      GLN  37  78.594  10.891  -9.394
  316   2HB   GLN  37           HB1      GLN  37  78.574   9.458 -10.421
  317   1HG   GLN  37           HG2      GLN  37  76.344   9.628 -10.614
  318   2HG   GLN  37           HG1      GLN  37  76.184   9.436  -8.868
  319   1HE2  GLN  37          HE22      GLN  37  74.778  12.779  -9.917
  320   2HE2  GLN  37          HE21      GLN  37  74.470  11.184 -10.410
  321    H    GLY  38           HN       GLY  38  80.394   9.577  -6.652
  322   1HA   GLY  38           HA2      GLY  38  82.698   9.044  -8.251
  323   2HA   GLY  38           HA1      GLY  38  82.682   9.042  -6.481
  324    H    ASP  39           HN       ASP  39  80.396   7.016  -6.735
  325    HA   ASP  39           HA       ASP  39  81.996   4.597  -7.462
  326   1HB   ASP  39           HB2      ASP  39  81.577   5.467  -4.907
  327   2HB   ASP  39           HB1      ASP  39  80.148   4.459  -5.141
  328    H    LYS  40           HN       LYS  40  78.813   6.039  -6.809
  329    HA   LYS  40           HA       LYS  40  76.705   5.632  -7.773
  330   1HB   LYS  40           HB2      LYS  40  78.357   4.036  -9.653
  331   2HB   LYS  40           HB1      LYS  40  76.793   4.744 -10.009
  332   1HG   LYS  40           HG2      LYS  40  77.728   6.968  -9.699
  333   2HG   LYS  40           HG1      LYS  40  79.280   6.275  -9.236
  334   1HD   LYS  40           HD2      LYS  40  78.700   5.077 -11.692
  335   2HD   LYS  40           HD1      LYS  40  78.204   6.757 -11.903
  336   1HE   LYS  40           HE2      LYS  40  80.381   7.577 -11.343
  337   2HE   LYS  40           HE1      LYS  40  80.892   5.994 -10.723
  338   1HZ   LYS  40           HZ3      LYS  40  79.902   6.271 -13.488
  339   2HZ   LYS  40           HZ2      LYS  40  81.523   6.625 -13.125
  340   3HZ   LYS  40           HZ1      LYS  40  80.905   5.071 -12.831
  341    H    GLU  41           HN       GLU  41  78.535   3.364  -6.302
  342    HA   GLU  41           HA       GLU  41  77.193   0.884  -6.834
  343   1HB   GLU  41           HB2      GLU  41  78.287   0.216  -4.723
  344   2HB   GLU  41           HB1      GLU  41  79.396   1.172  -5.706
  345   1HG   GLU  41           HG2      GLU  41  78.859   3.181  -4.409
  346   2HG   GLU  41           HG1      GLU  41  77.689   2.269  -3.452
  347    H    ALA  42           HN       ALA  42  76.141   3.736  -5.299
  348    HA   ALA  42           HA       ALA  42  74.325   2.539  -3.351
  349   1HB   ALA  42           HB1      ALA  42  75.397   4.915  -3.484
  350   2HB   ALA  42           HB3      ALA  42  74.101   5.271  -4.626
  351   3HB   ALA  42           HB2      ALA  42  73.714   4.803  -2.971
  352    H    GLU  43           HN       GLU  43  74.318   3.325  -6.725
  353    HA   GLU  43           HA       GLU  43  71.701   3.654  -7.507
  354   1HB   GLU  43           HB2      GLU  43  73.666   3.489  -8.974
  355   2HB   GLU  43           HB1      GLU  43  73.814   1.770  -8.609
  356   1HG   GLU  43           HG2      GLU  43  71.864   1.217  -9.807
  357   2HG   GLU  43           HG1      GLU  43  71.250   2.870  -9.746
  358    H    ALA  44           HN       ALA  44  73.195   0.695  -6.257
  359    HA   ALA  44           HA       ALA  44  70.827  -0.986  -6.747
  360   1HB   ALA  44           HB2      ALA  44  73.594  -1.195  -5.775
  361   2HB   ALA  44           HB1      ALA  44  72.475  -2.208  -4.862
  362   3HB   ALA  44           HB3      ALA  44  72.610  -2.398  -6.609
  363    H    LYS  45           HN       LYS  45  72.320   0.657  -3.922
  364    HA   LYS  45           HA       LYS  45  70.681  -0.316  -1.886
  365   1HB   LYS  45           HB2      LYS  45  72.421   1.884  -2.337
  366   2HB   LYS  45           HB1      LYS  45  70.948   2.529  -1.597
  367   1HG   LYS  45           HG2      LYS  45  71.596   1.704   0.388
  368   2HG   LYS  45           HG1      LYS  45  71.564   0.074  -0.292
  369   1HD   LYS  45           HD2      LYS  45  73.891   1.534  -1.217
  370   2HD   LYS  45           HD1      LYS  45  73.836   1.486   0.546
  371   1HE   LYS  45           HE2      LYS  45  73.669  -0.937   0.542
  372   2HE   LYS  45           HE1      LYS  45  73.506  -0.959  -1.226
  373   1HZ   LYS  45           HZ1      LYS  45  75.788   0.440  -0.011
  374   2HZ   LYS  45           HZ3      LYS  45  75.844  -1.250  -0.142
  375   3HZ   LYS  45           HZ2      LYS  45  75.665  -0.298  -1.537
  376    H    PHE  46           HN       PHE  46  69.811   1.892  -4.508
  377    HA   PHE  46           HA       PHE  46  67.369   2.914  -3.449
  378   1HB   PHE  46           HB2      PHE  46  68.500   2.267  -6.159
  379   2HB   PHE  46           HB1      PHE  46  66.787   2.664  -6.050
  380    HD1  PHE  46           HD1      PHE  46  68.748   4.174  -3.448
  381    HD2  PHE  46           HD2      PHE  46  67.517   4.653  -7.537
  382    HE1  PHE  46           HE1      PHE  46  69.311   6.585  -3.336
  383    HE2  PHE  46           HE2      PHE  46  68.080   7.064  -7.423
  384    HZ   PHE  46           HZ       PHE  46  68.976   8.032  -5.324
  385    H    LYS  47           HN       LYS  47  68.262  -0.200  -4.777
  386    HA   LYS  47           HA       LYS  47  65.644  -1.293  -4.964
  387   1HB   LYS  47           HB2      LYS  47  66.855  -3.227  -5.599
  388   2HB   LYS  47           HB1      LYS  47  67.996  -1.946  -5.991
  389   1HG   LYS  47           HG2      LYS  47  69.489  -2.882  -4.625
  390   2HG   LYS  47           HG1      LYS  47  68.397  -2.662  -3.260
  391   1HD   LYS  47           HD2      LYS  47  67.967  -4.896  -5.213
  392   2HD   LYS  47           HD1      LYS  47  69.119  -5.076  -3.888
  393   1HE   LYS  47           HE2      LYS  47  67.078  -4.133  -2.454
  394   2HE   LYS  47           HE1      LYS  47  66.139  -4.833  -3.788
  395   1HZ   LYS  47           HZ2      LYS  47  67.839  -6.781  -3.461
  396   2HZ   LYS  47           HZ1      LYS  47  67.931  -6.161  -1.881
  397   3HZ   LYS  47           HZ3      LYS  47  66.442  -6.683  -2.500
  398    H    GLU  48           HN       GLU  48  67.597  -0.381  -2.366
  399    HA   GLU  48           HA       GLU  48  66.528  -2.409  -0.543
  400   1HB   GLU  48           HB2      GLU  48  68.384  -0.051  -0.110
  401   2HB   GLU  48           HB1      GLU  48  68.039  -1.298   1.086
  402   1HG   GLU  48           HG2      GLU  48  69.051  -2.085  -1.632
  403   2HG   GLU  48           HG1      GLU  48  70.184  -1.522  -0.405
  404    H    ILE  49           HN       ILE  49  66.213   1.023  -1.280
  405    HA   ILE  49           HA       ILE  49  64.025   1.191   0.757
  406    HB   ILE  49           HB       ILE  49  65.621   3.312  -0.698
  407   1HG1  ILE  49          HG12      ILE  49  66.226   3.494   1.974
  408   2HG1  ILE  49          HG11      ILE  49  66.097   1.745   1.740
  409   1HG2  ILE  49          HG23      ILE  49  63.204   3.739   0.177
  410   2HG2  ILE  49          HG22      ILE  49  63.965   3.720   1.768
  411   3HG2  ILE  49          HG21      ILE  49  64.476   4.898   0.561
  412   1HD1  ILE  49          HD13      ILE  49  67.444   2.396  -0.497
  413   2HD1  ILE  49          HD12      ILE  49  68.027   3.671   0.574
  414   3HD1  ILE  49          HD11      ILE  49  68.251   1.976   1.014
  415    H    LYS  50           HN       LYS  50  64.934   2.076  -2.583
  416    HA   LYS  50           HA       LYS  50  62.286   3.047  -3.174
  417   1HB   LYS  50           HB2      LYS  50  64.709   3.397  -4.260
  418   2HB   LYS  50           HB1      LYS  50  64.168   2.075  -5.295
  419   1HG   LYS  50           HG2      LYS  50  62.524   4.571  -4.808
  420   2HG   LYS  50           HG1      LYS  50  63.632   4.394  -6.170
  421   1HD   LYS  50           HD2      LYS  50  62.234   2.063  -6.359
  422   2HD   LYS  50           HD1      LYS  50  60.993   3.136  -5.711
  423   1HE   LYS  50           HE2      LYS  50  60.703   3.957  -7.804
  424   2HE   LYS  50           HE1      LYS  50  62.351   4.611  -7.727
  425   1HZ   LYS  50           HZ3      LYS  50  63.203   2.448  -8.399
  426   2HZ   LYS  50           HZ2      LYS  50  61.623   1.830  -8.496
  427   3HZ   LYS  50           HZ1      LYS  50  62.129   3.047  -9.567
  428    H    GLU  51           HN       GLU  51  63.852  -0.093  -3.214
  429    HA   GLU  51           HA       GLU  51  61.695  -1.260  -4.890
  430   1HB   GLU  51           HB2      GLU  51  63.630  -2.384  -5.382
  431   2HB   GLU  51           HB1      GLU  51  64.374  -1.832  -3.904
  432   1HG   GLU  51           HG2      GLU  51  64.216  -4.247  -3.808
  433   2HG   GLU  51           HG1      GLU  51  63.088  -3.563  -2.637
  434    H    ALA  52           HN       ALA  52  62.724  -0.899  -1.571
  435    HA   ALA  52           HA       ALA  52  60.687  -2.745  -0.477
  436   1HB   ALA  52           HB1      ALA  52  62.825  -0.899   0.622
  437   2HB   ALA  52           HB3      ALA  52  61.730  -1.790   1.673
  438   3HB   ALA  52           HB2      ALA  52  62.834  -2.663   0.610
  439    H    TYR  53           HN       TYR  53  61.544   0.685  -0.055
  440    HA   TYR  53           HA       TYR  53  59.053   1.448   1.156
  441   1HB   TYR  53           HB2      TYR  53  60.362   3.193   1.652
  442   2HB   TYR  53           HB1      TYR  53  61.645   2.422   0.751
  443    HD1  TYR  53           HD2      TYR  53  60.799   2.755  -2.043
  444    HD2  TYR  53           HD1      TYR  53  60.477   5.457   1.274
  445    HE1  TYR  53           HE2      TYR  53  60.891   4.671  -3.599
  446    HE2  TYR  53           HE1      TYR  53  60.575   7.379  -0.279
  447    HH   TYR  53           HH       TYR  53  61.674   7.568  -2.914
  448    H    GLU  54           HN       GLU  54  59.614   0.593  -2.024
  449    HA   GLU  54           HA       GLU  54  58.102   2.635  -3.412
  450   1HB   GLU  54           HB2      GLU  54  59.268   1.404  -4.944
  451   2HB   GLU  54           HB1      GLU  54  59.303  -0.021  -3.909
  452   1HG   GLU  54           HG2      GLU  54  57.279  -0.829  -4.731
  453   2HG   GLU  54           HG1      GLU  54  56.709   0.775  -5.190
  454    H    VAL  55           HN       VAL  55  57.282  -0.139  -1.468
  455    HA   VAL  55           HA       VAL  55  54.417   0.168  -2.238
  456    HB   VAL  55           HB       VAL  55  54.394  -2.081  -2.363
  457   1HG1  VAL  55          HG11      VAL  55  56.874  -1.656  -2.928
  458   2HG1  VAL  55          HG13      VAL  55  57.202  -2.322  -1.328
  459   3HG1  VAL  55          HG12      VAL  55  56.382  -3.302  -2.542
  460   1HG2  VAL  55          HG22      VAL  55  53.971  -1.982   0.139
  461   2HG2  VAL  55          HG21      VAL  55  54.664  -3.490  -0.431
  462   3HG2  VAL  55          HG23      VAL  55  55.689  -2.301   0.364
  463    H    LEU  56           HN       LEU  56  56.563   1.039   0.123
  464    HA   LEU  56           HA       LEU  56  55.100   0.558   2.542
  465   1HB   LEU  56           HB2      LEU  56  57.312   2.231   1.501
  466   2HB   LEU  56           HB1      LEU  56  56.576   2.778   3.013
  467    HG   LEU  56           HG       LEU  56  57.632  -0.019   2.492
  468   1HD1  LEU  56          HD11      LEU  56  59.096   2.271   3.002
  469   2HD1  LEU  56          HD13      LEU  56  58.862   1.590   4.613
  470   3HD1  LEU  56          HD12      LEU  56  59.624   0.625   3.349
  471   1HD2  LEU  56          HD21      LEU  56  55.801   1.033   4.430
  472   2HD2  LEU  56          HD23      LEU  56  56.438  -0.606   4.307
  473   3HD2  LEU  56          HD22      LEU  56  57.300   0.605   5.256
  474    H    THR  57           HN       THR  57  54.226   2.425  -0.112
  475    HA   THR  57           HA       THR  57  52.742   4.427   1.538
  476    HB   THR  57           HB       THR  57  53.383   5.848  -0.118
  477    HG1  THR  57           HG1      THR  57  52.147   4.021  -1.898
  478   1HG2  THR  57          HG23      THR  57  55.322   4.304  -0.448
  479   2HG2  THR  57          HG22      THR  57  54.393   3.453  -1.682
  480   3HG2  THR  57          HG21      THR  57  54.854   5.137  -1.930
  481    H    ASP  58           HN       ASP  58  52.414   1.681  -0.575
  482    HA   ASP  58           HA       ASP  58  49.468   2.064  -0.815
  483   1HB   ASP  58           HB2      ASP  58  51.043   1.566  -2.755
  484   2HB   ASP  58           HB1      ASP  58  51.281  -0.034  -2.043
  485    H    SER  59           HN       SER  59  48.324  -0.257  -0.750
  486    HA   SER  59           HA       SER  59  49.191  -1.588   1.795
  487   1HB   SER  59           HB2      SER  59  46.923  -1.699   2.358
  488   2HB   SER  59           HB1      SER  59  46.982  -0.181   1.467
  489    HG   SER  59           HG       SER  59  45.429  -2.128   0.931
  490    H    GLN  60           HN       GLN  60  47.420  -2.218  -1.258
  491    HA   GLN  60           HA       GLN  60  47.271  -5.003  -1.205
  492   1HB   GLN  60           HB2      GLN  60  47.179  -4.795  -3.637
  493   2HB   GLN  60           HB1      GLN  60  46.377  -3.399  -2.913
  494   1HG   GLN  60           HG2      GLN  60  48.810  -2.358  -3.029
  495   2HG   GLN  60           HG1      GLN  60  49.017  -3.548  -4.315
  496   1HE2  GLN  60          HE22      GLN  60  46.007  -0.789  -4.885
  497   2HE2  GLN  60          HE21      GLN  60  46.254  -1.431  -3.333
  498    H    LYS  61           HN       LYS  61  50.116  -2.994  -1.857
  499    HA   LYS  61           HA       LYS  61  51.758  -5.248  -2.746
  500   1HB   LYS  61           HB2      LYS  61  52.618  -2.506  -1.798
  501   2HB   LYS  61           HB1      LYS  61  53.446  -3.561  -2.938
  502   1HG   LYS  61           HG2      LYS  61  51.777  -3.211  -4.618
  503   2HG   LYS  61           HG1      LYS  61  50.699  -2.414  -3.474
  504   1HD   LYS  61           HD2      LYS  61  51.685  -0.421  -3.850
  505   2HD   LYS  61           HD1      LYS  61  53.272  -1.096  -3.480
  506   1HE   LYS  61           HE2      LYS  61  53.001  -2.175  -5.901
  507   2HE   LYS  61           HE1      LYS  61  51.930  -0.780  -6.133
  508   1HZ   LYS  61           HZ1      LYS  61  53.708   0.622  -5.166
  509   2HZ   LYS  61           HZ3      LYS  61  54.739  -0.727  -5.164
  510   3HZ   LYS  61           HZ2      LYS  61  54.160  -0.104  -6.635
  511    H    ARG  62           HN       ARG  62  51.302  -3.283   0.172
  512    HA   ARG  62           HA       ARG  62  53.360  -4.122   1.835
  513   1HB   ARG  62           HB2      ARG  62  50.392  -3.789   2.392
  514   2HB   ARG  62           HB1      ARG  62  51.633  -3.826   3.645
  515   1HG   ARG  62           HG2      ARG  62  51.665  -1.867   1.336
  516   2HG   ARG  62           HG1      ARG  62  50.948  -1.500   2.904
  517   1HD   ARG  62           HD2      ARG  62  53.718  -2.600   2.954
  518   2HD   ARG  62           HD1      ARG  62  53.528  -0.938   2.360
  519    HE   ARG  62           HE       ARG  62  52.931  -0.302   4.555
  520   1HH1  ARG  62          HH11      ARG  62  53.861  -3.452   4.772
  521   2HH1  ARG  62          HH12      ARG  62  52.824  -3.885   6.089
  522   1HH2  ARG  62          HH21      ARG  62  50.988  -0.947   5.958
  523   2HH2  ARG  62          HH22      ARG  62  51.197  -2.468   6.760
  524    H    ALA  63           HN       ALA  63  50.665  -5.974   0.601
  525    HA   ALA  63           HA       ALA  63  51.196  -8.264   2.404
  526   1HB   ALA  63           HB1      ALA  63  48.950  -7.210   1.312
  527   2HB   ALA  63           HB3      ALA  63  49.341  -8.400   0.070
  528   3HB   ALA  63           HB2      ALA  63  49.081  -8.917   1.736
  529    H    ALA  64           HN       ALA  64  51.741  -7.179  -0.882
  530    HA   ALA  64           HA       ALA  64  52.717  -9.798  -1.832
  531   1HB   ALA  64           HB1      ALA  64  51.430  -8.208  -3.246
  532   2HB   ALA  64           HB3      ALA  64  52.699  -7.003  -3.028
  533   3HB   ALA  64           HB2      ALA  64  53.038  -8.489  -3.915
  534    H    TYR  65           HN       TYR  65  54.028  -6.535  -1.316
  535    HA   TYR  65           HA       TYR  65  56.761  -7.192  -1.868
  536   1HB   TYR  65           HB2      TYR  65  56.781  -4.950  -1.802
  537   2HB   TYR  65           HB1      TYR  65  55.100  -4.976  -1.303
  538    HD1  TYR  65           HD2      TYR  65  54.706  -5.351   1.280
  539    HD2  TYR  65           HD1      TYR  65  58.403  -3.994  -0.431
  540    HE1  TYR  65           HE2      TYR  65  55.379  -4.417   3.477
  541    HE2  TYR  65           HE1      TYR  65  59.075  -3.058   1.762
  542    HH   TYR  65           HH       TYR  65  58.123  -2.340   3.826
  543    H    ASP  66           HN       ASP  66  54.866  -7.238   1.125
  544    HA   ASP  66           HA       ASP  66  57.136  -7.382   2.852
  545   1HB   ASP  66           HB2      ASP  66  55.474  -7.864   4.545
  546   2HB   ASP  66           HB1      ASP  66  54.761  -6.724   3.405
  547    H    GLN  67           HN       GLN  67  55.818  -9.748   0.740
  548    HA   GLN  67           HA       GLN  67  57.432 -11.845   2.133
  549   1HB   GLN  67           HB2      GLN  67  54.503 -11.834   1.442
  550   2HB   GLN  67           HB1      GLN  67  55.383 -13.360   1.538
  551   1HG   GLN  67           HG2      GLN  67  56.197 -11.995   3.822
  552   2HG   GLN  67           HG1      GLN  67  54.481 -11.606   3.693
  553   1HE2  GLN  67          HE22      GLN  67  54.966 -14.916   5.483
  554   2HE2  GLN  67          HE21      GLN  67  55.641 -13.377   5.726
  555    H    TYR  68           HN       TYR  68  55.649 -10.914  -0.818
  556    HA   TYR  68           HA       TYR  68  57.070 -12.978  -2.389
  557   1HB   TYR  68           HB2      TYR  68  54.845 -10.999  -2.785
  558   2HB   TYR  68           HB1      TYR  68  55.640 -11.690  -4.205
  559    HD1  TYR  68           HD1      TYR  68  55.625 -14.144  -4.587
  560    HD2  TYR  68           HD2      TYR  68  53.428 -12.343  -1.364
  561    HE1  TYR  68           HE1      TYR  68  54.306 -16.228  -4.322
  562    HE2  TYR  68           HE2      TYR  68  52.108 -14.428  -1.098
  563    HH   TYR  68           HH       TYR  68  52.478 -16.923  -1.640
  564    H    GLY  69           HN       GLY  69  58.822 -11.037  -1.253
  565   1HA   GLY  69           HA2      GLY  69  60.388  -9.360  -1.823
  566   2HA   GLY  69           HA1      GLY  69  60.545 -10.342  -3.280
  567    H    HIS  70           HN       HIS  70  59.983  -9.390  -5.184
  568    HA   HIS  70           HA       HIS  70  58.364  -6.867  -5.043
  569   1HB   HIS  70           HB2      HIS  70  60.858  -6.840  -5.653
  570   2HB   HIS  70           HB1      HIS  70  60.377  -7.627  -7.157
  571    HD1  HIS  70           HD1      HIS  70  57.793  -5.352  -5.965
  572    HD2  HIS  70           HD2      HIS  70  61.238  -4.993  -8.287
  573    HE1  HIS  70           HE1      HIS  70  57.602  -3.146  -7.193
  574    H    ALA  71           HN       ALA  71  56.400  -8.100  -5.398
  575    HA   ALA  71           HA       ALA  71  54.730  -9.050  -6.785
  576   1HB   ALA  71           HB1      ALA  71  56.436  -7.216  -8.276
  577   2HB   ALA  71           HB3      ALA  71  55.724  -8.437  -9.331
  578   3HB   ALA  71           HB2      ALA  71  54.685  -7.407  -8.346
  579    H    ALA  72           HN       ALA  72  57.261 -10.600  -6.114
  580    HA   ALA  72           HA       ALA  72  58.426 -12.153  -8.037
  581   1HB   ALA  72           HB3      ALA  72  57.055 -13.097  -5.498
  582   2HB   ALA  72           HB2      ALA  72  58.306 -13.992  -6.359
  583   3HB   ALA  72           HB1      ALA  72  58.687 -12.441  -5.612
  584    H    PHE  73           HN       PHE  73  55.265 -13.108  -6.618
  585    HA   PHE  73           HA       PHE  73  54.678 -14.555  -9.177
  586   1HB   PHE  73           HB2      PHE  73  54.542 -15.202  -6.378
  587   2HB   PHE  73           HB1      PHE  73  52.917 -15.282  -7.058
  588    HD1  PHE  73           HD2      PHE  73  52.480 -16.712  -9.077
  589    HD2  PHE  73           HD1      PHE  73  56.211 -16.820  -6.951
  590    HE1  PHE  73           HE2      PHE  73  53.033 -18.875 -10.158
  591    HE2  PHE  73           HE1      PHE  73  56.764 -18.982  -8.031
  592    HZ   PHE  73           HZ       PHE  73  55.175 -20.009  -9.635
  593    H    GLU  74           HN       GLU  74  53.676 -12.823 -10.321
  594    HA   GLU  74           HA       GLU  74  51.002 -12.027  -9.264
  595   1HB   GLU  74           HB2      GLU  74  53.247 -10.430  -9.081
  596   2HB   GLU  74           HB1      GLU  74  52.515  -9.875 -10.586
  597   1HG   GLU  74           HG2      GLU  74  51.523  -8.551  -8.865
  598   2HG   GLU  74           HG1      GLU  74  50.306  -9.752  -9.302
  599    H    GLN  75           HN       GLN  75  49.716 -12.878 -10.882
  600    HA   GLN  75           HA       GLN  75  50.617 -12.738 -13.709
  601   1HB   GLN  75           HB2      GLN  75  49.614 -14.781 -12.528
  602   2HB   GLN  75           HB1      GLN  75  48.077 -13.916 -12.560
  603   1HG   GLN  75           HG2      GLN  75  49.085 -13.668 -15.163
  604   2HG   GLN  75           HG1      GLN  75  49.420 -15.340 -14.707
  605   1HE2  GLN  75          HE22      GLN  75  45.468 -14.248 -14.373
  606   2HE2  GLN  75          HE21      GLN  75  46.668 -13.211 -13.767
  607    H    GLY  76           HN       GLY  76  47.764 -11.811 -11.753
  608   1HA   GLY  76           HA2      GLY  76  47.296  -9.588 -13.694
  609   2HA   GLY  76           HA1      GLY  76  45.955 -10.589 -13.135
  610    H    GLY  77           HN       GLY  77  48.730  -9.163 -11.386
  611   1HA   GLY  77           HA2      GLY  77  46.968  -8.380  -9.190
  612   2HA   GLY  77           HA1      GLY  77  48.704  -8.078  -9.283
   
  No H/Q in entry =         612
  Start of MODEL    2
    1   1H    ALA   1           HT2      ALA   1  68.977 -12.577   9.595
    2   2H    ALA   1           HT1      ALA   1  69.870 -13.882  10.219
    3   3H    ALA   1           HT3      ALA   1  70.674 -12.570   9.506
    4    HA   ALA   1           HA       ALA   1  70.727 -14.225   7.859
    5   1HB   ALA   1           HB2      ALA   1  68.261 -14.882   9.275
    6   2HB   ALA   1           HB1      ALA   1  68.065 -15.014   7.528
    7   3HB   ALA   1           HB3      ALA   1  69.324 -15.938   8.344
    8    H    LYS   2           HN       LYS   2  67.449 -12.774   7.940
    9    HA   LYS   2           HA       LYS   2  68.197 -11.183   5.509
   10   1HB   LYS   2           HB2      LYS   2  65.933 -11.720   4.659
   11   2HB   LYS   2           HB1      LYS   2  66.855 -13.193   4.969
   12   1HG   LYS   2           HG2      LYS   2  65.633 -12.659   7.411
   13   2HG   LYS   2           HG1      LYS   2  64.391 -12.255   6.226
   14   1HD   LYS   2           HD2      LYS   2  65.954 -14.806   5.932
   15   2HD   LYS   2           HD1      LYS   2  64.602 -14.733   7.063
   16   1HE   LYS   2           HE2      LYS   2  63.346 -15.270   5.221
   17   2HE   LYS   2           HE1      LYS   2  63.516 -13.548   4.823
   18   1HZ   LYS   2           HZ3      LYS   2  65.594 -15.530   4.114
   19   2HZ   LYS   2           HZ2      LYS   2  64.293 -15.195   3.074
   20   3HZ   LYS   2           HZ1      LYS   2  65.384 -13.965   3.499
   21    H    GLN   3           HN       GLN   3  66.326  -9.441   5.175
   22    HA   GLN   3           HA       GLN   3  65.171  -8.474   7.727
   23   1HB   GLN   3           HB2      GLN   3  67.377  -7.114   6.161
   24   2HB   GLN   3           HB1      GLN   3  66.375  -6.253   7.329
   25   1HG   GLN   3           HG2      GLN   3  68.095  -8.682   7.908
   26   2HG   GLN   3           HG1      GLN   3  68.436  -7.025   8.410
   27   1HE2  GLN   3          HE22      GLN   3  66.670  -8.871  11.194
   28   2HE2  GLN   3          HE21      GLN   3  68.068  -9.204  10.292
   29    H    ASP   4           HN       ASP   4  63.191  -7.721   7.244
   30    HA   ASP   4           HA       ASP   4  61.994  -7.512   4.737
   31   1HB   ASP   4           HB2      ASP   4  60.848  -7.472   6.901
   32   2HB   ASP   4           HB1      ASP   4  61.562  -5.903   7.272
   33    H    TYR   5           HN       TYR   5  61.168  -5.288   3.796
   34    HA   TYR   5           HA       TYR   5  63.570  -3.541   3.479
   35   1HB   TYR   5           HB2      TYR   5  61.488  -2.933   1.603
   36   2HB   TYR   5           HB1      TYR   5  63.074  -3.633   1.292
   37    HD1  TYR   5           HD1      TYR   5  59.536  -4.419   2.101
   38    HD2  TYR   5           HD2      TYR   5  63.339  -5.966   0.844
   39    HE1  TYR   5           HE1      TYR   5  58.462  -6.571   1.506
   40    HE2  TYR   5           HE2      TYR   5  62.267  -8.120   0.250
   41    HH   TYR   5           HH       TYR   5  58.777  -8.643   0.789
   42    H    TYR   6           HN       TYR   6  60.740  -3.557   5.232
   43    HA   TYR   6           HA       TYR   6  60.008  -0.743   4.840
   44   1HB   TYR   6           HB2      TYR   6  58.569  -2.820   5.499
   45   2HB   TYR   6           HB1      TYR   6  59.162  -2.484   7.125
   46    HD1  TYR   6           HD2      TYR   6  59.255   0.638   5.725
   47    HD2  TYR   6           HD1      TYR   6  56.365  -2.314   6.922
   48    HE1  TYR   6           HE2      TYR   6  57.546   2.412   5.984
   49    HE2  TYR   6           HE1      TYR   6  54.662  -0.533   7.186
   50    HH   TYR   6           HH       TYR   6  55.056   2.328   7.664
   51    H    GLU   7           HN       GLU   7  62.050  -2.651   6.903
   52    HA   GLU   7           HA       GLU   7  62.496  -0.442   8.812
   53   1HB   GLU   7           HB2      GLU   7  62.493  -3.158   8.986
   54   2HB   GLU   7           HB1      GLU   7  64.215  -2.867   8.743
   55   1HG   GLU   7           HG2      GLU   7  64.069  -1.140  10.605
   56   2HG   GLU   7           HG1      GLU   7  62.450  -1.757  10.937
   57    H    ILE   8           HN       ILE   8  63.856  -1.779   5.908
   58    HA   ILE   8           HA       ILE   8  66.570  -0.970   6.120
   59    HB   ILE   8           HB       ILE   8  64.723  -2.048   4.226
   60   1HG1  ILE   8          HG12      ILE   8  67.192  -2.316   3.086
   61   2HG1  ILE   8          HG11      ILE   8  67.623  -1.972   4.762
   62   1HG2  ILE   8          HG23      ILE   8  64.808   0.285   3.232
   63   2HG2  ILE   8          HG22      ILE   8  66.528   0.018   2.946
   64   3HG2  ILE   8          HG21      ILE   8  65.332  -1.007   2.151
   65   1HD1  ILE   8          HD12      ILE   8  65.817  -3.745   5.358
   66   2HD1  ILE   8          HD11      ILE   8  65.973  -4.246   3.675
   67   3HD1  ILE   8          HD13      ILE   8  67.371  -4.312   4.747
   68    H    LEU   9           HN       LEU   9  63.659   0.883   5.337
   69    HA   LEU   9           HA       LEU   9  65.193   3.251   4.488
   70   1HB   LEU   9           HB2      LEU   9  62.269   2.644   5.004
   71   2HB   LEU   9           HB1      LEU   9  62.835   4.215   4.452
   72    HG   LEU   9           HG       LEU   9  62.383   3.279   2.406
   73   1HD1  LEU   9          HD11      LEU   9  65.107   2.107   3.027
   74   2HD1  LEU   9          HD13      LEU   9  64.406   2.207   1.415
   75   3HD1  LEU   9          HD12      LEU   9  64.778   3.681   2.305
   76   1HD2  LEU   9          HD22      LEU   9  62.386   0.846   3.979
   77   2HD2  LEU   9          HD21      LEU   9  61.510   1.211   2.494
   78   3HD2  LEU   9          HD23      LEU   9  63.155   0.582   2.414
   79    H    GLY  10           HN       GLY  10  65.305   2.044   7.359
   80   1HA   GLY  10           HA2      GLY  10  65.434   2.899   9.541
   81   2HA   GLY  10           HA1      GLY  10  65.672   4.470   8.770
   82    H    VAL  11           HN       VAL  11  62.807   2.790   7.921
   83    HA   VAL  11           HA       VAL  11  61.142   4.874   9.161
   84    HB   VAL  11           HB       VAL  11  60.324   2.347   7.705
   85   1HG1  VAL  11          HG11      VAL  11  59.052   4.977   8.373
   86   2HG1  VAL  11          HG13      VAL  11  58.551   4.126   6.911
   87   3HG1  VAL  11          HG12      VAL  11  58.383   3.349   8.486
   88   1HG2  VAL  11          HG22      VAL  11  62.114   3.824   6.530
   89   2HG2  VAL  11          HG21      VAL  11  60.665   3.390   5.626
   90   3HG2  VAL  11          HG23      VAL  11  60.806   4.992   6.348
   91    H    SER  12           HN       SER  12  59.071   4.008  10.273
   92    HA   SER  12           HA       SER  12  59.876   2.119  12.395
   93   1HB   SER  12           HB2      SER  12  57.460   2.910  13.132
   94   2HB   SER  12           HB1      SER  12  58.833   4.000  13.298
   95    HG   SER  12           HG       SER  12  56.734   4.615  12.082
   96    H    LYS  13           HN       LYS  13  59.019   1.644   9.419
   97    HA   LYS  13           HA       LYS  13  57.595   0.253   8.205
   98   1HB   LYS  13           HB2      LYS  13  58.160  -1.928   8.658
   99   2HB   LYS  13           HB1      LYS  13  59.351  -1.110   9.668
  100   1HG   LYS  13           HG2      LYS  13  57.731  -1.279  11.596
  101   2HG   LYS  13           HG1      LYS  13  56.682  -2.249  10.566
  102   1HD   LYS  13           HD2      LYS  13  57.966  -4.095  10.824
  103   2HD   LYS  13           HD1      LYS  13  59.457  -3.188  10.566
  104   1HE   LYS  13           HE2      LYS  13  59.475  -2.435  12.877
  105   2HE   LYS  13           HE1      LYS  13  57.880  -3.158  13.164
  106   1HZ   LYS  13           HZ1      LYS  13  60.072  -4.800  12.076
  107   2HZ   LYS  13           HZ3      LYS  13  59.987  -4.515  13.747
  108   3HZ   LYS  13           HZ2      LYS  13  58.699  -5.288  12.950
  109    H    THR  14           HN       THR  14  56.386   1.971  10.305
  110    HA   THR  14           HA       THR  14  53.706   0.697  10.323
  111    HB   THR  14           HB       THR  14  53.520   1.533  12.724
  112    HG1  THR  14           HG1      THR  14  55.142   2.922  12.971
  113   1HG2  THR  14          HG22      THR  14  55.240  -0.691  11.764
  114   2HG2  THR  14          HG21      THR  14  55.365  -0.285  13.476
  115   3HG2  THR  14          HG23      THR  14  53.806  -0.738  12.788
  116    H    ALA  15           HN       ALA  15  55.593   3.194   9.365
  117    HA   ALA  15           HA       ALA  15  53.895   5.477  10.058
  118   1HB   ALA  15           HB3      ALA  15  56.570   4.987   9.487
  119   2HB   ALA  15           HB2      ALA  15  55.987   5.709   7.989
  120   3HB   ALA  15           HB1      ALA  15  55.827   6.586   9.510
  121    H    GLU  16           HN       GLU  16  54.475   6.668   7.431
  122    HA   GLU  16           HA       GLU  16  52.916   5.066   5.494
  123   1HB   GLU  16           HB2      GLU  16  52.088   7.877   6.281
  124   2HB   GLU  16           HB1      GLU  16  51.181   6.718   5.305
  125   1HG   GLU  16           HG2      GLU  16  51.157   5.211   7.368
  126   2HG   GLU  16           HG1      GLU  16  51.739   6.606   8.276
  127    H    GLU  17           HN       GLU  17  52.691   8.194   4.536
  128    HA   GLU  17           HA       GLU  17  55.126   8.006   2.868
  129   1HB   GLU  17           HB2      GLU  17  52.778   9.933   2.988
  130   2HB   GLU  17           HB1      GLU  17  54.044   9.978   1.759
  131   1HG   GLU  17           HG2      GLU  17  53.333   8.010   0.755
  132   2HG   GLU  17           HG1      GLU  17  52.602   7.396   2.237
  133    H    ARG  18           HN       ARG  18  53.831   9.778   5.586
  134    HA   ARG  18           HA       ARG  18  55.439  12.086   5.617
  135   1HB   ARG  18           HB2      ARG  18  55.018  11.944   8.113
  136   2HB   ARG  18           HB1      ARG  18  53.576  11.786   7.111
  137   1HG   ARG  18           HG2      ARG  18  53.266   9.983   8.527
  138   2HG   ARG  18           HG1      ARG  18  54.190   9.197   7.250
  139   1HD   ARG  18           HD2      ARG  18  55.402   8.530   9.127
  140   2HD   ARG  18           HD1      ARG  18  56.260  10.025   8.710
  141    HE   ARG  18           HE       ARG  18  55.463  10.869  10.759
  142   1HH1  ARG  18          HH21      ARG  18  54.066   7.938  10.756
  143   2HH1  ARG  18          HH22      ARG  18  52.532   8.413  11.403
  144   1HH2  ARG  18          HH11      ARG  18  53.116  11.808  10.998
  145   2HH2  ARG  18          HH12      ARG  18  51.993  10.607  11.542
  146    H    GLU  19           HN       GLU  19  56.322   8.791   6.666
  147    HA   GLU  19           HA       GLU  19  58.967   9.882   7.506
  148   1HB   GLU  19           HB2      GLU  19  57.247   7.845   8.462
  149   2HB   GLU  19           HB1      GLU  19  58.686   7.036   7.831
  150   1HG   GLU  19           HG2      GLU  19  60.049   7.934   9.408
  151   2HG   GLU  19           HG1      GLU  19  59.229   9.495   9.362
  152    H    ILE  20           HN       ILE  20  57.432   7.669   5.229
  153    HA   ILE  20           HA       ILE  20  59.844   6.632   4.136
  154    HB   ILE  20           HB       ILE  20  57.007   6.583   3.679
  155   1HG1  ILE  20          HG12      ILE  20  57.517   4.404   2.806
  156   2HG1  ILE  20          HG11      ILE  20  59.181   4.874   2.463
  157   1HG2  ILE  20          HG21      ILE  20  58.699   6.978   1.194
  158   2HG2  ILE  20          HG23      ILE  20  57.086   6.266   1.177
  159   3HG2  ILE  20          HG22      ILE  20  57.307   7.938   1.694
  160   1HD1  ILE  20          HD13      ILE  20  58.193   5.145   5.270
  161   2HD1  ILE  20          HD12      ILE  20  58.570   3.530   4.675
  162   3HD1  ILE  20          HD11      ILE  20  59.814   4.779   4.680
  163    H    ARG  21           HN       ARG  21  58.335   9.742   3.970
  164    HA   ARG  21           HA       ARG  21  59.738  10.528   1.505
  165   1HB   ARG  21           HB2      ARG  21  58.372  12.465   1.641
  166   2HB   ARG  21           HB1      ARG  21  57.362  11.197   2.333
  167   1HG   ARG  21           HG2      ARG  21  58.013  11.871   4.592
  168   2HG   ARG  21           HG1      ARG  21  59.105  13.091   3.937
  169   1HD   ARG  21           HD2      ARG  21  56.295  13.231   2.970
  170   2HD   ARG  21           HD1      ARG  21  56.563  13.672   4.669
  171    HE   ARG  21           HE       ARG  21  58.609  14.875   3.075
  172   1HH1  ARG  21          HH11      ARG  21  55.179  14.942   3.311
  173   2HH1  ARG  21          HH12      ARG  21  55.063  16.659   3.120
  174   1HH2  ARG  21          HH21      ARG  21  58.494  17.147   3.001
  175   2HH2  ARG  21          HH22      ARG  21  56.938  17.907   2.949
  176    H    LYS  22           HN       LYS  22  60.058  10.978   4.963
  177    HA   LYS  22           HA       LYS  22  62.327  12.839   4.594
  178   1HB   LYS  22           HB2      LYS  22  60.558  13.313   6.271
  179   2HB   LYS  22           HB1      LYS  22  60.876  11.757   7.040
  180   1HG   LYS  22           HG2      LYS  22  63.376  12.746   7.058
  181   2HG   LYS  22           HG1      LYS  22  62.482  14.266   7.096
  182   1HD   LYS  22           HD2      LYS  22  62.979  13.387   9.381
  183   2HD   LYS  22           HD1      LYS  22  61.248  13.538   9.073
  184   1HE   LYS  22           HE2      LYS  22  60.912  11.273   9.148
  185   2HE   LYS  22           HE1      LYS  22  62.449  10.923   8.330
  186   1HZ   LYS  22           HZ2      LYS  22  62.245  11.968  11.103
  187   2HZ   LYS  22           HZ1      LYS  22  62.438  10.322  10.728
  188   3HZ   LYS  22           HZ3      LYS  22  63.650  11.435  10.310
  189    H    ALA  23           HN       ALA  23  61.452   9.564   5.343
  190    HA   ALA  23           HA       ALA  23  64.107   8.820   6.407
  191   1HB   ALA  23           HB1      ALA  23  61.794   7.832   6.981
  192   2HB   ALA  23           HB3      ALA  23  61.876   7.022   5.417
  193   3HB   ALA  23           HB2      ALA  23  63.079   6.670   6.657
  194    H    TYR  24           HN       TYR  24  62.197   8.154   3.435
  195    HA   TYR  24           HA       TYR  24  64.021   6.631   1.971
  196   1HB   TYR  24           HB2      TYR  24  61.868   7.156   1.068
  197   2HB   TYR  24           HB1      TYR  24  62.148   8.889   1.222
  198    HD1  TYR  24           HD1      TYR  24  64.039   9.932  -0.178
  199    HD2  TYR  24           HD2      TYR  24  62.421   6.026  -0.935
  200    HE1  TYR  24           HE1      TYR  24  64.953  10.001  -2.480
  201    HE2  TYR  24           HE2      TYR  24  63.336   6.095  -3.237
  202    HH   TYR  24           HH       TYR  24  65.626   7.800  -4.254
  203    H    LYS  25           HN       LYS  25  63.936  10.138   2.466
  204    HA   LYS  25           HA       LYS  25  66.414  10.560   0.930
  205   1HB   LYS  25           HB2      LYS  25  64.272  12.164   2.252
  206   2HB   LYS  25           HB1      LYS  25  65.845  12.938   2.052
  207   1HG   LYS  25           HG2      LYS  25  65.570  11.857  -0.408
  208   2HG   LYS  25           HG1      LYS  25  63.870  12.100  -0.008
  209   1HD   LYS  25           HD2      LYS  25  64.198  14.446   0.357
  210   2HD   LYS  25           HD1      LYS  25  65.953  14.272   0.305
  211   1HE   LYS  25           HE2      LYS  25  64.024  13.889  -2.012
  212   2HE   LYS  25           HE1      LYS  25  65.261  15.149  -1.847
  213   1HZ   LYS  25           HZ1      LYS  25  66.777  13.059  -1.443
  214   2HZ   LYS  25           HZ3      LYS  25  65.589  12.285  -2.375
  215   3HZ   LYS  25           HZ2      LYS  25  66.443  13.606  -3.016
  216    H    ARG  26           HN       ARG  26  65.305  10.682   4.349
  217    HA   ARG  26           HA       ARG  26  67.861  11.559   5.408
  218   1HB   ARG  26           HB2      ARG  26  65.825  11.761   6.692
  219   2HB   ARG  26           HB1      ARG  26  65.510  10.032   6.559
  220   1HG   ARG  26           HG2      ARG  26  68.143  10.548   7.678
  221   2HG   ARG  26           HG1      ARG  26  66.872  11.305   8.636
  222   1HD   ARG  26           HD2      ARG  26  65.643   9.055   8.530
  223   2HD   ARG  26           HD1      ARG  26  67.170   8.378   7.933
  224    HE   ARG  26           HE       ARG  26  67.618  10.028  10.261
  225   1HH1  ARG  26          HH21      ARG  26  65.418   7.586  10.184
  226   2HH1  ARG  26          HH22      ARG  26  66.282   6.493  11.212
  227   1HH2  ARG  26          HH11      ARG  26  69.209   8.351  11.173
  228   2HH2  ARG  26          HH12      ARG  26  68.428   6.926  11.772
  229    H    LEU  27           HN       LEU  27  66.520   8.366   4.644
  230    HA   LEU  27           HA       LEU  27  68.851   6.997   5.846
  231   1HB   LEU  27           HB2      LEU  27  66.138   6.418   5.195
  232   2HB   LEU  27           HB1      LEU  27  67.153   5.309   4.272
  233    HG   LEU  27           HG       LEU  27  66.633   4.361   6.484
  234   1HD1  LEU  27          HD12      LEU  27  69.049   4.388   5.287
  235   2HD1  LEU  27          HD11      LEU  27  69.479   5.143   6.821
  236   3HD1  LEU  27          HD13      LEU  27  68.747   3.539   6.803
  237   1HD2  LEU  27          HD22      LEU  27  66.341   6.550   7.646
  238   2HD2  LEU  27          HD21      LEU  27  67.424   5.467   8.521
  239   3HD2  LEU  27          HD23      LEU  27  68.086   6.794   7.567
  240    H    ALA  28           HN       ALA  28  67.750   8.089   2.702
  241    HA   ALA  28           HA       ALA  28  69.451   6.340   1.132
  242   1HB   ALA  28           HB1      ALA  28  68.038   8.964   0.678
  243   2HB   ALA  28           HB3      ALA  28  69.008   8.196  -0.579
  244   3HB   ALA  28           HB2      ALA  28  67.590   7.370   0.071
  245    H    MET  29           HN       MET  29  69.855   9.327   2.874
  246    HA   MET  29           HA       MET  29  72.066  10.547   1.701
  247   1HB   MET  29           HB2      MET  29  70.787  11.099   3.810
  248   2HB   MET  29           HB1      MET  29  71.739   9.856   4.621
  249   1HG   MET  29           HG2      MET  29  73.351  11.387   4.967
  250   2HG   MET  29           HG1      MET  29  73.597  11.447   3.221
  251   1HE   MET  29           HE2      MET  29  74.389  13.595   3.002
  252   2HE   MET  29           HE1      MET  29  73.632  15.125   3.438
  253   3HE   MET  29           HE3      MET  29  74.356  14.104   4.688
  254    H    LYS  30           HN       LYS  30  71.979   7.807   3.913
  255    HA   LYS  30           HA       LYS  30  74.694   7.146   4.180
  256   1HB   LYS  30           HB2      LYS  30  72.027   5.966   4.385
  257   2HB   LYS  30           HB1      LYS  30  73.245   4.771   3.930
  258   1HG   LYS  30           HG2      LYS  30  73.670   4.661   6.159
  259   2HG   LYS  30           HG1      LYS  30  74.568   6.155   5.884
  260   1HD   LYS  30           HD2      LYS  30  71.961   7.048   6.134
  261   2HD   LYS  30           HD1      LYS  30  72.041   5.740   7.316
  262   1HE   LYS  30           HE2      LYS  30  73.023   7.257   8.700
  263   2HE   LYS  30           HE1      LYS  30  74.457   7.104   7.665
  264   1HZ   LYS  30           HZ3      LYS  30  72.190   8.857   6.930
  265   2HZ   LYS  30           HZ2      LYS  30  73.458   9.418   7.910
  266   3HZ   LYS  30           HZ1      LYS  30  73.776   8.879   6.330
  267    H    TYR  31           HN       TYR  31  72.593   6.966   1.451
  268    HA   TYR  31           HA       TYR  31  74.644   5.358  -0.045
  269   1HB   TYR  31           HB2      TYR  31  71.713   5.579  -0.734
  270   2HB   TYR  31           HB1      TYR  31  72.852   4.306  -1.181
  271    HD1  TYR  31           HD2      TYR  31  74.180   3.601   1.290
  272    HD2  TYR  31           HD1      TYR  31  70.065   4.645   0.638
  273    HE1  TYR  31           HE2      TYR  31  73.534   2.307   3.304
  274    HE2  TYR  31           HE1      TYR  31  69.417   3.353   2.653
  275    HH   TYR  31           HH       TYR  31  71.404   1.129   4.126
  276    H    HIS  32           HN       HIS  32  72.674   8.259  -0.015
  277    HA   HIS  32           HA       HIS  32  72.451   9.188  -2.559
  278   1HB   HIS  32           HB2      HIS  32  72.899  10.259   0.064
  279   2HB   HIS  32           HB1      HIS  32  73.782  11.243  -1.108
  280    HD1  HIS  32           HD1      HIS  32  70.422   9.482  -1.500
  281    HD2  HIS  32           HD2      HIS  32  72.029  13.327  -1.627
  282    HE1  HIS  32           HE1      HIS  32  68.544  11.020  -2.218
  283    HA   PRO  33           HA       PRO  33  76.210   9.319  -4.779
  284   1HB   PRO  33           HB2      PRO  33  76.066  11.837  -5.902
  285   2HB   PRO  33           HB1      PRO  33  75.103  10.453  -6.455
  286   1HG   PRO  33           HG2      PRO  33  74.344  12.630  -4.547
  287   2HG   PRO  33           HG1      PRO  33  73.443  11.994  -5.940
  288   1HD   PRO  33           HD2      PRO  33  72.828  11.173  -3.505
  289   2HD   PRO  33           HD1      PRO  33  72.907   9.998  -4.840
  290    H    ASP  34           HN       ASP  34  77.747  11.791  -5.235
  291    HA   ASP  34           HA       ASP  34  79.393  13.110  -4.127
  292   1HB   ASP  34           HB2      ASP  34  77.114  13.064  -2.455
  293   2HB   ASP  34           HB1      ASP  34  78.463  12.632  -1.403
  294    H    ARG  35           HN       ARG  35  78.379  10.542  -1.880
  295    HA   ARG  35           HA       ARG  35  81.146   9.572  -1.560
  296   1HB   ARG  35           HB2      ARG  35  80.110   8.362   0.253
  297   2HB   ARG  35           HB1      ARG  35  79.379   9.964   0.261
  298   1HG   ARG  35           HG2      ARG  35  77.492   9.046  -1.123
  299   2HG   ARG  35           HG1      ARG  35  78.198   7.438  -0.950
  300   1HD   ARG  35           HD2      ARG  35  77.753   9.009   1.562
  301   2HD   ARG  35           HD1      ARG  35  76.335   8.304   0.764
  302    HE   ARG  35           HE       ARG  35  77.351   6.101   0.984
  303   1HH1  ARG  35          HH21      ARG  35  79.476   8.603   2.005
  304   2HH1  ARG  35          HH22      ARG  35  80.286   7.621   3.176
  305   1HH2  ARG  35          HH11      ARG  35  78.261   4.858   2.667
  306   2HH2  ARG  35          HH12      ARG  35  79.603   5.506   3.550
  307    H    ASN  36           HN       ASN  36  78.058   8.798  -2.991
  308    HA   ASN  36           HA       ASN  36  78.793   6.053  -3.782
  309   1HB   ASN  36           HB2      ASN  36  76.434   7.836  -3.608
  310   2HB   ASN  36           HB1      ASN  36  76.431   6.750  -4.993
  311   1HD2  ASN  36          HD22      ASN  36  75.282   4.119  -3.003
  312   2HD2  ASN  36          HD21      ASN  36  75.154   5.006  -4.444
  313    H    GLN  37           HN       GLN  37  78.527   9.259  -5.157
  314    HA   GLN  37           HA       GLN  37  79.334  10.071  -7.209
  315   1HB   GLN  37           HB2      GLN  37  79.988   7.231  -7.975
  316   2HB   GLN  37           HB1      GLN  37  80.788   8.711  -8.497
  317   1HG   GLN  37           HG2      GLN  37  80.930   8.617  -5.647
  318   2HG   GLN  37           HG1      GLN  37  81.448   7.048  -6.266
  319   1HE2  GLN  37          HE22      GLN  37  84.053  10.014  -6.443
  320   2HE2  GLN  37          HE21      GLN  37  82.745   9.917  -5.365
  321    H    GLY  38           HN       GLY  38  76.867  10.197  -7.150
  322   1HA   GLY  38           HA2      GLY  38  74.949  10.197  -8.498
  323   2HA   GLY  38           HA1      GLY  38  75.890   9.373  -9.743
  324    H    ASP  39           HN       ASP  39  76.620   7.030  -8.710
  325    HA   ASP  39           HA       ASP  39  74.329   5.778  -7.308
  326   1HB   ASP  39           HB2      ASP  39  75.073   5.282 -10.193
  327   2HB   ASP  39           HB1      ASP  39  74.061   4.174  -9.266
  328    H    LYS  40           HN       LYS  40  75.887   3.562  -9.297
  329    HA   LYS  40           HA       LYS  40  77.476   1.905  -8.894
  330   1HB   LYS  40           HB2      LYS  40  78.443   4.332  -7.523
  331   2HB   LYS  40           HB1      LYS  40  79.283   2.829  -7.169
  332   1HG   LYS  40           HG2      LYS  40  80.390   3.062  -9.101
  333   2HG   LYS  40           HG1      LYS  40  78.857   2.874  -9.951
  334   1HD   LYS  40           HD2      LYS  40  78.783   5.502  -9.049
  335   2HD   LYS  40           HD1      LYS  40  80.462   5.283  -9.546
  336   1HE   LYS  40           HE2      LYS  40  79.396   4.160 -11.680
  337   2HE   LYS  40           HE1      LYS  40  77.963   5.097 -11.209
  338   1HZ   LYS  40           HZ1      LYS  40  80.704   6.221 -11.450
  339   2HZ   LYS  40           HZ3      LYS  40  79.508   6.362 -12.644
  340   3HZ   LYS  40           HZ2      LYS  40  79.278   7.085 -11.124
  341    H    GLU  41           HN       GLU  41  77.355   3.436  -5.708
  342    HA   GLU  41           HA       GLU  41  76.854   0.777  -4.482
  343   1HB   GLU  41           HB2      GLU  41  78.515   2.159  -3.431
  344   2HB   GLU  41           HB1      GLU  41  77.456   3.570  -3.463
  345   1HG   GLU  41           HG2      GLU  41  76.325   2.923  -1.596
  346   2HG   GLU  41           HG1      GLU  41  76.352   1.220  -2.051
  347    H    ALA  42           HN       ALA  42  75.087   3.471  -5.574
  348    HA   ALA  42           HA       ALA  42  72.839   3.087  -3.703
  349   1HB   ALA  42           HB3      ALA  42  73.785   5.024  -5.701
  350   2HB   ALA  42           HB2      ALA  42  72.045   4.754  -5.778
  351   3HB   ALA  42           HB1      ALA  42  72.788   5.294  -4.272
  352    H    GLU  43           HN       GLU  43  74.013   1.762  -6.631
  353    HA   GLU  43           HA       GLU  43  71.661   1.240  -8.097
  354   1HB   GLU  43           HB2      GLU  43  74.041   0.816  -8.744
  355   2HB   GLU  43           HB1      GLU  43  74.066  -0.551  -7.629
  356   1HG   GLU  43           HG2      GLU  43  71.753  -0.720  -9.357
  357   2HG   GLU  43           HG1      GLU  43  73.224  -0.575 -10.321
  358    H    ALA  44           HN       ALA  44  73.115  -0.708  -5.453
  359    HA   ALA  44           HA       ALA  44  70.756  -2.497  -5.440
  360   1HB   ALA  44           HB2      ALA  44  73.156  -3.237  -5.157
  361   2HB   ALA  44           HB1      ALA  44  73.186  -2.375  -3.618
  362   3HB   ALA  44           HB3      ALA  44  72.100  -3.748  -3.839
  363    H    LYS  45           HN       LYS  45  71.974   0.293  -3.700
  364    HA   LYS  45           HA       LYS  45  70.126  -0.166  -1.447
  365   1HB   LYS  45           HB2      LYS  45  72.520   1.287  -1.943
  366   2HB   LYS  45           HB1      LYS  45  71.275   2.462  -1.493
  367   1HG   LYS  45           HG2      LYS  45  71.430   1.810   0.648
  368   2HG   LYS  45           HG1      LYS  45  70.971   0.171   0.180
  369   1HD   LYS  45           HD2      LYS  45  73.709   0.725  -0.586
  370   2HD   LYS  45           HD1      LYS  45  73.477   0.994   1.143
  371   1HE   LYS  45           HE2      LYS  45  72.249  -1.286   1.150
  372   2HE   LYS  45           HE1      LYS  45  73.007  -1.541  -0.436
  373   1HZ   LYS  45           HZ3      LYS  45  74.682  -0.492   1.718
  374   2HZ   LYS  45           HZ2      LYS  45  74.261  -2.135   1.798
  375   3HZ   LYS  45           HZ1      LYS  45  75.090  -1.533   0.443
  376    H    PHE  46           HN       PHE  46  70.411   1.955  -4.303
  377    HA   PHE  46           HA       PHE  46  68.224   3.689  -3.760
  378   1HB   PHE  46           HB2      PHE  46  69.772   3.991  -5.639
  379   2HB   PHE  46           HB1      PHE  46  69.257   2.460  -6.344
  380    HD1  PHE  46           HD1      PHE  46  67.020   4.938  -4.718
  381    HD2  PHE  46           HD2      PHE  46  68.392   3.263  -8.428
  382    HE1  PHE  46           HE1      PHE  46  65.194   6.107  -5.923
  383    HE2  PHE  46           HE2      PHE  46  66.568   4.435  -9.632
  384    HZ   PHE  46           HZ       PHE  46  64.968   5.855  -8.379
  385    H    LYS  47           HN       LYS  47  68.387   0.347  -4.796
  386    HA   LYS  47           HA       LYS  47  65.570   0.137  -5.376
  387   1HB   LYS  47           HB2      LYS  47  66.260  -1.937  -6.138
  388   2HB   LYS  47           HB1      LYS  47  67.881  -1.304  -5.916
  389   1HG   LYS  47           HG2      LYS  47  68.298  -2.677  -4.172
  390   2HG   LYS  47           HG1      LYS  47  66.693  -2.483  -3.481
  391   1HD   LYS  47           HD2      LYS  47  66.224  -4.527  -4.270
  392   2HD   LYS  47           HD1      LYS  47  66.220  -3.795  -5.874
  393   1HE   LYS  47           HE2      LYS  47  68.247  -4.697  -6.429
  394   2HE   LYS  47           HE1      LYS  47  68.900  -4.469  -4.794
  395   1HZ   LYS  47           HZ2      LYS  47  67.330  -6.238  -4.054
  396   2HZ   LYS  47           HZ1      LYS  47  66.980  -6.551  -5.687
  397   3HZ   LYS  47           HZ3      LYS  47  68.550  -6.795  -5.096
  398    H    GLU  48           HN       GLU  48  67.819  -0.701  -2.733
  399    HA   GLU  48           HA       GLU  48  65.878  -1.589  -0.881
  400   1HB   GLU  48           HB2      GLU  48  68.486  -0.068  -0.559
  401   2HB   GLU  48           HB1      GLU  48  67.610  -0.773   0.800
  402   1HG   GLU  48           HG2      GLU  48  67.905  -2.717  -1.325
  403   2HG   GLU  48           HG1      GLU  48  69.479  -2.071  -0.858
  404    H    ILE  49           HN       ILE  49  66.543   1.511  -2.246
  405    HA   ILE  49           HA       ILE  49  65.013   2.927  -0.154
  406    HB   ILE  49           HB       ILE  49  66.346   3.831  -2.726
  407   1HG1  ILE  49          HG12      ILE  49  68.255   3.495  -1.534
  408   2HG1  ILE  49          HG11      ILE  49  67.767   4.932  -0.642
  409   1HG2  ILE  49          HG21      ILE  49  64.421   5.095  -1.216
  410   2HG2  ILE  49          HG23      ILE  49  65.922   5.771  -0.585
  411   3HG2  ILE  49          HG22      ILE  49  65.556   5.891  -2.307
  412   1HD1  ILE  49          HD11      ILE  49  66.445   3.353   0.878
  413   2HD1  ILE  49          HD13      ILE  49  67.344   2.043   0.114
  414   3HD1  ILE  49          HD12      ILE  49  68.201   3.291   1.015
  415    H    LYS  50           HN       LYS  50  64.932   3.075  -3.712
  416    HA   LYS  50           HA       LYS  50  62.091   3.691  -3.605
  417   1HB   LYS  50           HB2      LYS  50  63.960   4.542  -5.202
  418   2HB   LYS  50           HB1      LYS  50  63.703   3.031  -6.073
  419   1HG   LYS  50           HG2      LYS  50  61.241   3.615  -6.167
  420   2HG   LYS  50           HG1      LYS  50  61.666   5.206  -5.536
  421   1HD   LYS  50           HD2      LYS  50  63.456   5.021  -7.559
  422   2HD   LYS  50           HD1      LYS  50  62.146   4.048  -8.227
  423   1HE   LYS  50           HE2      LYS  50  60.846   6.273  -7.129
  424   2HE   LYS  50           HE1      LYS  50  62.292   6.942  -7.914
  425   1HZ   LYS  50           HZ2      LYS  50  61.762   5.484  -9.846
  426   2HZ   LYS  50           HZ1      LYS  50  60.271   5.126  -9.114
  427   3HZ   LYS  50           HZ3      LYS  50  60.626   6.719  -9.581
  428    H    GLU  51           HN       GLU  51  63.977   0.742  -3.937
  429    HA   GLU  51           HA       GLU  51  61.752  -0.696  -5.256
  430   1HB   GLU  51           HB2      GLU  51  64.290  -1.010  -5.628
  431   2HB   GLU  51           HB1      GLU  51  64.306  -1.811  -4.062
  432   1HG   GLU  51           HG2      GLU  51  64.070  -3.328  -6.041
  433   2HG   GLU  51           HG1      GLU  51  62.837  -3.502  -4.794
  434    H    ALA  52           HN       ALA  52  63.170  -0.163  -2.108
  435    HA   ALA  52           HA       ALA  52  61.570  -2.261  -0.770
  436   1HB   ALA  52           HB1      ALA  52  63.995  -1.201  -0.351
  437   2HB   ALA  52           HB3      ALA  52  63.052  -0.069   0.616
  438   3HB   ALA  52           HB2      ALA  52  63.011  -1.789   0.987
  439    H    TYR  53           HN       TYR  53  61.932   1.258  -0.651
  440    HA   TYR  53           HA       TYR  53  59.515   1.638   0.929
  441   1HB   TYR  53           HB2      TYR  53  60.719   3.463   1.448
  442   2HB   TYR  53           HB1      TYR  53  61.955   2.908   0.340
  443    HD1  TYR  53           HD1      TYR  53  60.979   3.322  -2.269
  444    HD2  TYR  53           HD2      TYR  53  60.308   5.710   1.219
  445    HE1  TYR  53           HE1      TYR  53  60.686   5.315  -3.704
  446    HE2  TYR  53           HE2      TYR  53  59.992   7.709  -0.202
  447    HH   TYR  53           HH       TYR  53  59.600   8.395  -2.360
  448    H    GLU  54           HN       GLU  54  59.657   0.665  -2.111
  449    HA   GLU  54           HA       GLU  54  57.970   2.668  -3.436
  450   1HB   GLU  54           HB2      GLU  54  59.085   1.568  -5.093
  451   2HB   GLU  54           HB1      GLU  54  59.422   0.182  -4.058
  452   1HG   GLU  54           HG2      GLU  54  57.357  -0.852  -4.585
  453   2HG   GLU  54           HG1      GLU  54  56.667   0.648  -5.207
  454    H    VAL  55           HN       VAL  55  57.575  -0.241  -1.503
  455    HA   VAL  55           HA       VAL  55  54.643  -0.146  -2.067
  456    HB   VAL  55           HB       VAL  55  54.786  -2.387  -2.214
  457   1HG1  VAL  55          HG12      VAL  55  57.217  -1.787  -2.854
  458   2HG1  VAL  55          HG11      VAL  55  57.627  -2.485  -1.286
  459   3HG1  VAL  55          HG13      VAL  55  56.817  -3.465  -2.506
  460   1HG2  VAL  55          HG22      VAL  55  54.359  -2.414   0.230
  461   2HG2  VAL  55          HG21      VAL  55  55.339  -3.784  -0.281
  462   3HG2  VAL  55          HG23      VAL  55  56.099  -2.407   0.515
  463    H    LEU  56           HN       LEU  56  56.803   0.973   0.110
  464    HA   LEU  56           HA       LEU  56  55.493   0.393   2.624
  465   1HB   LEU  56           HB2      LEU  56  57.403   2.455   1.530
  466   2HB   LEU  56           HB1      LEU  56  56.950   2.427   3.239
  467    HG   LEU  56           HG       LEU  56  58.438   0.324   1.653
  468   1HD1  LEU  56          HD11      LEU  56  58.995   1.769   4.262
  469   2HD1  LEU  56          HD13      LEU  56  60.048   0.567   3.520
  470   3HD1  LEU  56          HD12      LEU  56  59.764   2.107   2.712
  471   1HD2  LEU  56          HD22      LEU  56  56.856   0.057   4.201
  472   2HD2  LEU  56          HD21      LEU  56  56.945  -1.049   2.831
  473   3HD2  LEU  56          HD23      LEU  56  58.302  -0.923   3.950
  474    H    THR  57           HN       THR  57  54.570   2.235  -0.046
  475    HA   THR  57           HA       THR  57  52.968   4.154   1.603
  476    HB   THR  57           HB       THR  57  53.619   5.647   0.014
  477    HG1  THR  57           HG1      THR  57  52.844   4.079  -2.147
  478   1HG2  THR  57          HG22      THR  57  55.600   4.060  -0.254
  479   2HG2  THR  57          HG21      THR  57  54.773   3.413  -1.671
  480   3HG2  THR  57          HG23      THR  57  55.269   5.105  -1.635
  481    H    ASP  58           HN       ASP  58  52.837   1.675  -0.893
  482    HA   ASP  58           HA       ASP  58  49.897   1.850  -1.137
  483   1HB   ASP  58           HB2      ASP  58  51.836   1.362  -2.896
  484   2HB   ASP  58           HB1      ASP  58  51.618  -0.298  -2.331
  485    H    SER  59           HN       SER  59  48.500   0.136  -0.463
  486    HA   SER  59           HA       SER  59  49.603  -1.572   1.711
  487   1HB   SER  59           HB2      SER  59  47.688  -0.526   2.480
  488   2HB   SER  59           HB1      SER  59  46.969  -0.439   0.875
  489    HG   SER  59           HG       SER  59  46.384  -2.555   1.029
  490    H    GLN  60           HN       GLN  60  48.200  -1.746  -1.496
  491    HA   GLN  60           HA       GLN  60  47.494  -4.534  -1.534
  492   1HB   GLN  60           HB2      GLN  60  47.479  -4.131  -3.967
  493   2HB   GLN  60           HB1      GLN  60  46.749  -2.767  -3.116
  494   1HG   GLN  60           HG2      GLN  60  49.216  -1.835  -3.100
  495   2HG   GLN  60           HG1      GLN  60  49.426  -2.939  -4.462
  496   1HE2  GLN  60          HE22      GLN  60  46.707   0.134  -4.877
  497   2HE2  GLN  60          HE21      GLN  60  46.989  -0.518  -3.335
  498    H    LYS  61           HN       LYS  61  50.517  -2.793  -2.190
  499    HA   LYS  61           HA       LYS  61  51.901  -5.099  -3.279
  500   1HB   LYS  61           HB2      LYS  61  52.951  -2.513  -2.089
  501   2HB   LYS  61           HB1      LYS  61  53.779  -3.556  -3.245
  502   1HG   LYS  61           HG2      LYS  61  52.107  -3.061  -4.951
  503   2HG   LYS  61           HG1      LYS  61  51.171  -2.110  -3.796
  504   1HD   LYS  61           HD2      LYS  61  52.499  -0.294  -4.063
  505   2HD   LYS  61           HD1      LYS  61  53.971  -1.259  -3.939
  506   1HE   LYS  61           HE2      LYS  61  53.779  -1.930  -6.285
  507   2HE   LYS  61           HE1      LYS  61  52.239  -1.060  -6.429
  508   1HZ   LYS  61           HZ2      LYS  61  53.612   0.893  -5.458
  509   2HZ   LYS  61           HZ1      LYS  61  54.950   0.024  -6.043
  510   3HZ   LYS  61           HZ3      LYS  61  53.737   0.534  -7.114
  511    H    ARG  62           HN       ARG  62  51.769  -3.372  -0.168
  512    HA   ARG  62           HA       ARG  62  53.716  -4.679   1.323
  513   1HB   ARG  62           HB2      ARG  62  50.851  -3.982   2.063
  514   2HB   ARG  62           HB1      ARG  62  52.135  -4.300   3.230
  515   1HG   ARG  62           HG2      ARG  62  52.451  -2.196   1.091
  516   2HG   ARG  62           HG1      ARG  62  51.665  -1.831   2.627
  517   1HD   ARG  62           HD2      ARG  62  54.428  -3.073   2.426
  518   2HD   ARG  62           HD1      ARG  62  54.139  -1.332   2.621
  519    HE   ARG  62           HE       ARG  62  52.849  -1.935   4.717
  520   1HH1  ARG  62          HH11      ARG  62  54.162  -4.710   3.335
  521   2HH1  ARG  62          HH12      ARG  62  54.872  -5.308   4.797
  522   1HH2  ARG  62          HH21      ARG  62  54.180  -2.444   6.620
  523   2HH2  ARG  62          HH22      ARG  62  54.886  -4.024   6.654
  524    H    ALA  63           HN       ALA  63  50.331  -5.813   0.890
  525    HA   ALA  63           HA       ALA  63  50.564  -8.325   2.137
  526   1HB   ALA  63           HB2      ALA  63  49.007  -7.208  -0.192
  527   2HB   ALA  63           HB1      ALA  63  48.828  -8.907   0.245
  528   3HB   ALA  63           HB3      ALA  63  48.423  -7.650   1.413
  529    H    ALA  64           HN       ALA  64  51.646  -7.242  -1.029
  530    HA   ALA  64           HA       ALA  64  52.479  -9.918  -1.933
  531   1HB   ALA  64           HB2      ALA  64  51.621  -8.027  -3.384
  532   2HB   ALA  64           HB1      ALA  64  53.094  -7.136  -2.994
  533   3HB   ALA  64           HB3      ALA  64  53.191  -8.649  -3.896
  534    H    TYR  65           HN       TYR  65  54.178  -6.845  -1.488
  535    HA   TYR  65           HA       TYR  65  56.826  -7.830  -1.432
  536   1HB   TYR  65           HB2      TYR  65  55.366  -5.434  -1.184
  537   2HB   TYR  65           HB1      TYR  65  56.384  -5.513   0.246
  538    HD1  TYR  65           HD1      TYR  65  56.749  -6.458  -3.378
  539    HD2  TYR  65           HD2      TYR  65  58.426  -4.436   0.020
  540    HE1  TYR  65           HE1      TYR  65  58.728  -5.823  -4.732
  541    HE2  TYR  65           HE2      TYR  65  60.405  -3.802  -1.334
  542    HH   TYR  65           HH       TYR  65  60.666  -3.520  -4.184
  543    H    ASP  66           HN       ASP  66  54.434  -7.503   1.183
  544    HA   ASP  66           HA       ASP  66  56.385  -7.939   3.268
  545   1HB   ASP  66           HB2      ASP  66  54.540  -7.726   4.707
  546   2HB   ASP  66           HB1      ASP  66  54.037  -6.799   3.296
  547    H    GLN  67           HN       GLN  67  54.674 -10.034   1.121
  548    HA   GLN  67           HA       GLN  67  55.175 -12.393   2.890
  549   1HB   GLN  67           HB2      GLN  67  53.413 -13.434   1.673
  550   2HB   GLN  67           HB1      GLN  67  52.881 -11.768   1.899
  551   1HG   GLN  67           HG2      GLN  67  52.659 -11.604  -0.335
  552   2HG   GLN  67           HG1      GLN  67  54.407 -11.766  -0.473
  553   1HE2  GLN  67          HE22      GLN  67  52.220 -14.647  -2.030
  554   2HE2  GLN  67          HE21      GLN  67  51.726 -13.040  -1.795
  555    H    TYR  68           HN       TYR  68  56.324 -10.807   0.058
  556    HA   TYR  68           HA       TYR  68  57.494 -13.269  -1.102
  557   1HB   TYR  68           HB2      TYR  68  57.097 -10.405  -1.856
  558   2HB   TYR  68           HB1      TYR  68  58.435 -11.267  -2.623
  559    HD1  TYR  68           HD2      TYR  68  57.550 -13.943  -3.041
  560    HD2  TYR  68           HD1      TYR  68  55.262 -10.317  -3.289
  561    HE1  TYR  68           HE2      TYR  68  55.954 -15.055  -4.580
  562    HE2  TYR  68           HE1      TYR  68  53.667 -11.427  -4.828
  563    HH   TYR  68           HH       TYR  68  54.141 -14.819  -5.828
  564    H    GLY  69           HN       GLY  69  59.359 -10.346  -1.277
  565   1HA   GLY  69           HA2      GLY  69  61.623 -10.027  -0.693
  566   2HA   GLY  69           HA1      GLY  69  61.013 -10.348   0.930
  567    H    HIS  70           HN       HIS  70  60.922 -12.743  -1.631
  568    HA   HIS  70           HA       HIS  70  63.301 -14.136  -0.554
  569   1HB   HIS  70           HB2      HIS  70  61.282 -14.694   0.849
  570   2HB   HIS  70           HB1      HIS  70  60.527 -15.360  -0.606
  571    HD1  HIS  70           HD1      HIS  70  63.901 -16.149  -1.104
  572    HD2  HIS  70           HD2      HIS  70  61.007 -17.686   1.473
  573    HE1  HIS  70           HE1      HIS  70  64.704 -18.450  -0.416
  574    H    ALA  71           HN       ALA  71  61.246 -16.325  -2.048
  575    HA   ALA  71           HA       ALA  71  62.791 -16.163  -4.560
  576   1HB   ALA  71           HB1      ALA  71  62.283 -18.276  -3.252
  577   2HB   ALA  71           HB3      ALA  71  60.590 -18.066  -3.700
  578   3HB   ALA  71           HB2      ALA  71  61.804 -18.343  -4.948
  579    H    ALA  72           HN       ALA  72  60.750 -14.085  -3.811
  580    HA   ALA  72           HA       ALA  72  58.270 -14.178  -4.964
  581   1HB   ALA  72           HB1      ALA  72  60.359 -12.207  -4.502
  582   2HB   ALA  72           HB3      ALA  72  59.387 -11.783  -5.910
  583   3HB   ALA  72           HB2      ALA  72  58.612 -12.030  -4.346
  584    H    PHE  73           HN       PHE  73  61.317 -13.733  -6.785
  585    HA   PHE  73           HA       PHE  73  59.812 -14.446  -9.282
  586   1HB   PHE  73           HB2      PHE  73  61.486 -12.201  -8.517
  587   2HB   PHE  73           HB1      PHE  73  62.159 -13.026  -9.921
  588    HD1  PHE  73           HD1      PHE  73  59.065 -11.463  -8.565
  589    HD2  PHE  73           HD2      PHE  73  61.138 -12.851 -12.062
  590    HE1  PHE  73           HE1      PHE  73  57.336 -10.418 -10.003
  591    HE2  PHE  73           HE2      PHE  73  59.408 -11.809 -13.502
  592    HZ   PHE  73           HZ       PHE  73  57.506 -10.592 -12.473
  593    H    GLU  74           HN       GLU  74  63.150 -14.333  -7.971
  594    HA   GLU  74           HA       GLU  74  64.893 -15.923  -8.101
  595   1HB   GLU  74           HB2      GLU  74  62.352 -17.306  -7.943
  596   2HB   GLU  74           HB1      GLU  74  63.498 -18.242  -8.905
  597   1HG   GLU  74           HG2      GLU  74  65.181 -17.721  -6.991
  598   2HG   GLU  74           HG1      GLU  74  63.745 -17.329  -6.044
  599    H    GLN  75           HN       GLN  75  62.775 -17.419 -10.526
  600    HA   GLN  75           HA       GLN  75  64.688 -16.531 -12.660
  601   1HB   GLN  75           HB2      GLN  75  63.391 -19.257 -12.518
  602   2HB   GLN  75           HB1      GLN  75  64.795 -18.767 -13.467
  603   1HG   GLN  75           HG2      GLN  75  64.647 -19.032 -10.450
  604   2HG   GLN  75           HG1      GLN  75  65.569 -20.051 -11.555
  605   1HE2  GLN  75          HE22      GLN  75  67.671 -16.994 -12.336
  606   2HE2  GLN  75          HE21      GLN  75  66.552 -17.878 -13.256
  607    H    GLY  76           HN       GLY  76  62.634 -14.958 -12.660
  608   1HA   GLY  76           HA2      GLY  76  60.853 -14.210 -14.002
  609   2HA   GLY  76           HA1      GLY  76  61.081 -15.650 -14.996
  610    H    GLY  77           HN       GLY  77  60.432 -17.758 -13.648
  611   1HA   GLY  77           HA2      GLY  77  58.018 -17.237 -12.000
  612   2HA   GLY  77           HA1      GLY  77  57.815 -18.187 -13.472
   
  No H/Q in entry =         612
  Start of MODEL    3
    1   1H    ALA   1           HT1      ALA   1  72.585  -5.667   5.552
    2   2H    ALA   1           HT3      ALA   1  73.355  -5.742   7.060
    3   3H    ALA   1           HT2      ALA   1  74.281  -5.647   5.640
    4    HA   ALA   1           HA       ALA   1  73.679  -7.837   4.977
    5   1HB   ALA   1           HB3      ALA   1  75.078  -7.088   7.291
    6   2HB   ALA   1           HB2      ALA   1  74.094  -8.463   7.791
    7   3HB   ALA   1           HB1      ALA   1  75.216  -8.626   6.439
    8    H    LYS   2           HN       LYS   2  72.015  -9.308   4.841
    9    HA   LYS   2           HA       LYS   2  69.835 -10.176   5.191
   10   1HB   LYS   2           HB2      LYS   2  71.439 -11.111   6.973
   11   2HB   LYS   2           HB1      LYS   2  70.688  -9.968   8.087
   12   1HG   LYS   2           HG2      LYS   2  69.180 -11.629   8.449
   13   2HG   LYS   2           HG1      LYS   2  68.491 -11.118   6.907
   14   1HD   LYS   2           HD2      LYS   2  70.790 -12.966   6.699
   15   2HD   LYS   2           HD1      LYS   2  69.336 -13.660   7.417
   16   1HE   LYS   2           HE2      LYS   2  68.339 -13.773   5.388
   17   2HE   LYS   2           HE1      LYS   2  68.647 -12.048   5.101
   18   1HZ   LYS   2           HZ3      LYS   2  70.780 -14.095   4.911
   19   2HZ   LYS   2           HZ2      LYS   2  69.833 -13.654   3.571
   20   3HZ   LYS   2           HZ1      LYS   2  70.811 -12.497   4.341
   21    H    GLN   3           HN       GLN   3  69.255  -7.705   4.633
   22    HA   GLN   3           HA       GLN   3  67.960  -6.362   6.960
   23   1HB   GLN   3           HB2      GLN   3  67.726  -4.520   5.237
   24   2HB   GLN   3           HB1      GLN   3  69.393  -5.004   5.553
   25   1HG   GLN   3           HG2      GLN   3  68.098  -6.582   3.438
   26   2HG   GLN   3           HG1      GLN   3  68.240  -4.866   3.053
   27   1HE2  GLN   3          HE22      GLN   3  71.430  -6.647   2.098
   28   2HE2  GLN   3          HE21      GLN   3  69.799  -6.899   1.702
   29    H    ASP   4           HN       ASP   4  65.738  -5.688   6.787
   30    HA   ASP   4           HA       ASP   4  64.031  -7.695   5.507
   31   1HB   ASP   4           HB2      ASP   4  63.674  -6.875   7.783
   32   2HB   ASP   4           HB1      ASP   4  63.513  -5.224   7.185
   33    H    TYR   5           HN       TYR   5  62.913  -4.389   5.634
   34    HA   TYR   5           HA       TYR   5  63.461  -3.528   2.979
   35   1HB   TYR   5           HB2      TYR   5  62.168  -4.912   1.751
   36   2HB   TYR   5           HB1      TYR   5  61.755  -5.772   3.226
   37    HD1  TYR   5           HD1      TYR   5  59.794  -4.913   4.630
   38    HD2  TYR   5           HD2      TYR   5  60.554  -3.650   0.605
   39    HE1  TYR   5           HE1      TYR   5  57.457  -4.121   4.437
   40    HE2  TYR   5           HE2      TYR   5  58.221  -2.850   0.404
   41    HH   TYR   5           HH       TYR   5  55.802  -3.738   2.488
   42    H    TYR   6           HN       TYR   6  60.927  -3.709   5.485
   43    HA   TYR   6           HA       TYR   6  59.948  -1.004   4.879
   44   1HB   TYR   6           HB2      TYR   6  58.165  -1.788   6.043
   45   2HB   TYR   6           HB1      TYR   6  58.995  -3.336   6.099
   46    HD1  TYR   6           HD1      TYR   6  59.298  -0.021   7.882
   47    HD2  TYR   6           HD2      TYR   6  59.057  -4.297   8.193
   48    HE1  TYR   6           HE1      TYR   6  59.447   0.137  10.343
   49    HE2  TYR   6           HE2      TYR   6  59.204  -4.124  10.661
   50    HH   TYR   6           HH       TYR   6  58.922  -1.109  12.309
   51    H    GLU   7           HN       GLU   7  61.745  -2.650   7.455
   52    HA   GLU   7           HA       GLU   7  62.374  -0.225   8.897
   53   1HB   GLU   7           HB2      GLU   7  63.052  -3.115   8.895
   54   2HB   GLU   7           HB1      GLU   7  64.270  -2.055   9.605
   55   1HG   GLU   7           HG2      GLU   7  61.736  -1.171  10.549
   56   2HG   GLU   7           HG1      GLU   7  61.786  -2.922  10.751
   57    H    ILE   8           HN       ILE   8  63.724  -1.977   6.178
   58    HA   ILE   8           HA       ILE   8  66.387  -1.224   6.075
   59    HB   ILE   8           HB       ILE   8  64.157  -1.477   4.079
   60   1HG1  ILE   8          HG12      ILE   8  66.734  -2.933   4.718
   61   2HG1  ILE   8          HG11      ILE   8  65.084  -3.531   4.883
   62   1HG2  ILE   8          HG22      ILE   8  65.612   0.351   3.223
   63   2HG2  ILE   8          HG21      ILE   8  67.004  -0.723   3.356
   64   3HG2  ILE   8          HG23      ILE   8  65.705  -1.100   2.224
   65   1HD1  ILE   8          HD13      ILE   8  65.163  -2.850   2.223
   66   2HD1  ILE   8          HD12      ILE   8  66.809  -3.423   2.498
   67   3HD1  ILE   8          HD11      ILE   8  65.438  -4.477   2.848
   68    H    LEU   9           HN       LEU   9  63.551   0.860   5.640
   69    HA   LEU   9           HA       LEU   9  65.358   3.182   5.079
   70   1HB   LEU   9           HB2      LEU   9  62.334   2.993   4.976
   71   2HB   LEU   9           HB1      LEU   9  63.353   4.221   4.226
   72    HG   LEU   9           HG       LEU   9  64.164   1.559   3.400
   73   1HD1  LEU   9          HD12      LEU   9  61.266   2.343   3.144
   74   2HD1  LEU   9          HD11      LEU   9  62.038   1.342   1.913
   75   3HD1  LEU   9          HD13      LEU   9  61.951   0.778   3.582
   76   1HD2  LEU   9          HD23      LEU   9  63.100   4.013   1.970
   77   2HD2  LEU   9          HD22      LEU   9  64.796   3.600   2.230
   78   3HD2  LEU   9          HD21      LEU   9  63.802   2.613   1.162
   79    H    GLY  10           HN       GLY  10  65.010   1.959   7.814
   80   1HA   GLY  10           HA2      GLY  10  64.453   2.636  10.010
   81   2HA   GLY  10           HA1      GLY  10  64.955   4.227   9.430
   82    H    VAL  11           HN       VAL  11  62.158   2.020   9.249
   83    HA   VAL  11           HA       VAL  11  60.359   4.389   9.619
   84    HB   VAL  11           HB       VAL  11  59.788   2.126   7.694
   85   1HG1  VAL  11          HG13      VAL  11  58.544   4.619   8.463
   86   2HG1  VAL  11          HG12      VAL  11  58.892   4.609   6.733
   87   3HG1  VAL  11          HG11      VAL  11  57.911   3.327   7.444
   88   1HG2  VAL  11          HG22      VAL  11  61.496   4.577   7.230
   89   2HG2  VAL  11          HG21      VAL  11  61.884   2.895   6.868
   90   3HG2  VAL  11          HG23      VAL  11  60.676   3.745   5.909
   91    H    SER  12           HN       SER  12  57.996   2.745   9.289
   92    HA   SER  12           HA       SER  12  58.210   0.812  11.557
   93   1HB   SER  12           HB2      SER  12  57.190   2.976  12.218
   94   2HB   SER  12           HB1      SER  12  56.013   2.809  10.918
   95    HG   SER  12           HG       SER  12  54.899   1.720  12.319
   96    H    LYS  13           HN       LYS  13  57.524   1.276   8.316
   97    HA   LYS  13           HA       LYS  13  56.651  -0.202   6.711
   98   1HB   LYS  13           HB2      LYS  13  56.840  -2.346   7.368
   99   2HB   LYS  13           HB1      LYS  13  57.173  -1.742   8.985
  100   1HG   LYS  13           HG2      LYS  13  54.622  -1.697   9.327
  101   2HG   LYS  13           HG1      LYS  13  54.525  -2.666   7.856
  102   1HD   LYS  13           HD2      LYS  13  56.363  -4.125   9.081
  103   2HD   LYS  13           HD1      LYS  13  55.679  -3.384  10.527
  104   1HE   LYS  13           HE2      LYS  13  53.478  -4.252  10.023
  105   2HE   LYS  13           HE1      LYS  13  54.011  -4.810   8.424
  106   1HZ   LYS  13           HZ1      LYS  13  55.716  -6.163   9.578
  107   2HZ   LYS  13           HZ3      LYS  13  55.011  -5.742  11.062
  108   3HZ   LYS  13           HZ2      LYS  13  54.127  -6.650   9.931
  109    H    THR  14           HN       THR  14  54.639   0.310   9.626
  110    HA   THR  14           HA       THR  14  52.182   0.317   7.982
  111    HB   THR  14           HB       THR  14  51.091   0.362  10.104
  112    HG1  THR  14           HG1      THR  14  53.528   1.485  10.953
  113   1HG2  THR  14          HG21      THR  14  52.647  -1.658   9.562
  114   2HG2  THR  14          HG23      THR  14  53.656  -1.017  10.859
  115   3HG2  THR  14          HG22      THR  14  51.995  -1.508  11.194
  116    H    ALA  15           HN       ALA  15  54.654   2.436   8.486
  117    HA   ALA  15           HA       ALA  15  53.548   4.904   9.278
  118   1HB   ALA  15           HB2      ALA  15  55.968   4.061   8.566
  119   2HB   ALA  15           HB1      ALA  15  55.483   4.686   6.990
  120   3HB   ALA  15           HB3      ALA  15  55.534   5.761   8.386
  121    H    GLU  16           HN       GLU  16  54.190   6.420   6.928
  122    HA   GLU  16           HA       GLU  16  52.192   5.688   4.893
  123   1HB   GLU  16           HB2      GLU  16  51.718   7.405   7.126
  124   2HB   GLU  16           HB1      GLU  16  51.799   8.435   5.697
  125   1HG   GLU  16           HG2      GLU  16  50.317   6.238   4.847
  126   2HG   GLU  16           HG1      GLU  16  49.746   6.519   6.491
  127    H    GLU  17           HN       GLU  17  52.324   8.516   4.015
  128    HA   GLU  17           HA       GLU  17  54.897   8.393   2.593
  129   1HB   GLU  17           HB2      GLU  17  52.314   9.910   2.433
  130   2HB   GLU  17           HB1      GLU  17  53.738  10.600   1.654
  131   1HG   GLU  17           HG2      GLU  17  53.668   7.825   1.007
  132   2HG   GLU  17           HG1      GLU  17  52.057   8.483   0.713
  133    H    ARG  18           HN       ARG  18  54.039   9.443   5.579
  134    HA   ARG  18           HA       ARG  18  55.442  12.033   5.470
  135   1HB   ARG  18           HB2      ARG  18  54.929  11.763   8.079
  136   2HB   ARG  18           HB1      ARG  18  53.680  12.256   6.945
  137   1HG   ARG  18           HG2      ARG  18  52.906  10.474   8.492
  138   2HG   ARG  18           HG1      ARG  18  52.846   9.959   6.812
  139   1HD   ARG  18           HD2      ARG  18  53.827   8.220   8.346
  140   2HD   ARG  18           HD1      ARG  18  54.966   8.736   7.091
  141    HE   ARG  18           HE       ARG  18  56.114  10.104   8.752
  142   1HH1  ARG  18          HH11      ARG  18  55.254  11.179  10.872
  143   2HH1  ARG  18          HH12      ARG  18  54.942  10.014  12.114
  144   1HH2  ARG  18          HH21      ARG  18  54.959   7.305   9.946
  145   2HH2  ARG  18          HH22      ARG  18  54.777   7.818  11.591
  146    H    GLU  19           HN       GLU  19  56.311   8.794   5.930
  147    HA   GLU  19           HA       GLU  19  58.833   9.688   7.254
  148   1HB   GLU  19           HB2      GLU  19  56.934   7.751   8.051
  149   2HB   GLU  19           HB1      GLU  19  58.358   6.861   7.494
  150   1HG   GLU  19           HG2      GLU  19  59.718   7.737   9.105
  151   2HG   GLU  19           HG1      GLU  19  58.857   9.277   9.142
  152    H    ILE  20           HN       ILE  20  57.333   7.620   4.806
  153    HA   ILE  20           HA       ILE  20  59.828   6.550   3.876
  154    HB   ILE  20           HB       ILE  20  57.035   6.394   3.276
  155   1HG1  ILE  20          HG12      ILE  20  57.749   4.287   2.260
  156   2HG1  ILE  20          HG11      ILE  20  59.415   4.861   2.199
  157   1HG2  ILE  20          HG22      ILE  20  58.799   7.106   0.926
  158   2HG2  ILE  20          HG21      ILE  20  57.367   6.095   0.727
  159   3HG2  ILE  20          HG23      ILE  20  57.205   7.744   1.329
  160   1HD1  ILE  20          HD13      ILE  20  58.301   5.150   4.872
  161   2HD1  ILE  20          HD12      ILE  20  58.222   3.476   4.326
  162   3HD1  ILE  20          HD11      ILE  20  59.770   4.320   4.360
  163    H    ARG  21           HN       ARG  21  58.340   9.661   3.677
  164    HA   ARG  21           HA       ARG  21  59.889  10.435   1.290
  165   1HB   ARG  21           HB2      ARG  21  58.140  11.875   1.125
  166   2HB   ARG  21           HB1      ARG  21  57.520  11.266   2.653
  167   1HG   ARG  21           HG2      ARG  21  59.704  13.346   2.599
  168   2HG   ARG  21           HG1      ARG  21  58.010  13.807   2.459
  169   1HD   ARG  21           HD2      ARG  21  58.365  11.898   4.623
  170   2HD   ARG  21           HD1      ARG  21  59.390  13.329   4.854
  171    HE   ARG  21           HE       ARG  21  56.430  13.420   4.439
  172   1HH1  ARG  21          HH21      ARG  21  58.961  15.502   4.064
  173   2HH1  ARG  21          HH22      ARG  21  58.472  16.638   5.275
  174   1HH2  ARG  21          HH11      ARG  21  55.991  14.594   6.572
  175   2HH2  ARG  21          HH12      ARG  21  56.795  16.122   6.699
  176    H    LYS  22           HN       LYS  22  59.971  10.818   4.766
  177    HA   LYS  22           HA       LYS  22  62.317  12.602   4.654
  178   1HB   LYS  22           HB2      LYS  22  60.201  12.364   6.346
  179   2HB   LYS  22           HB1      LYS  22  61.355  11.317   7.168
  180   1HG   LYS  22           HG2      LYS  22  62.153  14.070   6.229
  181   2HG   LYS  22           HG1      LYS  22  61.354  13.837   7.783
  182   1HD   LYS  22           HD2      LYS  22  63.978  12.618   6.880
  183   2HD   LYS  22           HD1      LYS  22  63.738  13.794   8.174
  184   1HE   LYS  22           HE2      LYS  22  62.027  11.771   8.936
  185   2HE   LYS  22           HE1      LYS  22  63.384  10.872   8.232
  186   1HZ   LYS  22           HZ2      LYS  22  64.824  12.541   9.505
  187   2HZ   LYS  22           HZ1      LYS  22  63.427  12.860  10.417
  188   3HZ   LYS  22           HZ3      LYS  22  64.086  11.297  10.396
  189    H    ALA  23           HN       ALA  23  61.361   9.278   5.154
  190    HA   ALA  23           HA       ALA  23  63.958   8.362   6.160
  191   1HB   ALA  23           HB3      ALA  23  61.545   6.948   4.967
  192   2HB   ALA  23           HB2      ALA  23  62.888   6.132   5.767
  193   3HB   ALA  23           HB1      ALA  23  61.847   7.221   6.683
  194    H    TYR  24           HN       TYR  24  62.202   7.696   3.079
  195    HA   TYR  24           HA       TYR  24  64.277   6.525   1.629
  196   1HB   TYR  24           HB2      TYR  24  62.077   6.746   0.675
  197   2HB   TYR  24           HB1      TYR  24  62.121   8.501   0.841
  198    HD1  TYR  24           HD2      TYR  24  65.098   6.652  -0.252
  199    HD2  TYR  24           HD1      TYR  24  61.650   8.864  -1.543
  200    HE1  TYR  24           HE2      TYR  24  66.088   6.878  -2.513
  201    HE2  TYR  24           HE1      TYR  24  62.643   9.092  -3.804
  202    HH   TYR  24           HH       TYR  24  65.668   7.460  -4.654
  203    H    LYS  25           HN       LYS  25  63.748   9.911   2.431
  204    HA   LYS  25           HA       LYS  25  66.040  10.839   0.826
  205   1HB   LYS  25           HB2      LYS  25  63.838  12.046   1.152
  206   2HB   LYS  25           HB1      LYS  25  64.299  12.297   2.836
  207   1HG   LYS  25           HG2      LYS  25  66.276  13.065   0.733
  208   2HG   LYS  25           HG1      LYS  25  64.867  14.104   0.952
  209   1HD   LYS  25           HD2      LYS  25  65.506  13.827   3.522
  210   2HD   LYS  25           HD1      LYS  25  67.107  13.527   2.843
  211   1HE   LYS  25           HE2      LYS  25  67.393  15.741   2.464
  212   2HE   LYS  25           HE1      LYS  25  65.892  15.798   1.518
  213   1HZ   LYS  25           HZ3      LYS  25  65.782  15.573   4.454
  214   2HZ   LYS  25           HZ2      LYS  25  66.012  17.095   3.735
  215   3HZ   LYS  25           HZ1      LYS  25  64.618  16.190   3.386
  216    H    ARG  26           HN       ARG  26  65.152  10.651   4.317
  217    HA   ARG  26           HA       ARG  26  67.762  11.608   5.200
  218   1HB   ARG  26           HB2      ARG  26  65.714  11.826   6.536
  219   2HB   ARG  26           HB1      ARG  26  65.556  10.070   6.606
  220   1HG   ARG  26           HG2      ARG  26  66.571  10.878   8.677
  221   2HG   ARG  26           HG1      ARG  26  67.755   9.945   7.761
  222   1HD   ARG  26           HD2      ARG  26  69.126  11.750   7.950
  223   2HD   ARG  26           HD1      ARG  26  68.046  12.567   6.802
  224    HE   ARG  26           HE       ARG  26  66.791  13.466   8.718
  225   1HH1  ARG  26          HH21      ARG  26  66.785  12.409  11.102
  226   2HH1  ARG  26          HH22      ARG  26  68.246  12.810  11.939
  227   1HH2  ARG  26          HH11      ARG  26  69.956  13.725   9.063
  228   2HH2  ARG  26          HH12      ARG  26  70.043  13.557  10.785
  229    H    LEU  27           HN       LEU  27  66.417   8.398   4.523
  230    HA   LEU  27           HA       LEU  27  68.717   7.038   5.770
  231   1HB   LEU  27           HB2      LEU  27  66.053   6.433   4.984
  232   2HB   LEU  27           HB1      LEU  27  67.120   5.363   4.073
  233    HG   LEU  27           HG       LEU  27  66.499   4.382   6.269
  234   1HD1  LEU  27          HD13      LEU  27  68.935   4.383   5.080
  235   2HD1  LEU  27          HD12      LEU  27  69.367   5.073   6.644
  236   3HD1  LEU  27          HD11      LEU  27  68.594   3.490   6.563
  237   1HD2  LEU  27          HD22      LEU  27  66.347   6.680   7.385
  238   2HD2  LEU  27          HD21      LEU  27  67.151   5.425   8.327
  239   3HD2  LEU  27          HD23      LEU  27  68.106   6.644   7.485
  240    H    ALA  28           HN       ALA  28  67.765   8.145   2.584
  241    HA   ALA  28           HA       ALA  28  69.585   6.443   1.097
  242   1HB   ALA  28           HB3      ALA  28  68.020   8.960   0.627
  243   2HB   ALA  28           HB2      ALA  28  69.195   8.421  -0.572
  244   3HB   ALA  28           HB1      ALA  28  67.837   7.382  -0.138
  245    H    MET  29           HN       MET  29  69.865   9.404   2.902
  246    HA   MET  29           HA       MET  29  72.069  10.719   1.841
  247   1HB   MET  29           HB2      MET  29  70.713  11.111   3.961
  248   2HB   MET  29           HB1      MET  29  71.761   9.918   4.731
  249   1HG   MET  29           HG2      MET  29  73.660  11.262   4.545
  250   2HG   MET  29           HG1      MET  29  72.979  12.213   3.226
  251   1HE   MET  29           HE3      MET  29  74.502  12.610   5.778
  252   2HE   MET  29           HE2      MET  29  73.940  14.132   6.463
  253   3HE   MET  29           HE1      MET  29  73.563  12.617   7.277
  254    H    LYS  30           HN       LYS  30  72.028   7.919   3.980
  255    HA   LYS  30           HA       LYS  30  74.734   7.318   4.298
  256   1HB   LYS  30           HB2      LYS  30  72.113   6.057   4.374
  257   2HB   LYS  30           HB1      LYS  30  73.351   4.916   3.840
  258   1HG   LYS  30           HG2      LYS  30  73.721   4.645   6.073
  259   2HG   LYS  30           HG1      LYS  30  74.667   6.122   5.889
  260   1HD   LYS  30           HD2      LYS  30  71.809   6.648   6.251
  261   2HD   LYS  30           HD1      LYS  30  72.526   5.795   7.619
  262   1HE   LYS  30           HE2      LYS  30  74.159   8.028   6.545
  263   2HE   LYS  30           HE1      LYS  30  72.645   8.501   7.341
  264   1HZ   LYS  30           HZ3      LYS  30  74.391   6.449   8.540
  265   2HZ   LYS  30           HZ2      LYS  30  74.710   8.097   8.798
  266   3HZ   LYS  30           HZ1      LYS  30  73.228   7.429   9.292
  267    H    TYR  31           HN       TYR  31  72.754   7.188   1.460
  268    HA   TYR  31           HA       TYR  31  74.964   5.763  -0.012
  269   1HB   TYR  31           HB2      TYR  31  72.051   5.816  -0.810
  270   2HB   TYR  31           HB1      TYR  31  73.293   4.645  -1.264
  271    HD1  TYR  31           HD2      TYR  31  74.568   3.906   1.213
  272    HD2  TYR  31           HD1      TYR  31  70.420   4.733   0.462
  273    HE1  TYR  31           HE2      TYR  31  73.935   2.482   3.142
  274    HE2  TYR  31           HE1      TYR  31  69.788   3.310   2.392
  275    HH   TYR  31           HH       TYR  31  70.868   2.517   4.521
  276    H    HIS  32           HN       HIS  32  72.756   8.491   0.030
  277    HA   HIS  32           HA       HIS  32  72.609   9.483  -2.506
  278   1HB   HIS  32           HB2      HIS  32  72.838  10.524   0.195
  279   2HB   HIS  32           HB1      HIS  32  73.487  11.665  -0.986
  280    HD1  HIS  32           HD1      HIS  32  71.523  13.302  -1.025
  281    HD2  HIS  32           HD2      HIS  32  70.357   9.367  -1.756
  282    HE1  HIS  32           HE1      HIS  32  69.108  13.398  -1.779
  283    HA   PRO  33           HA       PRO  33  76.436  10.221  -4.440
  284   1HB   PRO  33           HB2      PRO  33  76.183  12.843  -5.256
  285   2HB   PRO  33           HB1      PRO  33  75.361  11.475  -6.035
  286   1HG   PRO  33           HG2      PRO  33  74.327  13.342  -3.935
  287   2HG   PRO  33           HG1      PRO  33  73.562  12.826  -5.454
  288   1HD   PRO  33           HD2      PRO  33  72.855  11.664  -3.191
  289   2HD   PRO  33           HD1      PRO  33  73.125  10.669  -4.644
  290    H    ASP  34           HN       ASP  34  77.906  12.660  -4.596
  291    HA   ASP  34           HA       ASP  34  79.496  13.909  -3.354
  292   1HB   ASP  34           HB2      ASP  34  77.253  14.284  -2.000
  293   2HB   ASP  34           HB1      ASP  34  77.975  13.153  -0.855
  294    H    ARG  35           HN       ARG  35  78.390  11.358  -1.115
  295    HA   ARG  35           HA       ARG  35  81.110  10.345  -0.730
  296   1HB   ARG  35           HB2      ARG  35  79.992   8.981   0.886
  297   2HB   ARG  35           HB1      ARG  35  79.094  10.492   0.913
  298   1HG   ARG  35           HG2      ARG  35  77.473   9.500  -0.710
  299   2HG   ARG  35           HG1      ARG  35  78.335   7.966  -0.591
  300   1HD   ARG  35           HD2      ARG  35  76.920   9.430   1.667
  301   2HD   ARG  35           HD1      ARG  35  76.474   7.863   0.963
  302    HE   ARG  35           HE       ARG  35  78.651   8.318   2.853
  303   1HH1  ARG  35          HH21      ARG  35  80.177   7.118   0.690
  304   2HH1  ARG  35          HH22      ARG  35  79.921   5.417   0.896
  305   1HH2  ARG  35          HH11      ARG  35  77.147   5.811   2.940
  306   2HH2  ARG  35          HH12      ARG  35  78.208   4.677   2.172
  307    H    ASN  36           HN       ASN  36  78.283   9.815  -2.669
  308    HA   ASN  36           HA       ASN  36  79.326   7.288  -3.831
  309   1HB   ASN  36           HB2      ASN  36  76.675   8.641  -3.375
  310   2HB   ASN  36           HB1      ASN  36  76.816   7.589  -4.774
  311   1HD2  ASN  36          HD22      ASN  36  76.068   4.866  -2.688
  312   2HD2  ASN  36          HD21      ASN  36  75.651   5.769  -4.063
  313    H    GLN  37           HN       GLN  37  77.664   7.789  -6.194
  314    HA   GLN  37           HA       GLN  37  78.652  10.217  -7.488
  315   1HB   GLN  37           HB2      GLN  37  79.573   7.427  -8.233
  316   2HB   GLN  37           HB1      GLN  37  79.846   8.851  -9.240
  317   1HG   GLN  37           HG2      GLN  37  80.960   9.917  -7.208
  318   2HG   GLN  37           HG1      GLN  37  80.915   8.321  -6.459
  319   1HE2  GLN  37          HE22      GLN  37  84.117   8.903  -8.488
  320   2HE2  GLN  37          HE21      GLN  37  83.309   9.915  -7.390
  321    H    GLY  38           HN       GLY  38  76.175  10.118  -7.263
  322   1HA   GLY  38           HA2      GLY  38  74.209  10.143  -8.605
  323   2HA   GLY  38           HA1      GLY  38  75.073   9.210  -9.836
  324    H    ASP  39           HN       ASP  39  75.993   7.059  -8.499
  325    HA   ASP  39           HA       ASP  39  73.840   5.854  -6.877
  326   1HB   ASP  39           HB2      ASP  39  74.615   4.904  -9.651
  327   2HB   ASP  39           HB1      ASP  39  73.608   3.981  -8.536
  328    H    LYS  40           HN       LYS  40  75.942   3.885  -8.813
  329    HA   LYS  40           HA       LYS  40  77.738   2.512  -8.235
  330   1HB   LYS  40           HB2      LYS  40  78.127   4.917  -6.510
  331   2HB   LYS  40           HB1      LYS  40  79.314   3.625  -6.556
  332   1HG   LYS  40           HG2      LYS  40  78.386   5.365  -8.856
  333   2HG   LYS  40           HG1      LYS  40  80.005   5.288  -8.160
  334   1HD   LYS  40           HD2      LYS  40  80.450   3.782  -9.789
  335   2HD   LYS  40           HD1      LYS  40  79.497   2.652  -8.825
  336   1HE   LYS  40           HE2      LYS  40  77.474   3.878 -10.082
  337   2HE   LYS  40           HE1      LYS  40  78.737   4.124 -11.305
  338   1HZ   LYS  40           HZ3      LYS  40  78.545   1.502 -10.009
  339   2HZ   LYS  40           HZ2      LYS  40  77.390   1.883 -11.194
  340   3HZ   LYS  40           HZ1      LYS  40  79.045   1.890 -11.583
  341    H    GLU  41           HN       GLU  41  76.996   3.918  -5.062
  342    HA   GLU  41           HA       GLU  41  76.721   1.149  -3.985
  343   1HB   GLU  41           HB2      GLU  41  77.605   3.789  -3.043
  344   2HB   GLU  41           HB1      GLU  41  76.537   2.977  -1.900
  345   1HG   GLU  41           HG2      GLU  41  78.114   1.451  -1.358
  346   2HG   GLU  41           HG1      GLU  41  78.516   1.160  -3.051
  347    H    ALA  42           HN       ALA  42  74.933   3.922  -4.928
  348    HA   ALA  42           HA       ALA  42  72.552   3.244  -3.318
  349   1HB   ALA  42           HB1      ALA  42  73.602   5.459  -4.938
  350   2HB   ALA  42           HB3      ALA  42  71.891   5.153  -5.235
  351   3HB   ALA  42           HB2      ALA  42  72.453   5.504  -3.601
  352    H    GLU  43           HN       GLU  43  73.991   2.567  -6.402
  353    HA   GLU  43           HA       GLU  43  71.798   2.065  -8.083
  354   1HB   GLU  43           HB2      GLU  43  74.426   1.805  -8.282
  355   2HB   GLU  43           HB1      GLU  43  74.084   0.127  -7.860
  356   1HG   GLU  43           HG2      GLU  43  72.375   1.350  -9.970
  357   2HG   GLU  43           HG1      GLU  43  74.048   1.003 -10.406
  358    H    ALA  44           HN       ALA  44  73.281  -0.179  -5.707
  359    HA   ALA  44           HA       ALA  44  71.095  -2.128  -6.067
  360   1HB   ALA  44           HB1      ALA  44  73.759  -2.137  -5.206
  361   2HB   ALA  44           HB3      ALA  44  72.837  -2.406  -3.726
  362   3HB   ALA  44           HB2      ALA  44  72.639  -3.494  -5.100
  363    H    LYS  45           HN       LYS  45  72.312  -0.143  -3.310
  364    HA   LYS  45           HA       LYS  45  70.232  -0.640  -1.516
  365   1HB   LYS  45           HB2      LYS  45  72.323   1.252  -1.890
  366   2HB   LYS  45           HB1      LYS  45  70.858   2.159  -1.489
  367   1HG   LYS  45           HG2      LYS  45  71.146   1.560   0.657
  368   2HG   LYS  45           HG1      LYS  45  70.841  -0.112   0.178
  369   1HD   LYS  45           HD2      LYS  45  73.504   0.559  -0.602
  370   2HD   LYS  45           HD1      LYS  45  73.293   1.030   1.085
  371   1HE   LYS  45           HE2      LYS  45  72.335  -1.258   1.541
  372   2HE   LYS  45           HE1      LYS  45  72.779  -1.710  -0.117
  373   1HZ   LYS  45           HZ1      LYS  45  74.814  -0.351   1.465
  374   2HZ   LYS  45           HZ3      LYS  45  74.464  -1.949   1.912
  375   3HZ   LYS  45           HZ2      LYS  45  74.981  -1.604   0.330
  376    H    PHE  46           HN       PHE  46  70.184   1.354  -4.450
  377    HA   PHE  46           HA       PHE  46  67.765   2.779  -4.006
  378   1HB   PHE  46           HB2      PHE  46  69.168   3.214  -5.919
  379   2HB   PHE  46           HB1      PHE  46  69.041   1.542  -6.463
  380    HD1  PHE  46           HD1      PHE  46  67.088   4.667  -5.915
  381    HD2  PHE  46           HD2      PHE  46  67.229   0.826  -7.830
  382    HE1  PHE  46           HE1      PHE  46  65.071   5.251  -7.233
  383    HE2  PHE  46           HE2      PHE  46  65.210   1.409  -9.149
  384    HZ   PHE  46           HZ       PHE  46  64.131   3.621  -8.848
  385    H    LYS  47           HN       LYS  47  68.397  -0.573  -4.479
  386    HA   LYS  47           HA       LYS  47  65.697  -1.300  -5.175
  387   1HB   LYS  47           HB2      LYS  47  66.657  -3.448  -5.473
  388   2HB   LYS  47           HB1      LYS  47  68.031  -2.403  -5.793
  389   1HG   LYS  47           HG2      LYS  47  69.174  -3.287  -4.079
  390   2HG   LYS  47           HG1      LYS  47  67.847  -3.017  -2.959
  391   1HD   LYS  47           HD2      LYS  47  67.589  -5.252  -2.955
  392   2HD   LYS  47           HD1      LYS  47  66.912  -5.058  -4.572
  393   1HE   LYS  47           HE2      LYS  47  68.939  -5.620  -5.628
  394   2HE   LYS  47           HE1      LYS  47  69.897  -5.272  -4.176
  395   1HZ   LYS  47           HZ1      LYS  47  67.777  -7.309  -4.069
  396   2HZ   LYS  47           HZ3      LYS  47  69.280  -7.719  -4.738
  397   3HZ   LYS  47           HZ2      LYS  47  69.187  -7.178  -3.130
  398    H    GLU  48           HN       GLU  48  67.771  -0.930  -2.403
  399    HA   GLU  48           HA       GLU  48  65.769  -2.146  -0.632
  400   1HB   GLU  48           HB2      GLU  48  68.442  -0.769  -0.171
  401   2HB   GLU  48           HB1      GLU  48  67.472  -1.472   1.123
  402   1HG   GLU  48           HG2      GLU  48  67.598  -3.679   0.008
  403   2HG   GLU  48           HG1      GLU  48  68.603  -2.971  -1.258
  404    H    ILE  49           HN       ILE  49  66.354   0.737  -2.224
  405    HA   ILE  49           HA       ILE  49  65.068   2.387  -0.136
  406    HB   ILE  49           HB       ILE  49  66.371   3.036  -2.796
  407   1HG1  ILE  49          HG12      ILE  49  68.274   2.741  -1.576
  408   2HG1  ILE  49          HG11      ILE  49  67.851   4.295  -0.867
  409   1HG2  ILE  49          HG22      ILE  49  64.800   4.601  -0.849
  410   2HG2  ILE  49          HG21      ILE  49  66.293   5.360  -1.405
  411   3HG2  ILE  49          HG23      ILE  49  65.064   4.874  -2.572
  412   1HD1  ILE  49          HD13      ILE  49  66.488   2.967   0.840
  413   2HD1  ILE  49          HD12      ILE  49  67.335   1.542   0.239
  414   3HD1  ILE  49          HD11      ILE  49  68.242   2.861   0.973
  415    H    LYS  50           HN       LYS  50  64.832   2.566  -3.679
  416    HA   LYS  50           HA       LYS  50  62.002   3.209  -3.415
  417   1HB   LYS  50           HB2      LYS  50  64.153   3.325  -5.398
  418   2HB   LYS  50           HB1      LYS  50  62.618   2.834  -6.115
  419   1HG   LYS  50           HG2      LYS  50  62.160   4.973  -4.239
  420   2HG   LYS  50           HG1      LYS  50  63.410   5.452  -5.387
  421   1HD   LYS  50           HD2      LYS  50  61.994   5.242  -7.227
  422   2HD   LYS  50           HD1      LYS  50  60.926   4.106  -6.403
  423   1HE   LYS  50           HE2      LYS  50  59.828   5.804  -5.205
  424   2HE   LYS  50           HE1      LYS  50  61.177   6.940  -5.399
  425   1HZ   LYS  50           HZ3      LYS  50  59.934   5.877  -7.823
  426   2HZ   LYS  50           HZ2      LYS  50  59.061   7.047  -6.954
  427   3HZ   LYS  50           HZ1      LYS  50  60.614   7.404  -7.540
  428    H    GLU  51           HN       GLU  51  63.757   0.244  -3.718
  429    HA   GLU  51           HA       GLU  51  61.476  -1.061  -5.113
  430   1HB   GLU  51           HB2      GLU  51  63.448  -2.011  -5.868
  431   2HB   GLU  51           HB1      GLU  51  64.282  -1.602  -4.404
  432   1HG   GLU  51           HG2      GLU  51  63.979  -3.670  -3.550
  433   2HG   GLU  51           HG1      GLU  51  62.249  -3.588  -3.858
  434    H    ALA  52           HN       ALA  52  62.931  -0.550  -1.998
  435    HA   ALA  52           HA       ALA  52  61.167  -2.459  -0.586
  436   1HB   ALA  52           HB1      ALA  52  63.699  -1.590  -0.226
  437   2HB   ALA  52           HB3      ALA  52  62.848  -0.432   0.795
  438   3HB   ALA  52           HB2      ALA  52  62.696  -2.161   1.107
  439    H    TYR  53           HN       TYR  53  61.942   0.998  -0.268
  440    HA   TYR  53           HA       TYR  53  59.619   1.655   1.277
  441   1HB   TYR  53           HB2      TYR  53  60.970   3.419   1.621
  442   2HB   TYR  53           HB1      TYR  53  62.091   2.724   0.472
  443    HD1  TYR  53           HD1      TYR  53  58.848   4.652   0.320
  444    HD2  TYR  53           HD2      TYR  53  62.856   4.165  -1.125
  445    HE1  TYR  53           HE1      TYR  53  58.557   6.588  -1.190
  446    HE2  TYR  53           HE2      TYR  53  62.567   6.081  -2.636
  447    HH   TYR  53           HH       TYR  53  60.002   7.219  -3.686
  448    H    GLU  54           HN       GLU  54  59.859   1.016  -2.069
  449    HA   GLU  54           HA       GLU  54  58.021   2.950  -3.128
  450   1HB   GLU  54           HB2      GLU  54  59.046   1.806  -4.817
  451   2HB   GLU  54           HB1      GLU  54  59.185   0.326  -3.870
  452   1HG   GLU  54           HG2      GLU  54  56.945  -0.320  -4.381
  453   2HG   GLU  54           HG1      GLU  54  56.541   1.288  -4.983
  454    H    VAL  55           HN       VAL  55  57.476  -0.223  -1.552
  455    HA   VAL  55           HA       VAL  55  54.552   0.254  -1.859
  456    HB   VAL  55           HB       VAL  55  54.457  -1.966  -2.172
  457   1HG1  VAL  55          HG12      VAL  55  56.869  -1.568  -2.937
  458   2HG1  VAL  55          HG11      VAL  55  57.334  -2.349  -1.425
  459   3HG1  VAL  55          HG13      VAL  55  56.372  -3.228  -2.613
  460   1HG2  VAL  55          HG22      VAL  55  55.712  -2.087   0.565
  461   2HG2  VAL  55          HG21      VAL  55  54.041  -2.422   0.116
  462   3HG2  VAL  55          HG23      VAL  55  55.319  -3.551  -0.333
  463    H    LEU  56           HN       LEU  56  56.686   1.325   0.231
  464    HA   LEU  56           HA       LEU  56  55.449   0.497   2.761
  465   1HB   LEU  56           HB2      LEU  56  57.766   1.913   1.748
  466   2HB   LEU  56           HB1      LEU  56  57.024   2.800   3.083
  467    HG   LEU  56           HG       LEU  56  57.103   0.814   4.501
  468   1HD1  LEU  56          HD12      LEU  56  57.391  -0.496   1.962
  469   2HD1  LEU  56          HD11      LEU  56  58.768  -0.921   2.979
  470   3HD1  LEU  56          HD13      LEU  56  57.126  -1.222   3.547
  471   1HD2  LEU  56          HD23      LEU  56  59.398   2.158   3.414
  472   2HD2  LEU  56          HD22      LEU  56  59.181   1.496   5.034
  473   3HD2  LEU  56          HD21      LEU  56  59.827   0.479   3.746
  474    H    THR  57           HN       THR  57  54.353   2.367   0.311
  475    HA   THR  57           HA       THR  57  53.059   4.386   2.114
  476    HB   THR  57           HB       THR  57  53.720   5.876   0.518
  477    HG1  THR  57           HG1      THR  57  52.675   5.809  -1.446
  478   1HG2  THR  57          HG21      THR  57  55.531   4.135   0.044
  479   2HG2  THR  57          HG23      THR  57  54.539   3.609  -1.317
  480   3HG2  THR  57          HG22      THR  57  55.181   5.251  -1.276
  481    H    ASP  58           HN       ASP  58  52.627   1.746  -0.074
  482    HA   ASP  58           HA       ASP  58  49.704   2.221  -0.339
  483   1HB   ASP  58           HB2      ASP  58  51.439   1.577  -2.180
  484   2HB   ASP  58           HB1      ASP  58  51.324  -0.049  -1.497
  485    H    SER  59           HN       SER  59  48.448  -0.013  -0.228
  486    HA   SER  59           HA       SER  59  49.289  -1.420   2.287
  487   1HB   SER  59           HB2      SER  59  47.333  -0.450   2.971
  488   2HB   SER  59           HB1      SER  59  46.789  -0.175   1.319
  489    HG   SER  59           HG       SER  59  46.897  -2.759   2.467
  490    H    GLN  60           HN       GLN  60  47.756  -1.729  -0.896
  491    HA   GLN  60           HA       GLN  60  47.210  -4.529  -0.852
  492   1HB   GLN  60           HB2      GLN  60  47.138  -4.224  -3.293
  493   2HB   GLN  60           HB1      GLN  60  46.397  -2.836  -2.495
  494   1HG   GLN  60           HG2      GLN  60  48.892  -1.915  -2.564
  495   2HG   GLN  60           HG1      GLN  60  49.009  -3.024  -3.932
  496   1HE2  GLN  60          HE22      GLN  60  46.282   0.059  -4.223
  497   2HE2  GLN  60          HE21      GLN  60  46.610  -0.606  -2.696
  498    H    LYS  61           HN       LYS  61  50.186  -2.712  -1.466
  499    HA   LYS  61           HA       LYS  61  51.658  -5.047  -2.446
  500   1HB   LYS  61           HB2      LYS  61  52.680  -2.358  -1.491
  501   2HB   LYS  61           HB1      LYS  61  53.438  -3.446  -2.653
  502   1HG   LYS  61           HG2      LYS  61  51.818  -2.973  -4.322
  503   2HG   LYS  61           HG1      LYS  61  50.716  -2.236  -3.161
  504   1HD   LYS  61           HD2      LYS  61  51.673  -0.220  -3.470
  505   2HD   LYS  61           HD1      LYS  61  53.258  -0.875  -3.067
  506   1HE   LYS  61           HE2      LYS  61  53.388  -1.774  -5.436
  507   2HE   LYS  61           HE1      LYS  61  51.927  -0.830  -5.792
  508   1HZ   LYS  61           HZ1      LYS  61  54.112   0.493  -4.360
  509   2HZ   LYS  61           HZ3      LYS  61  54.311   0.231  -6.024
  510   3HZ   LYS  61           HZ2      LYS  61  52.991   1.141  -5.461
  511    H    ARG  62           HN       ARG  62  51.317  -3.137   0.518
  512    HA   ARG  62           HA       ARG  62  53.383  -4.150   2.114
  513   1HB   ARG  62           HB2      ARG  62  50.474  -3.560   2.771
  514   2HB   ARG  62           HB1      ARG  62  51.760  -3.693   3.972
  515   1HG   ARG  62           HG2      ARG  62  51.952  -1.776   1.649
  516   2HG   ARG  62           HG1      ARG  62  51.164  -1.326   3.163
  517   1HD   ARG  62           HD2      ARG  62  53.849  -2.596   3.412
  518   2HD   ARG  62           HD1      ARG  62  53.807  -0.944   2.767
  519    HE   ARG  62           HE       ARG  62  53.325  -1.602   5.494
  520   1HH1  ARG  62          HH11      ARG  62  50.575  -1.110   5.320
  521   2HH1  ARG  62          HH12      ARG  62  50.400   0.612   5.271
  522   1HH2  ARG  62          HH21      ARG  62  53.701   1.189   4.379
  523   2HH2  ARG  62          HH22      ARG  62  52.168   1.913   4.736
  524    H    ALA  63           HN       ALA  63  50.548  -5.724   0.871
  525    HA   ALA  63           HA       ALA  63  50.908  -8.104   2.617
  526   1HB   ALA  63           HB3      ALA  63  48.749  -6.733   1.463
  527   2HB   ALA  63           HB2      ALA  63  48.890  -8.209   0.509
  528   3HB   ALA  63           HB1      ALA  63  48.670  -8.306   2.256
  529    H    ALA  64           HN       ALA  64  51.474  -6.883  -0.583
  530    HA   ALA  64           HA       ALA  64  52.027  -9.519  -1.792
  531   1HB   ALA  64           HB3      ALA  64  51.051  -7.182  -2.723
  532   2HB   ALA  64           HB2      ALA  64  52.762  -6.914  -3.055
  533   3HB   ALA  64           HB1      ALA  64  51.934  -8.301  -3.763
  534    H    TYR  65           HN       TYR  65  53.827  -6.509  -1.142
  535    HA   TYR  65           HA       TYR  65  56.406  -7.602  -1.829
  536   1HB   TYR  65           HB2      TYR  65  55.192  -5.151  -1.258
  537   2HB   TYR  65           HB1      TYR  65  56.394  -5.347   0.008
  538    HD1  TYR  65           HD1      TYR  65  55.980  -5.654  -3.702
  539    HD2  TYR  65           HD2      TYR  65  58.661  -4.899  -0.432
  540    HE1  TYR  65           HE1      TYR  65  57.788  -5.109  -5.309
  541    HE2  TYR  65           HE2      TYR  65  60.469  -4.354  -2.040
  542    HH   TYR  65           HH       TYR  65  61.002  -4.960  -4.478
  543    H    ASP  66           HN       ASP  66  54.582  -7.343   1.194
  544    HA   ASP  66           HA       ASP  66  56.709  -7.752   2.995
  545   1HB   ASP  66           HB2      ASP  66  54.887  -8.616   4.484
  546   2HB   ASP  66           HB1      ASP  66  54.446  -7.121   3.658
  547    H    GLN  67           HN       GLN  67  54.964 -10.037   0.945
  548    HA   GLN  67           HA       GLN  67  56.371 -12.335   2.222
  549   1HB   GLN  67           HB2      GLN  67  54.737 -13.656   0.951
  550   2HB   GLN  67           HB1      GLN  67  53.912 -12.374   1.836
  551   1HG   GLN  67           HG2      GLN  67  53.567 -11.085  -0.102
  552   2HG   GLN  67           HG1      GLN  67  54.819 -11.941  -1.004
  553   1HE2  GLN  67          HE22      GLN  67  51.624 -13.334  -2.238
  554   2HE2  GLN  67          HE21      GLN  67  52.461 -11.861  -2.342
  555    H    TYR  68           HN       TYR  68  56.311 -10.435  -0.730
  556    HA   TYR  68           HA       TYR  68  58.156 -12.370  -2.064
  557   1HB   TYR  68           HB2      TYR  68  56.240 -10.225  -2.872
  558   2HB   TYR  68           HB1      TYR  68  57.634 -10.496  -3.923
  559    HD1  TYR  68           HD1      TYR  68  58.142 -13.015  -4.515
  560    HD2  TYR  68           HD2      TYR  68  54.345 -11.564  -3.126
  561    HE1  TYR  68           HE1      TYR  68  57.025 -15.009  -5.480
  562    HE2  TYR  68           HE2      TYR  68  53.230 -13.558  -4.089
  563    HH   TYR  68           HH       TYR  68  53.898 -15.923  -4.699
  564    H    GLY  69           HN       GLY  69  57.892  -8.795  -2.006
  565   1HA   GLY  69           HA2      GLY  69  59.536  -7.161  -1.611
  566   2HA   GLY  69           HA1      GLY  69  60.497  -8.412  -0.821
  567    H    HIS  70           HN       HIS  70  59.322  -8.608  -4.152
  568    HA   HIS  70           HA       HIS  70  61.946  -7.867  -5.251
  569   1HB   HIS  70           HB2      HIS  70  62.047 -10.241  -4.313
  570   2HB   HIS  70           HB1      HIS  70  60.892 -10.687  -5.574
  571    HD1  HIS  70           HD1      HIS  70  64.009  -8.478  -5.679
  572    HD2  HIS  70           HD2      HIS  70  62.402 -11.812  -7.594
  573    HE1  HIS  70           HE1      HIS  70  65.629  -9.089  -7.527
  574    H    ALA  71           HN       ALA  71  60.597 -10.110  -7.303
  575    HA   ALA  71           HA       ALA  71  59.430  -7.998  -8.992
  576   1HB   ALA  71           HB1      ALA  71  60.069 -10.940  -9.241
  577   2HB   ALA  71           HB3      ALA  71  59.190 -10.081 -10.506
  578   3HB   ALA  71           HB2      ALA  71  60.828  -9.585 -10.078
  579    H    ALA  72           HN       ALA  72  58.104  -8.888  -6.426
  580    HA   ALA  72           HA       ALA  72  55.954 -10.564  -6.524
  581   1HB   ALA  72           HB1      ALA  72  56.751  -8.571  -4.924
  582   2HB   ALA  72           HB3      ALA  72  55.402  -7.743  -5.703
  583   3HB   ALA  72           HB2      ALA  72  55.122  -9.243  -4.817
  584    H    PHE  73           HN       PHE  73  55.744  -7.198  -7.767
  585    HA   PHE  73           HA       PHE  73  53.564  -8.135  -9.608
  586   1HB   PHE  73           HB2      PHE  73  53.646  -6.151  -7.557
  587   2HB   PHE  73           HB1      PHE  73  53.498  -5.312  -9.101
  588    HD1  PHE  73           HD2      PHE  73  51.899  -6.920 -10.796
  589    HD2  PHE  73           HD1      PHE  73  51.568  -6.428  -6.542
  590    HE1  PHE  73           HE2      PHE  73  49.501  -7.539 -10.910
  591    HE2  PHE  73           HE1      PHE  73  49.169  -7.046  -6.657
  592    HZ   PHE  73           HZ       PHE  73  48.135  -7.602  -8.842
  593    H    GLU  74           HN       GLU  74  55.150  -8.504 -11.322
  594    HA   GLU  74           HA       GLU  74  55.986  -5.973 -12.656
  595   1HB   GLU  74           HB2      GLU  74  57.696  -7.589 -11.151
  596   2HB   GLU  74           HB1      GLU  74  58.003  -8.082 -12.817
  597   1HG   GLU  74           HG2      GLU  74  59.442  -6.281 -12.698
  598   2HG   GLU  74           HG1      GLU  74  57.980  -5.440 -13.210
  599    H    GLN  75           HN       GLN  75  53.830  -7.440 -13.488
  600    HA   GLN  75           HA       GLN  75  54.332  -9.610 -15.275
  601   1HB   GLN  75           HB2      GLN  75  52.085  -8.927 -16.160
  602   2HB   GLN  75           HB1      GLN  75  52.130  -9.020 -14.399
  603   1HG   GLN  75           HG2      GLN  75  51.348  -6.902 -14.383
  604   2HG   GLN  75           HG1      GLN  75  52.941  -6.409 -14.957
  605   1HE2  GLN  75          HE22      GLN  75  50.924  -5.012 -17.597
  606   2HE2  GLN  75          HE21      GLN  75  51.595  -4.643 -16.083
  607    H    GLY  76           HN       GLY  76  55.048  -6.248 -15.569
  608   1HA   GLY  76           HA2      GLY  76  55.849  -6.700 -18.395
  609   2HA   GLY  76           HA1      GLY  76  54.817  -5.317 -18.035
  610    H    GLY  77           HN       GLY  77  55.956  -4.537 -15.564
  611   1HA   GLY  77           HA2      GLY  77  58.819  -4.291 -15.709
  612   2HA   GLY  77           HA1      GLY  77  58.052  -2.845 -16.368
   
  No H/Q in entry =         612
  Start of MODEL    4
    1   1H    ALA   1           HT3      ALA   1  63.664 -13.093  11.851
    2   2H    ALA   1           HT2      ALA   1  62.325 -13.582  12.774
    3   3H    ALA   1           HT1      ALA   1  63.740 -14.522  12.762
    4    HA   ALA   1           HA       ALA   1  63.317 -15.422  10.711
    5   1HB   ALA   1           HB2      ALA   1  60.934 -14.806  12.373
    6   2HB   ALA   1           HB1      ALA   1  60.597 -15.398  10.746
    7   3HB   ALA   1           HB3      ALA   1  61.566 -16.369  11.855
    8    H    LYS   2           HN       LYS   2  64.005 -14.091   8.976
    9    HA   LYS   2           HA       LYS   2  63.761 -12.628   7.135
   10   1HB   LYS   2           HB2      LYS   2  61.376 -14.183   7.580
   11   2HB   LYS   2           HB1      LYS   2  60.926 -12.604   6.935
   12   1HG   LYS   2           HG2      LYS   2  63.145 -13.304   5.419
   13   2HG   LYS   2           HG1      LYS   2  62.283 -14.831   5.610
   14   1HD   LYS   2           HD2      LYS   2  60.556 -14.154   4.302
   15   2HD   LYS   2           HD1      LYS   2  60.530 -12.543   5.019
   16   1HE   LYS   2           HE2      LYS   2  61.259 -12.034   2.856
   17   2HE   LYS   2           HE1      LYS   2  62.819 -12.290   3.663
   18   1HZ   LYS   2           HZ2      LYS   2  61.364 -14.607   2.592
   19   2HZ   LYS   2           HZ1      LYS   2  62.237 -13.625   1.515
   20   3HZ   LYS   2           HZ3      LYS   2  63.035 -14.389   2.801
   21    H    GLN   3           HN       GLN   3  64.306 -10.555   7.836
   22    HA   GLN   3           HA       GLN   3  62.464  -9.004   9.548
   23   1HB   GLN   3           HB2      GLN   3  65.259  -9.025   8.732
   24   2HB   GLN   3           HB1      GLN   3  64.575  -7.403   8.615
   25   1HG   GLN   3           HG2      GLN   3  65.552  -7.966  10.879
   26   2HG   GLN   3           HG1      GLN   3  63.865  -7.454  10.917
   27   1HE2  GLN   3          HE22      GLN   3  64.524 -11.502  11.319
   28   2HE2  GLN   3          HE21      GLN   3  65.469 -10.620  10.219
   29    H    ASP   4           HN       ASP   4  60.798  -7.955   8.622
   30    HA   ASP   4           HA       ASP   4  60.195  -7.560   5.947
   31   1HB   ASP   4           HB2      ASP   4  58.922  -7.071   8.136
   32   2HB   ASP   4           HB1      ASP   4  59.706  -5.492   8.096
   33    H    TYR   5           HN       TYR   5  60.152  -5.294   4.822
   34    HA   TYR   5           HA       TYR   5  62.912  -4.159   4.974
   35   1HB   TYR   5           HB2      TYR   5  61.426  -3.260   2.677
   36   2HB   TYR   5           HB1      TYR   5  62.860  -4.285   2.724
   37    HD1  TYR   5           HD1      TYR   5  62.630  -6.755   2.870
   38    HD2  TYR   5           HD2      TYR   5  59.221  -4.192   2.366
   39    HE1  TYR   5           HE1      TYR   5  61.271  -8.704   2.166
   40    HE2  TYR   5           HE2      TYR   5  57.860  -6.142   1.662
   41    HH   TYR   5           HH       TYR   5  58.246  -8.957   2.254
   42    H    TYR   6           HN       TYR   6  60.127  -3.441   6.403
   43    HA   TYR   6           HA       TYR   6  59.883  -0.592   5.684
   44   1HB   TYR   6           HB2      TYR   6  58.160  -2.437   6.592
   45   2HB   TYR   6           HB1      TYR   6  58.673  -1.754   8.133
   46    HD1  TYR   6           HD2      TYR   6  59.297   1.030   6.725
   47    HD2  TYR   6           HD1      TYR   6  55.868  -1.548   6.925
   48    HE1  TYR   6           HE2      TYR   6  57.810   2.979   6.359
   49    HE2  TYR   6           HE1      TYR   6  54.382   0.403   6.564
   50    HH   TYR   6           HH       TYR   6  55.725   3.678   6.111
   51    H    GLU   7           HN       GLU   7  61.351  -2.620   8.126
   52    HA   GLU   7           HA       GLU   7  62.195  -0.323   9.778
   53   1HB   GLU   7           HB2      GLU   7  62.456  -3.332   9.829
   54   2HB   GLU   7           HB1      GLU   7  63.396  -2.331  10.937
   55   1HG   GLU   7           HG2      GLU   7  61.130  -1.204  11.510
   56   2HG   GLU   7           HG1      GLU   7  60.401  -2.620  10.750
   57    H    ILE   8           HN       ILE   8  63.323  -2.325   7.190
   58    HA   ILE   8           HA       ILE   8  66.121  -2.203   7.410
   59    HB   ILE   8           HB       ILE   8  64.048  -2.724   5.452
   60   1HG1  ILE   8          HG12      ILE   8  66.073  -4.130   4.541
   61   2HG1  ILE   8          HG11      ILE   8  66.850  -3.620   6.041
   62   1HG2  ILE   8          HG23      ILE   8  66.425  -1.128   4.523
   63   2HG2  ILE   8          HG22      ILE   8  65.689  -2.333   3.466
   64   3HG2  ILE   8          HG21      ILE   8  64.735  -0.973   4.053
   65   1HD1  ILE   8          HD13      ILE   8  64.317  -4.387   6.871
   66   2HD1  ILE   8          HD12      ILE   8  64.711  -5.575   5.628
   67   3HD1  ILE   8          HD11      ILE   8  65.782  -5.358   7.014
   68    H    LEU   9           HN       LEU   9  63.828   0.276   6.266
   69    HA   LEU   9           HA       LEU   9  66.014   2.116   5.525
   70   1HB   LEU   9           HB2      LEU   9  62.991   2.369   5.686
   71   2HB   LEU   9           HB1      LEU   9  64.051   3.616   5.041
   72    HG   LEU   9           HG       LEU   9  63.615   2.581   3.056
   73   1HD1  LEU   9          HD13      LEU   9  65.629   0.656   4.248
   74   2HD1  LEU   9          HD12      LEU   9  65.215   0.724   2.535
   75   3HD1  LEU   9          HD11      LEU   9  65.978   2.109   3.314
   76   1HD2  LEU   9          HD21      LEU   9  62.650   0.458   4.847
   77   2HD2  LEU   9          HD23      LEU   9  61.974   1.048   3.330
   78   3HD2  LEU   9          HD22      LEU   9  63.278  -0.135   3.310
   79    H    GLY  10           HN       GLY  10  65.471   1.140   8.429
   80   1HA   GLY  10           HA2      GLY  10  65.540   2.089  10.576
   81   2HA   GLY  10           HA1      GLY  10  66.217   3.518   9.790
   82    H    VAL  11           HN       VAL  11  63.045   2.055   9.210
   83    HA   VAL  11           HA       VAL  11  61.777   4.638  10.078
   84    HB   VAL  11           HB       VAL  11  60.575   2.582   8.242
   85   1HG1  VAL  11          HG13      VAL  11  59.818   5.126   9.226
   86   2HG1  VAL  11          HG12      VAL  11  60.138   5.313   7.504
   87   3HG1  VAL  11          HG11      VAL  11  58.965   4.118   8.057
   88   1HG2  VAL  11          HG23      VAL  11  62.848   3.082   7.391
   89   2HG2  VAL  11          HG22      VAL  11  61.588   3.685   6.316
   90   3HG2  VAL  11          HG21      VAL  11  62.450   4.799   7.379
   91    H    SER  12           HN       SER  12  59.567   4.384  10.908
   92    HA   SER  12           HA       SER  12  59.256   1.971  12.609
   93   1HB   SER  12           HB2      SER  12  58.345   4.786  12.536
   94   2HB   SER  12           HB1      SER  12  57.081   3.648  12.996
   95    HG   SER  12           HG       SER  12  59.177   4.535  14.423
   96    H    LYS  13           HN       LYS  13  58.618   0.380  11.081
   97    HA   LYS  13           HA       LYS  13  57.199   0.658   8.763
   98   1HB   LYS  13           HB2      LYS  13  56.772  -1.657   8.909
   99   2HB   LYS  13           HB1      LYS  13  58.206  -1.402   9.904
  100   1HG   LYS  13           HG2      LYS  13  56.129  -0.963  11.691
  101   2HG   LYS  13           HG1      LYS  13  55.526  -2.292  10.700
  102   1HD   LYS  13           HD2      LYS  13  58.212  -2.931  11.181
  103   2HD   LYS  13           HD1      LYS  13  57.614  -2.314  12.722
  104   1HE   LYS  13           HE2      LYS  13  55.998  -3.996  12.924
  105   2HE   LYS  13           HE1      LYS  13  55.953  -4.295  11.174
  106   1HZ   LYS  13           HZ2      LYS  13  58.526  -4.631  12.497
  107   2HZ   LYS  13           HZ1      LYS  13  57.352  -5.811  12.836
  108   3HZ   LYS  13           HZ3      LYS  13  57.832  -5.529  11.233
  109    H    THR  14           HN       THR  14  55.849   1.375  11.850
  110    HA   THR  14           HA       THR  14  53.074   0.997  10.935
  111    HB   THR  14           HB       THR  14  52.682   2.107  13.211
  112    HG1  THR  14           HG1      THR  14  54.355   2.815  14.264
  113   1HG2  THR  14          HG23      THR  14  53.235  -0.471  12.572
  114   2HG2  THR  14          HG22      THR  14  54.524  -0.153  13.732
  115   3HG2  THR  14          HG21      THR  14  52.839   0.060  14.206
  116    H    ALA  15           HN       ALA  15  55.352   3.039   9.951
  117    HA   ALA  15           HA       ALA  15  53.980   5.630  10.285
  118   1HB   ALA  15           HB3      ALA  15  56.594   4.801   9.901
  119   2HB   ALA  15           HB2      ALA  15  56.137   5.380   8.300
  120   3HB   ALA  15           HB1      ALA  15  56.020   6.456   9.691
  121    H    GLU  16           HN       GLU  16  54.694   6.585   7.699
  122    HA   GLU  16           HA       GLU  16  53.186   4.979   5.733
  123   1HB   GLU  16           HB2      GLU  16  52.382   7.717   6.776
  124   2HB   GLU  16           HB1      GLU  16  51.681   6.974   5.333
  125   1HG   GLU  16           HG2      GLU  16  51.218   4.940   6.898
  126   2HG   GLU  16           HG1      GLU  16  51.444   6.103   8.205
  127    H    GLU  17           HN       GLU  17  53.048   8.021   4.621
  128    HA   GLU  17           HA       GLU  17  55.577   7.773   3.113
  129   1HB   GLU  17           HB2      GLU  17  53.564   8.266   1.877
  130   2HB   GLU  17           HB1      GLU  17  53.139   9.572   2.984
  131   1HG   GLU  17           HG2      GLU  17  55.272  10.736   2.292
  132   2HG   GLU  17           HG1      GLU  17  55.466   9.502   1.045
  133    H    ARG  18           HN       ARG  18  54.102   9.723   5.626
  134    HA   ARG  18           HA       ARG  18  55.684  12.041   5.552
  135   1HB   ARG  18           HB2      ARG  18  54.690  12.465   7.603
  136   2HB   ARG  18           HB1      ARG  18  53.643  11.176   7.023
  137   1HG   ARG  18           HG2      ARG  18  56.071  10.668   8.769
  138   2HG   ARG  18           HG1      ARG  18  54.452  10.914   9.416
  139   1HD   ARG  18           HD2      ARG  18  54.403   8.951   7.265
  140   2HD   ARG  18           HD1      ARG  18  55.517   8.467   8.558
  141    HE   ARG  18           HE       ARG  18  52.620   9.062   8.926
  142   1HH1  ARG  18          HH11      ARG  18  55.605   8.860  10.528
  143   2HH1  ARG  18          HH12      ARG  18  55.028   7.851  11.812
  144   1HH2  ARG  18          HH21      ARG  18  51.889   7.405  10.404
  145   2HH2  ARG  18          HH22      ARG  18  52.921   7.028  11.744
  146    H    GLU  19           HN       GLU  19  56.580   8.853   6.886
  147    HA   GLU  19           HA       GLU  19  59.147  10.084   7.774
  148   1HB   GLU  19           HB2      GLU  19  57.417   8.115   8.839
  149   2HB   GLU  19           HB1      GLU  19  58.901   7.282   8.359
  150   1HG   GLU  19           HG2      GLU  19  60.126   8.298   9.955
  151   2HG   GLU  19           HG1      GLU  19  59.403   9.872   9.619
  152    H    ILE  20           HN       ILE  20  57.790   7.579   5.686
  153    HA   ILE  20           HA       ILE  20  60.314   6.578   4.831
  154    HB   ILE  20           HB       ILE  20  57.534   6.207   4.323
  155   1HG1  ILE  20          HG12      ILE  20  58.342   4.039   3.552
  156   2HG1  ILE  20          HG11      ILE  20  59.969   4.694   3.361
  157   1HG2  ILE  20          HG23      ILE  20  59.205   6.627   1.828
  158   2HG2  ILE  20          HG22      ILE  20  57.728   5.665   1.842
  159   3HG2  ILE  20          HG21      ILE  20  57.663   7.384   2.228
  160   1HD1  ILE  20          HD12      ILE  20  58.551   4.840   6.016
  161   2HD1  ILE  20          HD11      ILE  20  59.436   3.390   5.542
  162   3HD1  ILE  20          HD13      ILE  20  60.280   4.930   5.682
  163    H    ARG  21           HN       ARG  21  58.769   9.600   4.334
  164    HA   ARG  21           HA       ARG  21  60.140  10.123   1.781
  165   1HB   ARG  21           HB2      ARG  21  58.852  12.144   1.791
  166   2HB   ARG  21           HB1      ARG  21  57.797  10.921   2.499
  167   1HG   ARG  21           HG2      ARG  21  58.516  11.652   4.764
  168   2HG   ARG  21           HG1      ARG  21  59.488  12.923   4.024
  169   1HD   ARG  21           HD2      ARG  21  57.370  13.772   2.914
  170   2HD   ARG  21           HD1      ARG  21  56.469  12.633   3.935
  171    HE   ARG  21           HE       ARG  21  58.351  14.607   5.163
  172   1HH1  ARG  21          HH11      ARG  21  57.492  13.733   7.441
  173   2HH1  ARG  21          HH12      ARG  21  55.848  14.213   7.700
  174   1HH2  ARG  21          HH21      ARG  21  55.264  14.962   4.364
  175   2HH2  ARG  21          HH22      ARG  21  54.587  14.910   5.958
  176    H    LYS  22           HN       LYS  22  60.469  10.928   5.174
  177    HA   LYS  22           HA       LYS  22  62.830  12.632   4.631
  178   1HB   LYS  22           HB2      LYS  22  60.994  13.281   6.245
  179   2HB   LYS  22           HB1      LYS  22  61.420  11.874   7.220
  180   1HG   LYS  22           HG2      LYS  22  63.861  12.950   7.009
  181   2HG   LYS  22           HG1      LYS  22  62.913  14.425   6.816
  182   1HD   LYS  22           HD2      LYS  22  63.479  13.971   9.200
  183   2HD   LYS  22           HD1      LYS  22  61.738  13.989   8.913
  184   1HE   LYS  22           HE2      LYS  22  61.522  11.799   9.489
  185   2HE   LYS  22           HE1      LYS  22  62.948  11.329   8.541
  186   1HZ   LYS  22           HZ1      LYS  22  63.170  12.876  11.056
  187   2HZ   LYS  22           HZ3      LYS  22  63.166  11.180  11.052
  188   3HZ   LYS  22           HZ2      LYS  22  64.390  12.028  10.232
  189    H    ALA  23           HN       ALA  23  61.778   9.504   5.723
  190    HA   ALA  23           HA       ALA  23  64.303   8.703   6.968
  191   1HB   ALA  23           HB2      ALA  23  61.946   7.137   5.853
  192   2HB   ALA  23           HB1      ALA  23  63.202   6.470   6.896
  193   3HB   ALA  23           HB3      ALA  23  62.106   7.706   7.516
  194    H    TYR  24           HN       TYR  24  62.670   7.828   3.890
  195    HA   TYR  24           HA       TYR  24  64.832   6.378   2.751
  196   1HB   TYR  24           HB2      TYR  24  62.674   6.260   1.744
  197   2HB   TYR  24           HB1      TYR  24  62.547   8.016   1.647
  198    HD1  TYR  24           HD1      TYR  24  65.667   6.242   0.829
  199    HD2  TYR  24           HD2      TYR  24  62.110   8.058  -0.750
  200    HE1  TYR  24           HE1      TYR  24  66.661   6.217  -1.443
  201    HE2  TYR  24           HE2      TYR  24  63.102   8.030  -3.022
  202    HH   TYR  24           HH       TYR  24  66.433   6.906  -3.557
  203    H    LYS  25           HN       LYS  25  63.858   9.776   2.263
  204    HA   LYS  25           HA       LYS  25  66.045  10.605   0.674
  205   1HB   LYS  25           HB2      LYS  25  64.084  11.876   2.555
  206   2HB   LYS  25           HB1      LYS  25  65.397  12.860   1.909
  207   1HG   LYS  25           HG2      LYS  25  64.734  12.282  -0.384
  208   2HG   LYS  25           HG1      LYS  25  63.447  11.247   0.236
  209   1HD   LYS  25           HD2      LYS  25  62.443  13.357  -0.358
  210   2HD   LYS  25           HD1      LYS  25  62.498  13.281   1.403
  211   1HE   LYS  25           HE2      LYS  25  63.287  15.479   0.776
  212   2HE   LYS  25           HE1      LYS  25  64.722  14.550   1.252
  213   1HZ   LYS  25           HZ1      LYS  25  63.732  14.554  -1.535
  214   2HZ   LYS  25           HZ3      LYS  25  64.806  15.746  -0.984
  215   3HZ   LYS  25           HZ2      LYS  25  65.268  14.111  -0.961
  216    H    ARG  26           HN       ARG  26  65.635  11.276   4.201
  217    HA   ARG  26           HA       ARG  26  68.194  12.263   4.737
  218   1HB   ARG  26           HB2      ARG  26  66.377  10.435   6.322
  219   2HB   ARG  26           HB1      ARG  26  67.843  11.122   7.011
  220   1HG   ARG  26           HG2      ARG  26  65.729  12.837   5.694
  221   2HG   ARG  26           HG1      ARG  26  65.702  12.457   7.417
  222   1HD   ARG  26           HD2      ARG  26  68.148  13.313   7.455
  223   2HD   ARG  26           HD1      ARG  26  67.767  14.043   5.883
  224    HE   ARG  26           HE       ARG  26  65.616  14.760   7.470
  225   1HH1  ARG  26          HH11      ARG  26  66.797  15.017   9.941
  226   2HH1  ARG  26          HH12      ARG  26  67.752  16.462   9.897
  227   1HH2  ARG  26          HH21      ARG  26  67.814  16.630   6.434
  228   2HH2  ARG  26          HH22      ARG  26  68.330  17.375   7.910
  229    H    LEU  27           HN       LEU  27  67.312   8.773   4.870
  230    HA   LEU  27           HA       LEU  27  70.071   7.959   5.263
  231   1HB   LEU  27           HB2      LEU  27  67.453   6.856   5.335
  232   2HB   LEU  27           HB1      LEU  27  68.402   5.879   4.211
  233    HG   LEU  27           HG       LEU  27  68.655   5.021   6.506
  234   1HD1  LEU  27          HD13      LEU  27  70.669   5.539   4.713
  235   2HD1  LEU  27          HD12      LEU  27  71.288   6.315   6.170
  236   3HD1  LEU  27          HD11      LEU  27  70.875   4.600   6.192
  237   1HD2  LEU  27          HD23      LEU  27  69.203   7.912   7.011
  238   2HD2  LEU  27          HD22      LEU  27  68.367   6.736   8.025
  239   3HD2  LEU  27          HD21      LEU  27  70.130   6.742   7.952
  240    H    ALA  28           HN       ALA  28  67.963   8.307   2.432
  241    HA   ALA  28           HA       ALA  28  69.771   6.933   0.619
  242   1HB   ALA  28           HB3      ALA  28  67.587   8.980   0.166
  243   2HB   ALA  28           HB2      ALA  28  68.313   7.967  -1.082
  244   3HB   ALA  28           HB1      ALA  28  67.364   7.231   0.210
  245    H    MET  29           HN       MET  29  69.387  10.208   1.827
  246    HA   MET  29           HA       MET  29  70.781  11.766  -0.017
  247   1HB   MET  29           HB2      MET  29  70.907  11.604   2.999
  248   2HB   MET  29           HB1      MET  29  71.586  12.947   2.077
  249   1HG   MET  29           HG2      MET  29  68.951  12.488   1.111
  250   2HG   MET  29           HG1      MET  29  68.871  12.535   2.872
  251   1HE   MET  29           HE2      MET  29  68.530  14.070   4.030
  252   2HE   MET  29           HE1      MET  29  69.881  15.170   4.289
  253   3HE   MET  29           HE3      MET  29  68.351  15.779   3.645
  254    H    LYS  30           HN       LYS  30  72.030   9.686   2.523
  255    HA   LYS  30           HA       LYS  30  74.809  10.000   2.248
  256   1HB   LYS  30           HB2      LYS  30  72.808   8.174   3.307
  257   2HB   LYS  30           HB1      LYS  30  74.233   7.304   2.737
  258   1HG   LYS  30           HG2      LYS  30  75.233   7.864   4.678
  259   2HG   LYS  30           HG1      LYS  30  75.288   9.517   4.065
  260   1HD   LYS  30           HD2      LYS  30  72.650   9.098   5.013
  261   2HD   LYS  30           HD1      LYS  30  73.735   8.468   6.252
  262   1HE   LYS  30           HE2      LYS  30  74.862  10.563   6.479
  263   2HE   LYS  30           HE1      LYS  30  74.137  11.194   4.986
  264   1HZ   LYS  30           HZ3      LYS  30  72.258  10.187   6.950
  265   2HZ   LYS  30           HZ2      LYS  30  73.093  11.590   7.421
  266   3HZ   LYS  30           HZ1      LYS  30  72.177  11.582   5.990
  267    H    TYR  31           HN       TYR  31  72.497   8.600   0.130
  268    HA   TYR  31           HA       TYR  31  74.675   7.384  -1.539
  269   1HB   TYR  31           HB2      TYR  31  71.791   6.496  -1.454
  270   2HB   TYR  31           HB1      TYR  31  73.202   5.582  -1.996
  271    HD1  TYR  31           HD1      TYR  31  75.141   6.027   0.136
  272    HD2  TYR  31           HD2      TYR  31  70.909   5.349   0.399
  273    HE1  TYR  31           HE1      TYR  31  75.438   5.082   2.408
  274    HE2  TYR  31           HE2      TYR  31  71.203   4.404   2.675
  275    HH   TYR  31           HH       TYR  31  72.733   3.625   4.158
  276    H    HIS  32           HN       HIS  32  71.808   9.405  -1.477
  277    HA   HIS  32           HA       HIS  32  70.622   9.651  -3.828
  278   1HB   HIS  32           HB2      HIS  32  71.588  11.452  -1.846
  279   2HB   HIS  32           HB1      HIS  32  71.828  12.219  -3.421
  280    HD1  HIS  32           HD1      HIS  32  69.860  13.666  -3.892
  281    HD2  HIS  32           HD2      HIS  32  68.721  10.082  -2.090
  282    HE1  HIS  32           HE1      HIS  32  67.329  13.693  -3.777
  283    HA   PRO  33           HA       PRO  33  74.309   9.205  -6.525
  284   1HB   PRO  33           HB2      PRO  33  72.850   8.084  -8.562
  285   2HB   PRO  33           HB1      PRO  33  73.504   7.150  -7.200
  286   1HG   PRO  33           HG2      PRO  33  70.755   8.265  -7.574
  287   2HG   PRO  33           HG1      PRO  33  71.248   6.646  -7.034
  288   1HD   PRO  33           HD2      PRO  33  70.490   8.490  -5.277
  289   2HD   PRO  33           HD1      PRO  33  71.840   7.392  -4.916
  290    H    ASP  34           HN       ASP  34  71.140  10.685  -7.045
  291    HA   ASP  34           HA       ASP  34  71.273  11.930  -9.503
  292   1HB   ASP  34           HB2      ASP  34  69.480  12.321  -7.915
  293   2HB   ASP  34           HB1      ASP  34  70.593  13.075  -6.773
  294    H    ARG  35           HN       ARG  35  73.076  12.776  -6.591
  295    HA   ARG  35           HA       ARG  35  74.789  14.669  -8.127
  296   1HB   ARG  35           HB2      ARG  35  75.100  15.685  -5.988
  297   2HB   ARG  35           HB1      ARG  35  73.389  15.285  -6.039
  298   1HG   ARG  35           HG2      ARG  35  73.944  13.128  -4.849
  299   2HG   ARG  35           HG1      ARG  35  75.596  13.714  -4.661
  300   1HD   ARG  35           HD2      ARG  35  73.907  15.828  -3.790
  301   2HD   ARG  35           HD1      ARG  35  73.293  14.340  -3.042
  302    HE   ARG  35           HE       ARG  35  76.168  14.377  -2.933
  303   1HH1  ARG  35          HH11      ARG  35  74.096  16.798  -1.923
  304   2HH1  ARG  35          HH12      ARG  35  74.496  16.691  -0.241
  305   1HH2  ARG  35          HH21      ARG  35  76.366  13.794  -0.598
  306   2HH2  ARG  35          HH22      ARG  35  75.780  14.990   0.509
  307    H    ASN  36           HN       ASN  36  74.582  11.704  -6.340
  308    HA   ASN  36           HA       ASN  36  77.523  11.429  -6.068
  309   1HB   ASN  36           HB2      ASN  36  75.048  10.071  -4.993
  310   2HB   ASN  36           HB1      ASN  36  76.647   9.365  -4.780
  311   1HD2  ASN  36          HD22      ASN  36  77.736  11.767  -2.413
  312   2HD2  ASN  36          HD21      ASN  36  78.219  10.524  -3.463
  313    H    GLN  37           HN       GLN  37  77.014  11.220  -8.766
  314    HA   GLN  37           HA       GLN  37  76.593   8.330  -9.337
  315   1HB   GLN  37           HB2      GLN  37  76.778  10.837 -11.000
  316   2HB   GLN  37           HB1      GLN  37  76.822   9.236 -11.737
  317   1HG   GLN  37           HG2      GLN  37  74.605   8.932 -11.453
  318   2HG   GLN  37           HG1      GLN  37  74.666   9.494  -9.783
  319   1HE2  GLN  37          HE22      GLN  37  74.480  13.024 -11.086
  320   2HE2  GLN  37          HE21      GLN  37  75.665  12.148 -10.245
  321    H    GLY  38           HN       GLY  38  79.130  10.283  -8.450
  322   1HA   GLY  38           HA2      GLY  38  81.194   9.503 -10.288
  323   2HA   GLY  38           HA1      GLY  38  81.466   9.999  -8.610
  324    H    ASP  39           HN       ASP  39  79.373   7.849  -7.933
  325    HA   ASP  39           HA       ASP  39  81.111   5.431  -8.190
  326   1HB   ASP  39           HB2      ASP  39  80.486   7.018  -5.895
  327   2HB   ASP  39           HB1      ASP  39  79.633   5.483  -5.721
  328    H    LYS  40           HN       LYS  40  77.879   6.795  -7.604
  329    HA   LYS  40           HA       LYS  40  75.738   6.001  -8.170
  330   1HB   LYS  40           HB2      LYS  40  77.357   4.085  -9.748
  331   2HB   LYS  40           HB1      LYS  40  75.710   4.571 -10.106
  332   1HG   LYS  40           HG2      LYS  40  76.483   6.865 -10.449
  333   2HG   LYS  40           HG1      LYS  40  78.125   6.382 -10.030
  334   1HD   LYS  40           HD2      LYS  40  77.289   4.592 -12.042
  335   2HD   LYS  40           HD1      LYS  40  76.791   6.195 -12.586
  336   1HE   LYS  40           HE2      LYS  40  79.004   7.033 -12.539
  337   2HE   LYS  40           HE1      LYS  40  79.571   5.718 -11.490
  338   1HZ   LYS  40           HZ1      LYS  40  78.311   4.860 -13.952
  339   2HZ   LYS  40           HZ3      LYS  40  79.774   5.690 -14.171
  340   3HZ   LYS  40           HZ2      LYS  40  79.727   4.295 -13.204
  341    H    GLU  41           HN       GLU  41  77.842   4.401  -6.328
  342    HA   GLU  41           HA       GLU  41  77.028   1.730  -6.045
  343   1HB   GLU  41           HB2      GLU  41  78.867   3.082  -4.875
  344   2HB   GLU  41           HB1      GLU  41  77.612   3.631  -3.762
  345   1HG   GLU  41           HG2      GLU  41  78.424   1.755  -2.642
  346   2HG   GLU  41           HG1      GLU  41  77.081   1.061  -3.552
  347    H    ALA  42           HN       ALA  42  75.235   4.624  -5.394
  348    HA   ALA  42           HA       ALA  42  73.368   3.518  -3.457
  349   1HB   ALA  42           HB1      ALA  42  74.019   5.980  -4.070
  350   2HB   ALA  42           HB3      ALA  42  72.842   5.795  -5.369
  351   3HB   ALA  42           HB2      ALA  42  72.332   5.634  -3.689
  352    H    GLU  43           HN       GLU  43  73.675   3.636  -6.932
  353    HA   GLU  43           HA       GLU  43  71.151   3.171  -7.945
  354   1HB   GLU  43           HB2      GLU  43  73.309   3.262  -9.172
  355   2HB   GLU  43           HB1      GLU  43  73.716   1.663  -8.548
  356   1HG   GLU  43           HG2      GLU  43  71.927   0.628  -9.748
  357   2HG   GLU  43           HG1      GLU  43  71.186   2.184 -10.125
  358    H    ALA  44           HN       ALA  44  73.237   0.851  -6.231
  359    HA   ALA  44           HA       ALA  44  71.262  -1.328  -6.445
  360   1HB   ALA  44           HB2      ALA  44  74.032  -1.007  -5.956
  361   2HB   ALA  44           HB1      ALA  44  73.360  -1.660  -4.462
  362   3HB   ALA  44           HB3      ALA  44  73.134  -2.525  -5.982
  363    H    LYS  45           HN       LYS  45  72.700   0.557  -3.717
  364    HA   LYS  45           HA       LYS  45  70.986  -0.392  -1.694
  365   1HB   LYS  45           HB2      LYS  45  72.862   1.710  -2.100
  366   2HB   LYS  45           HB1      LYS  45  71.416   2.429  -1.376
  367   1HG   LYS  45           HG2      LYS  45  72.111   1.616   0.605
  368   2HG   LYS  45           HG1      LYS  45  71.770   0.001  -0.024
  369   1HD   LYS  45           HD2      LYS  45  74.234   0.783  -1.161
  370   2HD   LYS  45           HD1      LYS  45  74.326   1.204   0.550
  371   1HE   LYS  45           HE2      LYS  45  73.229  -1.227   0.825
  372   2HE   LYS  45           HE1      LYS  45  74.061  -1.489  -0.721
  373   1HZ   LYS  45           HZ2      LYS  45  75.924  -0.141   0.578
  374   2HZ   LYS  45           HZ1      LYS  45  75.179  -0.892   1.907
  375   3HZ   LYS  45           HZ3      LYS  45  75.816  -1.834   0.648
  376    H    PHE  46           HN       PHE  46  70.325   1.699  -4.395
  377    HA   PHE  46           HA       PHE  46  67.921   2.946  -3.436
  378   1HB   PHE  46           HB2      PHE  46  68.875   3.769  -5.453
  379   2HB   PHE  46           HB1      PHE  46  69.099   2.151  -6.109
  380    HD1  PHE  46           HD2      PHE  46  66.910   0.768  -6.544
  381    HD2  PHE  46           HD1      PHE  46  67.034   5.040  -6.113
  382    HE1  PHE  46           HE2      PHE  46  64.736   0.949  -7.725
  383    HE2  PHE  46           HE1      PHE  46  64.862   5.222  -7.300
  384    HZ   PHE  46           HZ       PHE  46  63.714   3.177  -8.106
  385    H    LYS  47           HN       LYS  47  68.725  -0.240  -4.640
  386    HA   LYS  47           HA       LYS  47  66.013  -1.138  -4.904
  387   1HB   LYS  47           HB2      LYS  47  67.065  -3.116  -5.653
  388   2HB   LYS  47           HB1      LYS  47  68.298  -1.916  -6.008
  389   1HG   LYS  47           HG2      LYS  47  69.745  -2.921  -4.627
  390   2HG   LYS  47           HG1      LYS  47  68.592  -2.904  -3.295
  391   1HD   LYS  47           HD2      LYS  47  68.240  -4.831  -5.562
  392   2HD   LYS  47           HD1      LYS  47  69.375  -5.198  -4.262
  393   1HE   LYS  47           HE2      LYS  47  67.293  -4.481  -2.742
  394   2HE   LYS  47           HE1      LYS  47  66.395  -5.014  -4.179
  395   1HZ   LYS  47           HZ3      LYS  47  68.638  -6.639  -3.192
  396   2HZ   LYS  47           HZ2      LYS  47  67.134  -6.755  -2.410
  397   3HZ   LYS  47           HZ1      LYS  47  67.266  -7.123  -4.064
  398    H    GLU  48           HN       GLU  48  68.042  -0.402  -2.324
  399    HA   GLU  48           HA       GLU  48  66.894  -2.442  -0.566
  400   1HB   GLU  48           HB2      GLU  48  68.929  -0.232  -0.174
  401   2HB   GLU  48           HB1      GLU  48  68.406  -1.301   1.126
  402   1HG   GLU  48           HG2      GLU  48  69.162  -2.748  -1.309
  403   2HG   GLU  48           HG1      GLU  48  70.492  -1.820  -0.613
  404    H    ILE  49           HN       ILE  49  66.677   0.983  -1.296
  405    HA   ILE  49           HA       ILE  49  64.548   1.218   0.788
  406    HB   ILE  49           HB       ILE  49  66.066   3.314  -0.784
  407   1HG1  ILE  49          HG12      ILE  49  66.810   3.530   1.858
  408   2HG1  ILE  49          HG11      ILE  49  66.708   1.779   1.632
  409   1HG2  ILE  49          HG21      ILE  49  63.866   3.340   1.200
  410   2HG2  ILE  49          HG23      ILE  49  65.129   4.550   1.418
  411   3HG2  ILE  49          HG22      ILE  49  64.230   4.476  -0.097
  412   1HD1  ILE  49          HD13      ILE  49  67.894   2.724  -0.708
  413   2HD1  ILE  49          HD12      ILE  49  68.663   3.646   0.584
  414   3HD1  ILE  49          HD11      ILE  49  68.705   1.883   0.612
  415    H    LYS  50           HN       LYS  50  65.309   2.263  -2.576
  416    HA   LYS  50           HA       LYS  50  62.568   3.015  -2.998
  417   1HB   LYS  50           HB2      LYS  50  65.052   3.310  -4.261
  418   2HB   LYS  50           HB1      LYS  50  64.075   2.401  -5.417
  419   1HG   LYS  50           HG2      LYS  50  62.875   4.780  -4.032
  420   2HG   LYS  50           HG1      LYS  50  63.958   5.033  -5.400
  421   1HD   LYS  50           HD2      LYS  50  62.361   3.050  -6.377
  422   2HD   LYS  50           HD1      LYS  50  61.222   3.914  -5.343
  423   1HE   LYS  50           HE2      LYS  50  61.442   5.919  -6.557
  424   2HE   LYS  50           HE1      LYS  50  63.001   5.435  -7.252
  425   1HZ   LYS  50           HZ3      LYS  50  61.878   3.642  -8.429
  426   2HZ   LYS  50           HZ2      LYS  50  60.383   4.131  -7.786
  427   3HZ   LYS  50           HZ1      LYS  50  61.219   5.144  -8.862
  428    H    GLU  51           HN       GLU  51  64.310  -0.041  -3.300
  429    HA   GLU  51           HA       GLU  51  62.083  -1.199  -4.909
  430   1HB   GLU  51           HB2      GLU  51  64.179  -1.987  -5.581
  431   2HB   GLU  51           HB1      GLU  51  64.794  -1.923  -3.954
  432   1HG   GLU  51           HG2      GLU  51  64.597  -4.226  -4.409
  433   2HG   GLU  51           HG1      GLU  51  63.200  -3.843  -3.406
  434    H    ALA  52           HN       ALA  52  63.411  -1.087  -1.670
  435    HA   ALA  52           HA       ALA  52  61.527  -3.081  -0.569
  436   1HB   ALA  52           HB2      ALA  52  64.049  -2.407   0.027
  437   2HB   ALA  52           HB1      ALA  52  63.233  -1.236   1.062
  438   3HB   ALA  52           HB3      ALA  52  62.938  -2.961   1.281
  439    H    TYR  53           HN       TYR  53  62.276   0.376  -0.098
  440    HA   TYR  53           HA       TYR  53  59.889   0.907   1.449
  441   1HB   TYR  53           HB2      TYR  53  61.172   2.664   1.987
  442   2HB   TYR  53           HB1      TYR  53  62.381   2.076   0.875
  443    HD1  TYR  53           HD1      TYR  53  61.189   2.619  -1.777
  444    HD2  TYR  53           HD2      TYR  53  61.103   4.948   1.828
  445    HE1  TYR  53           HE1      TYR  53  60.991   4.685  -3.118
  446    HE2  TYR  53           HE2      TYR  53  60.885   7.014   0.489
  447    HH   TYR  53           HH       TYR  53  60.872   6.901  -3.079
  448    H    GLU  54           HN       GLU  54  60.180   0.186  -1.737
  449    HA   GLU  54           HA       GLU  54  58.555   2.192  -3.015
  450   1HB   GLU  54           HB2      GLU  54  59.524   0.946  -4.653
  451   2HB   GLU  54           HB1      GLU  54  59.804  -0.402  -3.557
  452   1HG   GLU  54           HG2      GLU  54  57.793  -1.432  -4.095
  453   2HG   GLU  54           HG1      GLU  54  57.011   0.087  -4.533
  454    H    VAL  55           HN       VAL  55  57.870  -0.648  -1.058
  455    HA   VAL  55           HA       VAL  55  54.973  -0.387  -1.656
  456    HB   VAL  55           HB       VAL  55  54.999  -2.641  -1.444
  457   1HG1  VAL  55          HG11      VAL  55  57.356  -2.452  -2.198
  458   2HG1  VAL  55          HG13      VAL  55  57.852  -2.504  -0.505
  459   3HG1  VAL  55          HG12      VAL  55  57.031  -3.889  -1.227
  460   1HG2  VAL  55          HG21      VAL  55  56.119  -2.160   1.316
  461   2HG2  VAL  55          HG23      VAL  55  54.421  -2.366   0.888
  462   3HG2  VAL  55          HG22      VAL  55  55.540  -3.720   0.732
  463    H    LEU  56           HN       LEU  56  57.312   0.417   0.661
  464    HA   LEU  56           HA       LEU  56  55.791   0.559   3.060
  465   1HB   LEU  56           HB2      LEU  56  58.089   2.055   1.818
  466   2HB   LEU  56           HB1      LEU  56  57.607   2.319   3.502
  467    HG   LEU  56           HG       LEU  56  58.645  -0.219   2.220
  468   1HD1  LEU  56          HD12      LEU  56  60.180   1.576   3.211
  469   2HD1  LEU  56          HD11      LEU  56  59.497   1.147   4.776
  470   3HD1  LEU  56          HD13      LEU  56  60.381  -0.058   3.844
  471   1HD2  LEU  56          HD21      LEU  56  56.995   0.168   4.695
  472   2HD2  LEU  56          HD23      LEU  56  56.923  -1.127   3.502
  473   3HD2  LEU  56          HD22      LEU  56  58.238  -1.084   4.676
  474    H    THR  57           HN       THR  57  55.516   2.326   0.139
  475    HA   THR  57           HA       THR  57  54.206   4.655   1.472
  476    HB   THR  57           HB       THR  57  55.141   5.788  -0.263
  477    HG1  THR  57           HG1      THR  57  54.238   5.544  -2.259
  478   1HG2  THR  57          HG21      THR  57  56.817   3.890  -0.294
  479   2HG2  THR  57          HG23      THR  57  55.869   3.165  -1.592
  480   3HG2  THR  57          HG22      THR  57  56.637   4.734  -1.833
  481    H    ASP  58           HN       ASP  58  53.583   1.746  -0.271
  482    HA   ASP  58           HA       ASP  58  50.704   2.494  -0.633
  483   1HB   ASP  58           HB2      ASP  58  52.199   1.888  -2.604
  484   2HB   ASP  58           HB1      ASP  58  52.309   0.261  -1.919
  485    H    SER  59           HN       SER  59  49.226   0.503  -0.369
  486    HA   SER  59           HA       SER  59  50.097  -1.036   2.048
  487   1HB   SER  59           HB2      SER  59  48.099   0.455   2.172
  488   2HB   SER  59           HB1      SER  59  47.348  -0.478   0.880
  489    HG   SER  59           HG       SER  59  46.798  -1.896   2.321
  490    H    GLN  60           HN       GLN  60  48.260  -1.411  -0.993
  491    HA   GLN  60           HA       GLN  60  47.833  -4.167  -1.059
  492   1HB   GLN  60           HB2      GLN  60  47.996  -3.822  -3.540
  493   2HB   GLN  60           HB1      GLN  60  47.059  -2.561  -2.733
  494   1HG   GLN  60           HG2      GLN  60  49.402  -1.360  -2.542
  495   2HG   GLN  60           HG1      GLN  60  49.826  -2.410  -3.896
  496   1HE2  GLN  60          HE22      GLN  60  47.064   0.578  -4.435
  497   2HE2  GLN  60          HE21      GLN  60  47.487   0.093  -2.865
  498    H    LYS  61           HN       LYS  61  50.805  -2.411  -1.960
  499    HA   LYS  61           HA       LYS  61  52.260  -4.741  -2.807
  500   1HB   LYS  61           HB2      LYS  61  53.282  -2.065  -1.814
  501   2HB   LYS  61           HB1      LYS  61  54.081  -3.160  -2.942
  502   1HG   LYS  61           HG2      LYS  61  52.170  -2.821  -4.532
  503   2HG   LYS  61           HG1      LYS  61  51.526  -1.603  -3.429
  504   1HD   LYS  61           HD2      LYS  61  52.834  -0.104  -4.500
  505   2HD   LYS  61           HD1      LYS  61  54.209  -0.891  -3.724
  506   1HE   LYS  61           HE2      LYS  61  54.533  -2.362  -5.621
  507   2HE   LYS  61           HE1      LYS  61  53.027  -1.802  -6.371
  508   1HZ   LYS  61           HZ2      LYS  61  54.588   0.432  -5.671
  509   2HZ   LYS  61           HZ1      LYS  61  55.561  -0.637  -6.563
  510   3HZ   LYS  61           HZ3      LYS  61  54.104  -0.070  -7.220
  511    H    ARG  62           HN       ARG  62  51.751  -3.076   0.267
  512    HA   ARG  62           HA       ARG  62  53.900  -4.274   1.742
  513   1HB   ARG  62           HB2      ARG  62  51.095  -3.464   2.608
  514   2HB   ARG  62           HB1      ARG  62  52.478  -3.670   3.683
  515   1HG   ARG  62           HG2      ARG  62  52.683  -1.793   1.349
  516   2HG   ARG  62           HG1      ARG  62  51.865  -1.268   2.820
  517   1HD   ARG  62           HD2      ARG  62  54.635  -2.499   2.872
  518   2HD   ARG  62           HD1      ARG  62  54.368  -0.750   2.724
  519    HE   ARG  62           HE       ARG  62  54.134  -2.177   5.162
  520   1HH1  ARG  62          HH11      ARG  62  51.484  -2.165   5.563
  521   2HH1  ARG  62          HH12      ARG  62  50.975  -0.530   5.832
  522   1HH2  ARG  62          HH21      ARG  62  53.842   0.869   4.476
  523   2HH2  ARG  62          HH22      ARG  62  52.307   1.185   5.216
  524    H    ALA  63           HN       ALA  63  50.757  -5.357   0.683
  525    HA   ALA  63           HA       ALA  63  50.925  -7.902   2.198
  526   1HB   ALA  63           HB2      ALA  63  48.925  -6.229   0.864
  527   2HB   ALA  63           HB1      ALA  63  48.757  -7.928   0.424
  528   3HB   ALA  63           HB3      ALA  63  48.693  -7.446   2.119
  529    H    ALA  64           HN       ALA  64  51.385  -6.529  -0.978
  530    HA   ALA  64           HA       ALA  64  51.547  -9.075  -2.422
  531   1HB   ALA  64           HB1      ALA  64  51.225  -6.358  -2.994
  532   2HB   ALA  64           HB3      ALA  64  52.857  -6.705  -3.563
  533   3HB   ALA  64           HB2      ALA  64  51.489  -7.623  -4.192
  534    H    TYR  65           HN       TYR  65  53.879  -6.494  -1.676
  535    HA   TYR  65           HA       TYR  65  56.214  -8.037  -2.307
  536   1HB   TYR  65           HB2      TYR  65  55.515  -5.430  -1.648
  537   2HB   TYR  65           HB1      TYR  65  56.488  -5.942  -0.277
  538    HD1  TYR  65           HD2      TYR  65  56.459  -5.605  -3.971
  539    HD2  TYR  65           HD1      TYR  65  58.842  -6.364  -0.478
  540    HE1  TYR  65           HE2      TYR  65  58.519  -5.416  -5.336
  541    HE2  TYR  65           HE1      TYR  65  60.903  -6.181  -1.847
  542    HH   TYR  65           HH       TYR  65  60.730  -5.679  -5.365
  543    H    ASP  66           HN       ASP  66  54.153  -7.789   0.486
  544    HA   ASP  66           HA       ASP  66  55.799  -8.505   2.582
  545   1HB   ASP  66           HB2      ASP  66  53.725  -8.550   3.510
  546   2HB   ASP  66           HB1      ASP  66  53.020  -8.557   1.897
  547    H    GLN  67           HN       GLN  67  54.360 -10.645   0.120
  548    HA   GLN  67           HA       GLN  67  56.490 -12.386  -0.290
  549   1HB   GLN  67           HB2      GLN  67  55.259 -12.671   2.349
  550   2HB   GLN  67           HB1      GLN  67  55.276 -14.191   1.453
  551   1HG   GLN  67           HG2      GLN  67  57.792 -12.897   1.043
  552   2HG   GLN  67           HG1      GLN  67  57.459 -12.907   2.776
  553   1HE2  GLN  67          HE22      GLN  67  56.953 -16.652   2.473
  554   2HE2  GLN  67          HE21      GLN  67  55.884 -15.372   2.790
  555    H    TYR  68           HN       TYR  68  54.735 -11.787  -2.093
  556    HA   TYR  68           HA       TYR  68  52.469 -13.704  -2.127
  557   1HB   TYR  68           HB2      TYR  68  53.184 -11.133  -3.265
  558   2HB   TYR  68           HB1      TYR  68  52.636 -12.238  -4.530
  559    HD1  TYR  68           HD1      TYR  68  51.646 -11.999  -0.926
  560    HD2  TYR  68           HD2      TYR  68  50.418 -11.620  -5.026
  561    HE1  TYR  68           HE1      TYR  68  49.301 -11.673  -0.193
  562    HE2  TYR  68           HE2      TYR  68  48.072 -11.293  -4.292
  563    HH   TYR  68           HH       TYR  68  47.103 -11.770  -0.970
  564    H    GLY  69           HN       GLY  69  53.101 -15.756  -2.752
  565   1HA   GLY  69           HA2      GLY  69  55.177 -16.049  -4.854
  566   2HA   GLY  69           HA1      GLY  69  54.541 -17.354  -3.849
  567    H    HIS  70           HN       HIS  70  52.561 -14.981  -5.551
  568    HA   HIS  70           HA       HIS  70  51.775 -17.035  -7.571
  569   1HB   HIS  70           HB2      HIS  70  50.388 -16.979  -5.363
  570   2HB   HIS  70           HB1      HIS  70  49.733 -15.470  -6.009
  571    HD1  HIS  70           HD1      HIS  70  49.342 -19.097  -6.200
  572    HD2  HIS  70           HD2      HIS  70  48.516 -15.870  -8.706
  573    HE1  HIS  70           HE1      HIS  70  47.737 -19.952  -7.962
  574    H    ALA  71           HN       ALA  71  52.288 -15.831  -9.404
  575    HA   ALA  71           HA       ALA  71  52.338 -13.961 -10.881
  576   1HB   ALA  71           HB1      ALA  71  49.597 -13.898  -9.576
  577   2HB   ALA  71           HB3      ALA  71  50.009 -12.992 -11.032
  578   3HB   ALA  71           HB2      ALA  71  50.043 -14.756 -11.053
  579    H    ALA  72           HN       ALA  72  53.162 -13.529  -7.966
  580    HA   ALA  72           HA       ALA  72  52.281 -11.134  -6.849
  581   1HB   ALA  72           HB1      ALA  72  54.320 -12.964  -6.491
  582   2HB   ALA  72           HB3      ALA  72  55.202 -11.483  -6.864
  583   3HB   ALA  72           HB2      ALA  72  54.076 -11.521  -5.507
  584    H    PHE  73           HN       PHE  73  55.111 -11.419  -9.039
  585    HA   PHE  73           HA       PHE  73  54.469  -8.683 -10.091
  586   1HB   PHE  73           HB2      PHE  73  56.666  -9.584  -8.487
  587   2HB   PHE  73           HB1      PHE  73  57.288  -9.177 -10.085
  588    HD1  PHE  73           HD2      PHE  73  56.989  -6.900 -11.014
  589    HD2  PHE  73           HD1      PHE  73  55.736  -7.894  -7.027
  590    HE1  PHE  73           HE2      PHE  73  56.825  -4.487 -10.463
  591    HE2  PHE  73           HE1      PHE  73  55.572  -5.482  -6.477
  592    HZ   PHE  73           HZ       PHE  73  56.116  -3.779  -8.194
  593    H    GLU  74           HN       GLU  74  53.536  -9.853 -11.955
  594    HA   GLU  74           HA       GLU  74  55.404 -11.495 -13.574
  595   1HB   GLU  74           HB2      GLU  74  52.485 -10.985 -13.350
  596   2HB   GLU  74           HB1      GLU  74  53.078 -11.386 -14.962
  597   1HG   GLU  74           HG2      GLU  74  53.930 -13.477 -14.257
  598   2HG   GLU  74           HG1      GLU  74  53.861 -13.025 -12.552
  599    H    GLN  75           HN       GLN  75  56.814  -9.596 -14.102
  600    HA   GLN  75           HA       GLN  75  57.534  -7.926 -15.606
  601   1HB   GLN  75           HB2      GLN  75  55.138  -9.035 -17.106
  602   2HB   GLN  75           HB1      GLN  75  56.426  -8.066 -17.821
  603   1HG   GLN  75           HG2      GLN  75  57.409 -10.365 -16.281
  604   2HG   GLN  75           HG1      GLN  75  56.422 -10.819 -17.671
  605   1HE2  GLN  75          HE22      GLN  75  60.141  -9.320 -18.262
  606   2HE2  GLN  75          HE21      GLN  75  59.518  -9.551 -16.700
  607    H    GLY  76           HN       GLY  76  54.069  -7.712 -16.366
  608   1HA   GLY  76           HA2      GLY  76  54.107  -4.930 -15.264
  609   2HA   GLY  76           HA1      GLY  76  53.148  -5.410 -16.665
  610    H    GLY  77           HN       GLY  77  53.582  -6.982 -13.490
  611   1HA   GLY  77           HA2      GLY  77  50.704  -6.505 -12.922
  612   2HA   GLY  77           HA1      GLY  77  51.287  -8.171 -12.938
   
  No H/Q in entry =         612
  Start of MODEL    5
    1   1H    ALA   1           HT3      ALA   1  68.218 -14.484   9.057
    2   2H    ALA   1           HT2      ALA   1  68.802 -15.268   7.666
    3   3H    ALA   1           HT1      ALA   1  69.855 -14.348   8.633
    4    HA   ALA   1           HA       ALA   1  69.020 -12.332   7.891
    5   1HB   ALA   1           HB1      ALA   1  69.841 -14.348   6.144
    6   2HB   ALA   1           HB3      ALA   1  68.421 -13.660   5.356
    7   3HB   ALA   1           HB2      ALA   1  69.784 -12.624   5.776
    8    H    LYS   2           HN       LYS   2  66.824 -12.979   9.292
    9    HA   LYS   2           HA       LYS   2  64.528 -12.935   7.363
   10   1HB   LYS   2           HB2      LYS   2  65.135 -14.252   9.895
   11   2HB   LYS   2           HB1      LYS   2  63.600 -13.386   9.966
   12   1HG   LYS   2           HG2      LYS   2  63.025 -15.528   9.135
   13   2HG   LYS   2           HG1      LYS   2  63.073 -14.502   7.700
   14   1HD   LYS   2           HD2      LYS   2  64.357 -16.295   6.974
   15   2HD   LYS   2           HD1      LYS   2  65.613 -15.253   7.644
   16   1HE   LYS   2           HE2      LYS   2  65.975 -16.631   9.461
   17   2HE   LYS   2           HE1      LYS   2  64.283 -17.162   9.524
   18   1HZ   LYS   2           HZ3      LYS   2  64.890 -18.101   7.166
   19   2HZ   LYS   2           HZ2      LYS   2  66.464 -18.109   7.807
   20   3HZ   LYS   2           HZ1      LYS   2  65.228 -18.992   8.568
   21    H    GLN   3           HN       GLN   3  64.971 -10.548   7.106
   22    HA   GLN   3           HA       GLN   3  63.744  -9.004   9.368
   23   1HB   GLN   3           HB2      GLN   3  66.046  -8.110   7.606
   24   2HB   GLN   3           HB1      GLN   3  65.445  -7.313   9.061
   25   1HG   GLN   3           HG2      GLN   3  66.702 -10.072   8.965
   26   2HG   GLN   3           HG1      GLN   3  67.496  -8.606   9.542
   27   1HE2  GLN   3          HE22      GLN   3  65.601 -10.633  12.272
   28   2HE2  GLN   3          HE21      GLN   3  66.439 -11.233  10.924
   29    H    ASP   4           HN       ASP   4  61.941  -8.044   8.654
   30    HA   ASP   4           HA       ASP   4  60.991  -7.955   6.004
   31   1HB   ASP   4           HB2      ASP   4  59.961  -7.523   8.382
   32   2HB   ASP   4           HB1      ASP   4  60.372  -5.841   8.049
   33    H    TYR   5           HN       TYR   5  60.306  -5.327   5.414
   34    HA   TYR   5           HA       TYR   5  62.948  -3.947   5.082
   35   1HB   TYR   5           HB2      TYR   5  61.212  -3.378   2.872
   36   2HB   TYR   5           HB1      TYR   5  62.768  -4.207   2.852
   37    HD1  TYR   5           HD1      TYR   5  62.785  -6.725   3.422
   38    HD2  TYR   5           HD2      TYR   5  59.219  -4.549   2.417
   39    HE1  TYR   5           HE1      TYR   5  61.638  -8.854   2.880
   40    HE2  TYR   5           HE2      TYR   5  58.073  -6.680   1.875
   41    HH   TYR   5           HH       TYR   5  58.623  -9.348   2.807
   42    H    TYR   6           HN       TYR   6  60.094  -3.683   6.591
   43    HA   TYR   6           HA       TYR   6  59.295  -0.983   5.811
   44   1HB   TYR   6           HB2      TYR   6  57.449  -1.638   6.944
   45   2HB   TYR   6           HB1      TYR   6  58.237  -3.188   7.196
   46    HD1  TYR   6           HD2      TYR   6  58.608   0.278   8.646
   47    HD2  TYR   6           HD1      TYR   6  58.117  -3.925   9.375
   48    HE1  TYR   6           HE2      TYR   6  58.653   0.688  11.081
   49    HE2  TYR   6           HE1      TYR   6  58.147  -3.502  11.816
   50    HH   TYR   6           HH       TYR   6  58.058  -1.918  13.406
   51    H    GLU   7           HN       GLU   7  61.110  -2.508   8.445
   52    HA   GLU   7           HA       GLU   7  61.690   0.050   9.716
   53   1HB   GLU   7           HB2      GLU   7  61.981  -2.808  10.198
   54   2HB   GLU   7           HB1      GLU   7  63.446  -1.934  10.650
   55   1HG   GLU   7           HG2      GLU   7  60.844  -0.739  11.476
   56   2HG   GLU   7           HG1      GLU   7  61.373  -2.186  12.333
   57    H    ILE   8           HN       ILE   8  63.283  -2.134   7.430
   58    HA   ILE   8           HA       ILE   8  65.941  -1.281   7.540
   59    HB   ILE   8           HB       ILE   8  64.113  -2.561   5.698
   60   1HG1  ILE   8          HG12      ILE   8  66.558  -3.358   4.912
   61   2HG1  ILE   8          HG11      ILE   8  66.987  -2.635   6.464
   62   1HG2  ILE   8          HG22      ILE   8  65.995  -0.524   4.518
   63   2HG2  ILE   8          HG21      ILE   8  65.599  -1.998   3.635
   64   3HG2  ILE   8          HG23      ILE   8  64.322  -0.865   4.079
   65   1HD1  ILE   8          HD13      ILE   8  64.851  -4.011   7.277
   66   2HD1  ILE   8          HD12      ILE   8  65.273  -5.012   5.887
   67   3HD1  ILE   8          HD11      ILE   8  66.445  -4.762   7.181
   68    H    LEU   9           HN       LEU   9  63.101   0.448   6.391
   69    HA   LEU   9           HA       LEU   9  64.788   2.670   5.345
   70   1HB   LEU   9           HB2      LEU   9  61.770   2.500   5.437
   71   2HB   LEU   9           HB1      LEU   9  62.776   3.383   4.293
   72    HG   LEU   9           HG       LEU   9  62.965   0.379   4.461
   73   1HD1  LEU   9          HD13      LEU   9  60.791   2.050   3.251
   74   2HD1  LEU   9          HD12      LEU   9  61.312   0.588   2.413
   75   3HD1  LEU   9          HD11      LEU   9  60.680   0.484   4.056
   76   1HD2  LEU   9          HD21      LEU   9  63.831   2.574   2.675
   77   2HD2  LEU   9          HD23      LEU   9  64.568   0.996   2.957
   78   3HD2  LEU   9          HD22      LEU   9  63.200   1.148   1.854
   79    H    GLY  10           HN       GLY  10  64.362   1.929   8.328
   80   1HA   GLY  10           HA2      GLY  10  63.853   3.059  10.339
   81   2HA   GLY  10           HA1      GLY  10  64.388   4.495   9.457
   82    H    VAL  11           HN       VAL  11  61.541   2.373   9.831
   83    HA   VAL  11           HA       VAL  11  59.800   4.794   9.692
   84    HB   VAL  11           HB       VAL  11  59.199   2.315   8.079
   85   1HG1  VAL  11          HG13      VAL  11  58.002   4.877   8.481
   86   2HG1  VAL  11          HG12      VAL  11  58.517   4.760   6.798
   87   3HG1  VAL  11          HG11      VAL  11  57.432   3.545   7.475
   88   1HG2  VAL  11          HG23      VAL  11  61.080   4.567   7.367
   89   2HG2  VAL  11          HG22      VAL  11  61.348   2.829   7.230
   90   3HG2  VAL  11          HG21      VAL  11  60.238   3.639   6.125
   91    H    SER  12           HN       SER  12  57.391   3.254   9.502
   92    HA   SER  12           HA       SER  12  57.403   1.648  12.026
   93   1HB   SER  12           HB2      SER  12  56.392   3.769  12.492
   94   2HB   SER  12           HB1      SER  12  55.535   3.775  10.952
   95    HG   SER  12           HG       SER  12  55.096   1.659  12.733
   96    H    LYS  13           HN       LYS  13  56.903   1.667   8.706
   97    HA   LYS  13           HA       LYS  13  56.095  -0.037   7.288
   98   1HB   LYS  13           HB2      LYS  13  56.023  -2.059   8.277
   99   2HB   LYS  13           HB1      LYS  13  56.328  -1.227   9.796
  100   1HG   LYS  13           HG2      LYS  13  53.877  -0.989  10.150
  101   2HG   LYS  13           HG1      LYS  13  53.590  -1.858   8.643
  102   1HD   LYS  13           HD2      LYS  13  54.280  -3.888   9.517
  103   2HD   LYS  13           HD1      LYS  13  55.349  -3.135  10.702
  104   1HE   LYS  13           HE2      LYS  13  53.085  -2.196  11.704
  105   2HE   LYS  13           HE1      LYS  13  52.383  -3.584  10.849
  106   1HZ   LYS  13           HZ1      LYS  13  54.519  -4.733  11.886
  107   2HZ   LYS  13           HZ3      LYS  13  54.280  -3.540  13.069
  108   3HZ   LYS  13           HZ2      LYS  13  53.044  -4.652  12.723
  109    H    THR  14           HN       THR  14  53.976   1.241   9.837
  110    HA   THR  14           HA       THR  14  51.596   1.001   8.105
  111    HB   THR  14           HB       THR  14  50.461   1.816  10.102
  112    HG1  THR  14           HG1      THR  14  51.470   3.175  11.312
  113   1HG2  THR  14          HG23      THR  14  51.927  -0.505  10.007
  114   2HG2  THR  14          HG22      THR  14  52.504   0.227  11.505
  115   3HG2  THR  14          HG21      THR  14  50.783  -0.094  11.286
  116    H    ALA  15           HN       ALA  15  54.227   3.044   8.406
  117    HA   ALA  15           HA       ALA  15  53.133   5.672   8.252
  118   1HB   ALA  15           HB2      ALA  15  55.520   5.017   8.675
  119   2HB   ALA  15           HB1      ALA  15  55.639   4.487   6.997
  120   3HB   ALA  15           HB3      ALA  15  55.375   6.191   7.367
  121    H    GLU  16           HN       GLU  16  54.164   6.707   5.929
  122    HA   GLU  16           HA       GLU  16  53.023   5.255   3.622
  123   1HB   GLU  16           HB2      GLU  16  52.056   7.936   4.685
  124   2HB   GLU  16           HB1      GLU  16  51.629   7.302   3.092
  125   1HG   GLU  16           HG2      GLU  16  50.977   5.161   4.583
  126   2HG   GLU  16           HG1      GLU  16  50.717   6.423   5.787
  127    H    GLU  17           HN       GLU  17  53.200   8.538   3.016
  128    HA   GLU  17           HA       GLU  17  55.870   8.257   1.770
  129   1HB   GLU  17           HB2      GLU  17  53.563  10.202   1.661
  130   2HB   GLU  17           HB1      GLU  17  55.128  10.625   0.963
  131   1HG   GLU  17           HG2      GLU  17  54.869   8.197  -0.124
  132   2HG   GLU  17           HG1      GLU  17  53.157   8.561   0.090
  133    H    ARG  18           HN       ARG  18  54.182  10.083   4.263
  134    HA   ARG  18           HA       ARG  18  55.885  12.130   4.913
  135   1HB   ARG  18           HB2      ARG  18  55.094  11.662   7.303
  136   2HB   ARG  18           HB1      ARG  18  53.831  11.808   6.082
  137   1HG   ARG  18           HG2      ARG  18  53.146   9.848   7.097
  138   2HG   ARG  18           HG1      ARG  18  54.229   9.171   5.883
  139   1HD   ARG  18           HD2      ARG  18  55.176   8.140   7.702
  140   2HD   ARG  18           HD1      ARG  18  55.996   9.701   7.904
  141    HE   ARG  18           HE       ARG  18  54.025  10.357   9.371
  142   1HH1  ARG  18          HH21      ARG  18  52.815   7.547   8.532
  143   2HH1  ARG  18          HH22      ARG  18  52.934   6.737  10.059
  144   1HH2  ARG  18          HH11      ARG  18  55.048   9.107  11.453
  145   2HH2  ARG  18          HH12      ARG  18  54.198   7.620  11.712
  146    H    GLU  19           HN       GLU  19  56.453   8.714   5.898
  147    HA   GLU  19           HA       GLU  19  59.026   9.672   7.062
  148   1HB   GLU  19           HB2      GLU  19  57.109   7.729   7.806
  149   2HB   GLU  19           HB1      GLU  19  58.572   6.847   7.346
  150   1HG   GLU  19           HG2      GLU  19  59.809   7.730   9.044
  151   2HG   GLU  19           HG1      GLU  19  59.007   9.297   8.948
  152    H    ILE  20           HN       ILE  20  57.704   7.362   4.718
  153    HA   ILE  20           HA       ILE  20  60.222   6.360   3.883
  154    HB   ILE  20           HB       ILE  20  57.443   6.267   3.143
  155   1HG1  ILE  20          HG12      ILE  20  58.203   4.055   2.256
  156   2HG1  ILE  20          HG11      ILE  20  59.863   4.556   2.581
  157   1HG2  ILE  20          HG23      ILE  20  59.405   6.743   0.916
  158   2HG2  ILE  20          HG22      ILE  20  58.034   5.663   0.664
  159   3HG2  ILE  20          HG21      ILE  20  57.760   7.353   1.089
  160   1HD1  ILE  20          HD11      ILE  20  57.662   4.409   4.660
  161   2HD1  ILE  20          HD13      ILE  20  58.921   3.195   4.439
  162   3HD1  ILE  20          HD12      ILE  20  59.350   4.826   4.956
  163    H    ARG  21           HN       ARG  21  58.737   9.467   3.516
  164    HA   ARG  21           HA       ARG  21  60.342  10.163   1.142
  165   1HB   ARG  21           HB2      ARG  21  59.089  12.224   1.220
  166   2HB   ARG  21           HB1      ARG  21  57.956  10.943   1.642
  167   1HG   ARG  21           HG2      ARG  21  58.414  11.409   4.059
  168   2HG   ARG  21           HG1      ARG  21  59.409  12.779   3.565
  169   1HD   ARG  21           HD2      ARG  21  57.405  13.709   2.341
  170   2HD   ARG  21           HD1      ARG  21  56.433  12.417   3.072
  171    HE   ARG  21           HE       ARG  21  57.957  13.697   5.126
  172   1HH1  ARG  21          HH21      ARG  21  56.265  15.405   2.856
  173   2HH1  ARG  21          HH22      ARG  21  55.054  16.021   3.929
  174   1HH2  ARG  21          HH11      ARG  21  55.977  13.980   6.575
  175   2HH2  ARG  21          HH12      ARG  21  54.891  15.215   6.033
  176    H    LYS  22           HN       LYS  22  60.266  10.908   4.596
  177    HA   LYS  22           HA       LYS  22  62.660  12.606   4.400
  178   1HB   LYS  22           HB2      LYS  22  60.817  13.151   5.947
  179   2HB   LYS  22           HB1      LYS  22  60.966  11.564   6.702
  180   1HG   LYS  22           HG2      LYS  22  63.449  12.269   7.115
  181   2HG   LYS  22           HG1      LYS  22  62.849  13.906   6.848
  182   1HD   LYS  22           HD2      LYS  22  62.810  13.273   9.256
  183   2HD   LYS  22           HD1      LYS  22  61.198  13.627   8.632
  184   1HE   LYS  22           HE2      LYS  22  60.632  11.301   8.497
  185   2HE   LYS  22           HE1      LYS  22  62.319  10.809   8.752
  186   1HZ   LYS  22           HZ2      LYS  22  61.184  12.602  10.740
  187   2HZ   LYS  22           HZ1      LYS  22  60.559  11.023  10.736
  188   3HZ   LYS  22           HZ3      LYS  22  62.223  11.274  10.945
  189    H    ALA  23           HN       ALA  23  61.649   9.354   5.146
  190    HA   ALA  23           HA       ALA  23  64.172   8.533   6.398
  191   1HB   ALA  23           HB1      ALA  23  61.864   7.521   6.742
  192   2HB   ALA  23           HB3      ALA  23  61.988   6.862   5.110
  193   3HB   ALA  23           HB2      ALA  23  63.124   6.351   6.356
  194    H    TYR  24           HN       TYR  24  62.576   7.767   3.269
  195    HA   TYR  24           HA       TYR  24  64.685   6.431   1.992
  196   1HB   TYR  24           HB2      TYR  24  62.439   6.728   1.068
  197   2HB   TYR  24           HB1      TYR  24  62.701   8.461   0.923
  198    HD1  TYR  24           HD2      TYR  24  65.542   6.278   0.264
  199    HD2  TYR  24           HD1      TYR  24  62.173   8.255  -1.522
  200    HE1  TYR  24           HE2      TYR  24  66.543   5.953  -1.982
  201    HE2  TYR  24           HE1      TYR  24  63.174   7.933  -3.767
  202    HH   TYR  24           HH       TYR  24  65.570   7.605  -4.682
  203    H    LYS  25           HN       LYS  25  64.071   9.908   2.314
  204    HA   LYS  25           HA       LYS  25  66.451  10.726   0.847
  205   1HB   LYS  25           HB2      LYS  25  64.286  11.971   2.518
  206   2HB   LYS  25           HB1      LYS  25  65.722  12.923   2.140
  207   1HG   LYS  25           HG2      LYS  25  64.280  11.448  -0.049
  208   2HG   LYS  25           HG1      LYS  25  63.678  13.010   0.507
  209   1HD   LYS  25           HD2      LYS  25  65.907  14.008   0.078
  210   2HD   LYS  25           HD1      LYS  25  66.476  12.450  -0.523
  211   1HE   LYS  25           HE2      LYS  25  65.843  13.634  -2.491
  212   2HE   LYS  25           HE1      LYS  25  64.444  12.592  -2.159
  213   1HZ   LYS  25           HZ2      LYS  25  64.650  15.254  -0.908
  214   2HZ   LYS  25           HZ1      LYS  25  64.056  15.108  -2.494
  215   3HZ   LYS  25           HZ3      LYS  25  63.263  14.322  -1.217
  216    H    ARG  26           HN       ARG  26  65.499  10.661   4.321
  217    HA   ARG  26           HA       ARG  26  68.030  11.590   5.331
  218   1HB   ARG  26           HB2      ARG  26  66.025  11.558   6.688
  219   2HB   ARG  26           HB1      ARG  26  65.845   9.818   6.468
  220   1HG   ARG  26           HG2      ARG  26  66.885   9.762   8.509
  221   2HG   ARG  26           HG1      ARG  26  68.335   9.869   7.511
  222   1HD   ARG  26           HD2      ARG  26  68.793  12.000   8.202
  223   2HD   ARG  26           HD1      ARG  26  67.083  12.476   8.159
  224    HE   ARG  26           HE       ARG  26  66.787  11.461  10.354
  225   1HH1  ARG  26          HH11      ARG  26  68.137   9.439  11.267
  226   2HH1  ARG  26          HH12      ARG  26  69.688   9.952  11.842
  227   1HH2  ARG  26          HH21      ARG  26  69.598  12.988  10.165
  228   2HH2  ARG  26          HH22      ARG  26  70.513  11.964  11.220
  229    H    LEU  27           HN       LEU  27  66.817   8.282   4.721
  230    HA   LEU  27           HA       LEU  27  69.281   7.018   5.634
  231   1HB   LEU  27           HB2      LEU  27  66.619   6.309   4.911
  232   2HB   LEU  27           HB1      LEU  27  67.707   5.370   3.889
  233    HG   LEU  27           HG       LEU  27  67.143   4.289   6.112
  234   1HD1  LEU  27          HD12      LEU  27  69.534   4.401   4.680
  235   2HD1  LEU  27          HD11      LEU  27  70.031   4.662   6.353
  236   3HD1  LEU  27          HD13      LEU  27  69.122   3.214   5.917
  237   1HD2  LEU  27          HD21      LEU  27  67.913   6.880   7.038
  238   2HD2  LEU  27          HD23      LEU  27  67.368   5.504   7.997
  239   3HD2  LEU  27          HD22      LEU  27  69.085   5.720   7.660
  240    H    ALA  28           HN       ALA  28  68.104   8.284   2.574
  241    HA   ALA  28           HA       ALA  28  69.936   6.806   0.884
  242   1HB   ALA  28           HB1      ALA  28  68.367   9.366   0.615
  243   2HB   ALA  28           HB3      ALA  28  69.357   8.717  -0.692
  244   3HB   ALA  28           HB2      ALA  28  67.989   7.787  -0.078
  245    H    MET  29           HN       MET  29  70.183   9.617   2.912
  246    HA   MET  29           HA       MET  29  72.251  11.119   1.810
  247   1HB   MET  29           HB2      MET  29  71.014  11.326   4.013
  248   2HB   MET  29           HB1      MET  29  72.112  10.100   4.648
  249   1HG   MET  29           HG2      MET  29  73.942  11.506   4.602
  250   2HG   MET  29           HG1      MET  29  73.311  12.453   3.254
  251   1HE   MET  29           HE1      MET  29  71.507  13.719   3.195
  252   2HE   MET  29           HE3      MET  29  70.267  13.768   4.455
  253   3HE   MET  29           HE2      MET  29  71.412  15.097   4.289
  254    H    LYS  30           HN       LYS  30  72.425   8.124   3.657
  255    HA   LYS  30           HA       LYS  30  75.199   7.646   3.763
  256   1HB   LYS  30           HB2      LYS  30  72.640   6.286   3.987
  257   2HB   LYS  30           HB1      LYS  30  73.857   5.228   3.271
  258   1HG   LYS  30           HG2      LYS  30  74.337   4.836   5.486
  259   2HG   LYS  30           HG1      LYS  30  75.360   6.251   5.231
  260   1HD   LYS  30           HD2      LYS  30  73.539   7.709   6.053
  261   2HD   LYS  30           HD1      LYS  30  72.536   6.285   6.337
  262   1HE   LYS  30           HE2      LYS  30  74.267   5.417   7.918
  263   2HE   LYS  30           HE1      LYS  30  75.180   6.923   7.694
  264   1HZ   LYS  30           HZ1      LYS  30  72.767   7.909   8.126
  265   2HZ   LYS  30           HZ3      LYS  30  72.629   6.486   9.039
  266   3HZ   LYS  30           HZ2      LYS  30  73.861   7.602   9.390
  267    H    TYR  31           HN       TYR  31  73.006   7.661   1.114
  268    HA   TYR  31           HA       TYR  31  75.067   6.382  -0.660
  269   1HB   TYR  31           HB2      TYR  31  72.093   6.489  -1.179
  270   2HB   TYR  31           HB1      TYR  31  73.283   5.366  -1.846
  271    HD1  TYR  31           HD1      TYR  31  74.793   4.519   0.510
  272    HD2  TYR  31           HD2      TYR  31  70.575   5.195   0.059
  273    HE1  TYR  31           HE1      TYR  31  74.341   2.930   2.360
  274    HE2  TYR  31           HE2      TYR  31  70.122   3.607   1.910
  275    HH   TYR  31           HH       TYR  31  71.778   2.792   4.079
  276    H    HIS  32           HN       HIS  32  73.027   9.139  -0.091
  277    HA   HIS  32           HA       HIS  32  72.462  10.449  -2.367
  278   1HB   HIS  32           HB2      HIS  32  73.387  11.120   0.262
  279   2HB   HIS  32           HB1      HIS  32  74.094  12.257  -0.890
  280    HD1  HIS  32           HD1      HIS  32  70.660  10.739  -0.170
  281    HD2  HIS  32           HD2      HIS  32  72.348  14.292  -1.555
  282    HE1  HIS  32           HE1      HIS  32  68.741  12.355  -0.517
  283    HA   PRO  33           HA       PRO  33  75.794  10.736  -5.190
  284   1HB   PRO  33           HB2      PRO  33  75.371  13.299  -6.126
  285   2HB   PRO  33           HB1      PRO  33  74.379  11.900  -6.589
  286   1HG   PRO  33           HG2      PRO  33  73.875  13.936  -4.453
  287   2HG   PRO  33           HG1      PRO  33  72.776  13.337  -5.715
  288   1HD   PRO  33           HD2      PRO  33  72.597  12.349  -3.276
  289   2HD   PRO  33           HD1      PRO  33  72.520  11.250  -4.676
  290    H    ASP  34           HN       ASP  34  77.159  13.255  -5.781
  291    HA   ASP  34           HA       ASP  34  78.943  14.573  -4.925
  292   1HB   ASP  34           HB2      ASP  34  77.033  14.899  -3.124
  293   2HB   ASP  34           HB1      ASP  34  78.024  13.813  -2.150
  294    H    ARG  35           HN       ARG  35  78.420  12.027  -2.483
  295    HA   ARG  35           HA       ARG  35  81.201  11.108  -2.660
  296   1HB   ARG  35           HB2      ARG  35  80.511   9.817  -0.762
  297   2HB   ARG  35           HB1      ARG  35  79.636  11.337  -0.606
  298   1HG   ARG  35           HG2      ARG  35  77.668  10.284  -1.721
  299   2HG   ARG  35           HG1      ARG  35  78.545   8.753  -1.780
  300   1HD   ARG  35           HD2      ARG  35  78.090  10.232   0.828
  301   2HD   ARG  35           HD1      ARG  35  76.946   9.026   0.207
  302    HE   ARG  35           HE       ARG  35  79.730   8.118   0.199
  303   1HH1  ARG  35          HH21      ARG  35  77.326   8.872   2.478
  304   2HH1  ARG  35          HH22      ARG  35  77.420   7.357   3.312
  305   1HH2  ARG  35          HH11      ARG  35  79.631   5.947   1.045
  306   2HH2  ARG  35          HH12      ARG  35  78.724   5.701   2.500
  307    H    ASN  36           HN       ASN  36  78.004  10.343  -3.778
  308    HA   ASN  36           HA       ASN  36  78.759   7.685  -4.863
  309   1HB   ASN  36           HB2      ASN  36  76.319   9.256  -4.155
  310   2HB   ASN  36           HB1      ASN  36  76.167   8.139  -5.509
  311   1HD2  ASN  36          HD22      ASN  36  75.636   5.505  -3.251
  312   2HD2  ASN  36          HD21      ASN  36  75.100   6.352  -4.620
  313    H    GLN  37           HN       GLN  37  78.069  10.967  -5.852
  314    HA   GLN  37           HA       GLN  37  78.389  11.993  -7.947
  315   1HB   GLN  37           HB2      GLN  37  79.041   9.280  -9.079
  316   2HB   GLN  37           HB1      GLN  37  79.665  10.849  -9.580
  317   1HG   GLN  37           HG2      GLN  37  80.366  10.627  -6.872
  318   2HG   GLN  37           HG1      GLN  37  80.697   9.038  -7.563
  319   1HE2  GLN  37          HE22      GLN  37  82.947  12.251  -8.705
  320   2HE2  GLN  37          HE21      GLN  37  81.571  12.470  -7.733
  321    H    GLY  38           HN       GLY  38  76.030  12.169  -7.669
  322   1HA   GLY  38           HA2      GLY  38  73.904  12.087  -8.663
  323   2HA   GLY  38           HA1      GLY  38  74.639  11.220 -10.017
  324    H    ASP  39           HN       ASP  39  75.540   8.942  -9.116
  325    HA   ASP  39           HA       ASP  39  73.646   7.684  -7.223
  326   1HB   ASP  39           HB2      ASP  39  73.763   7.072 -10.186
  327   2HB   ASP  39           HB1      ASP  39  72.982   6.015  -9.011
  328    H    LYS  40           HN       LYS  40  75.173   5.848  -9.745
  329    HA   LYS  40           HA       LYS  40  76.913   4.292  -9.699
  330   1HB   LYS  40           HB2      LYS  40  77.872   6.206  -7.616
  331   2HB   LYS  40           HB1      LYS  40  78.894   5.058  -8.462
  332   1HG   LYS  40           HG2      LYS  40  77.332   7.339  -9.716
  333   2HG   LYS  40           HG1      LYS  40  79.079   7.291  -9.482
  334   1HD   LYS  40           HD2      LYS  40  79.273   5.384 -10.986
  335   2HD   LYS  40           HD1      LYS  40  77.517   5.296 -11.151
  336   1HE   LYS  40           HE2      LYS  40  77.447   7.045 -12.626
  337   2HE   LYS  40           HE1      LYS  40  78.712   7.945 -11.765
  338   1HZ   LYS  40           HZ2      LYS  40  80.157   5.923 -12.547
  339   2HZ   LYS  40           HZ1      LYS  40  78.982   5.820 -13.771
  340   3HZ   LYS  40           HZ3      LYS  40  79.886   7.244 -13.582
  341    H    GLU  41           HN       GLU  41  76.824   5.284  -6.278
  342    HA   GLU  41           HA       GLU  41  76.626   2.426  -5.497
  343   1HB   GLU  41           HB2      GLU  41  77.514   4.997  -4.345
  344   2HB   GLU  41           HB1      GLU  41  76.674   3.949  -3.202
  345   1HG   GLU  41           HG2      GLU  41  78.548   2.728  -2.989
  346   2HG   GLU  41           HG1      GLU  41  78.425   2.289  -4.693
  347    H    ALA  42           HN       ALA  42  74.634   5.150  -6.005
  348    HA   ALA  42           HA       ALA  42  72.525   4.319  -4.116
  349   1HB   ALA  42           HB1      ALA  42  73.363   6.696  -5.235
  350   2HB   ALA  42           HB3      ALA  42  71.962   6.303  -6.231
  351   3HB   ALA  42           HB2      ALA  42  71.785   6.452  -4.483
  352    H    GLU  43           HN       GLU  43  73.466   3.885  -7.453
  353    HA   GLU  43           HA       GLU  43  71.022   3.318  -8.727
  354   1HB   GLU  43           HB2      GLU  43  73.392   3.392  -9.646
  355   2HB   GLU  43           HB1      GLU  43  73.613   1.766  -8.999
  356   1HG   GLU  43           HG2      GLU  43  71.818   0.906 -10.383
  357   2HG   GLU  43           HG1      GLU  43  71.403   2.532 -10.926
  358    H    ALA  44           HN       ALA  44  73.133   0.996  -6.980
  359    HA   ALA  44           HA       ALA  44  71.063  -1.089  -7.049
  360   1HB   ALA  44           HB3      ALA  44  73.685  -1.232  -7.020
  361   2HB   ALA  44           HB2      ALA  44  73.507  -1.028  -5.278
  362   3HB   ALA  44           HB1      ALA  44  72.766  -2.410  -6.083
  363    H    LYS  45           HN       LYS  45  72.500   1.056  -4.548
  364    HA   LYS  45           HA       LYS  45  71.067   0.129  -2.325
  365   1HB   LYS  45           HB2      LYS  45  72.601   2.403  -3.079
  366   2HB   LYS  45           HB1      LYS  45  71.133   2.995  -2.290
  367   1HG   LYS  45           HG2      LYS  45  72.020   2.428  -0.305
  368   2HG   LYS  45           HG1      LYS  45  71.984   0.739  -0.813
  369   1HD   LYS  45           HD2      LYS  45  74.178   2.039  -2.116
  370   2HD   LYS  45           HD1      LYS  45  74.269   2.375  -0.386
  371   1HE   LYS  45           HE2      LYS  45  73.781  -0.191  -0.116
  372   2HE   LYS  45           HE1      LYS  45  74.353  -0.286  -1.794
  373   1HZ   LYS  45           HZ3      LYS  45  75.800   1.075   0.418
  374   2HZ   LYS  45           HZ2      LYS  45  76.181  -0.471  -0.177
  375   3HZ   LYS  45           HZ1      LYS  45  76.347   0.892  -1.179
  376    H    PHE  46           HN       PHE  46  69.894   2.009  -5.084
  377    HA   PHE  46           HA       PHE  46  67.424   2.918  -3.957
  378   1HB   PHE  46           HB2      PHE  46  68.252   1.982  -6.731
  379   2HB   PHE  46           HB1      PHE  46  66.686   2.722  -6.405
  380    HD1  PHE  46           HD2      PHE  46  68.264   4.476  -4.095
  381    HD2  PHE  46           HD1      PHE  46  68.565   3.923  -8.348
  382    HE1  PHE  46           HE2      PHE  46  69.280   6.721  -4.316
  383    HE2  PHE  46           HE1      PHE  46  69.582   6.174  -8.564
  384    HZ   PHE  46           HZ       PHE  46  69.939   7.572  -6.547
  385    H    LYS  47           HN       LYS  47  68.572  -0.214  -4.961
  386    HA   LYS  47           HA       LYS  47  66.003  -1.502  -4.954
  387   1HB   LYS  47           HB2      LYS  47  67.288  -3.383  -5.579
  388   2HB   LYS  47           HB1      LYS  47  68.329  -2.069  -6.112
  389   1HG   LYS  47           HG2      LYS  47  69.961  -2.788  -4.762
  390   2HG   LYS  47           HG1      LYS  47  68.909  -2.679  -3.353
  391   1HD   LYS  47           HD2      LYS  47  68.627  -4.944  -5.299
  392   2HD   LYS  47           HD1      LYS  47  69.846  -5.006  -4.024
  393   1HE   LYS  47           HE2      LYS  47  67.755  -4.261  -2.519
  394   2HE   LYS  47           HE1      LYS  47  66.873  -5.111  -3.804
  395   1HZ   LYS  47           HZ1      LYS  47  68.880  -6.783  -3.472
  396   2HZ   LYS  47           HZ3      LYS  47  68.831  -6.152  -1.899
  397   3HZ   LYS  47           HZ2      LYS  47  67.454  -6.901  -2.556
  398    H    GLU  48           HN       GLU  48  68.038  -0.249  -2.595
  399    HA   GLU  48           HA       GLU  48  67.283  -2.211  -0.557
  400   1HB   GLU  48           HB2      GLU  48  68.952   0.320  -0.465
  401   2HB   GLU  48           HB1      GLU  48  68.789  -0.821   0.869
  402   1HG   GLU  48           HG2      GLU  48  69.651  -1.868  -1.800
  403   2HG   GLU  48           HG1      GLU  48  70.831  -0.998  -0.819
  404    H    ILE  49           HN       ILE  49  66.711   1.158  -1.462
  405    HA   ILE  49           HA       ILE  49  64.568   1.267   0.620
  406    HB   ILE  49           HB       ILE  49  66.041   3.410  -0.934
  407   1HG1  ILE  49          HG12      ILE  49  66.636   3.838   1.667
  408   2HG1  ILE  49          HG11      ILE  49  66.453   2.080   1.685
  409   1HG2  ILE  49          HG21      ILE  49  63.714   3.435   0.922
  410   2HG2  ILE  49          HG23      ILE  49  64.890   4.738   1.072
  411   3HG2  ILE  49          HG22      ILE  49  64.061   4.471  -0.461
  412   1HD1  ILE  49          HD13      ILE  49  67.857   2.443  -0.623
  413   2HD1  ILE  49          HD12      ILE  49  68.507   3.739   0.381
  414   3HD1  ILE  49          HD11      ILE  49  68.592   2.065   0.934
  415    H    LYS  50           HN       LYS  50  65.323   2.073  -2.783
  416    HA   LYS  50           HA       LYS  50  62.608   2.852  -3.324
  417   1HB   LYS  50           HB2      LYS  50  65.095   2.989  -4.554
  418   2HB   LYS  50           HB1      LYS  50  64.219   1.852  -5.579
  419   1HG   LYS  50           HG2      LYS  50  62.356   3.478  -5.766
  420   2HG   LYS  50           HG1      LYS  50  63.276   4.623  -4.786
  421   1HD   LYS  50           HD2      LYS  50  63.974   5.354  -6.844
  422   2HD   LYS  50           HD1      LYS  50  65.140   4.044  -6.650
  423   1HE   LYS  50           HE2      LYS  50  64.299   3.399  -8.698
  424   2HE   LYS  50           HE1      LYS  50  63.031   2.665  -7.696
  425   1HZ   LYS  50           HZ1      LYS  50  61.849   4.814  -7.776
  426   2HZ   LYS  50           HZ3      LYS  50  63.005   5.393  -8.873
  427   3HZ   LYS  50           HZ2      LYS  50  62.000   4.093  -9.308
  428    H    GLU  51           HN       GLU  51  64.306  -0.224  -3.215
  429    HA   GLU  51           HA       GLU  51  62.132  -1.571  -4.727
  430   1HB   GLU  51           HB2      GLU  51  64.153  -2.539  -5.247
  431   2HB   GLU  51           HB1      GLU  51  64.852  -2.034  -3.730
  432   1HG   GLU  51           HG2      GLU  51  64.599  -4.535  -4.004
  433   2HG   GLU  51           HG1      GLU  51  63.882  -3.862  -2.540
  434    H    ALA  52           HN       ALA  52  63.344  -1.138  -1.448
  435    HA   ALA  52           HA       ALA  52  61.347  -2.966  -0.264
  436   1HB   ALA  52           HB3      ALA  52  63.902  -2.092   0.353
  437   2HB   ALA  52           HB2      ALA  52  62.900  -1.158   1.463
  438   3HB   ALA  52           HB1      ALA  52  62.822  -2.920   1.474
  439    H    TYR  53           HN       TYR  53  62.155   0.507  -0.178
  440    HA   TYR  53           HA       TYR  53  59.771   1.243   1.312
  441   1HB   TYR  53           HB2      TYR  53  61.099   3.014   1.673
  442   2HB   TYR  53           HB1      TYR  53  62.300   2.270   0.649
  443    HD1  TYR  53           HD1      TYR  53  61.195   2.565  -2.065
  444    HD2  TYR  53           HD2      TYR  53  61.078   5.266   1.268
  445    HE1  TYR  53           HE1      TYR  53  61.089   4.481  -3.621
  446    HE2  TYR  53           HE2      TYR  53  60.953   7.183  -0.289
  447    HH   TYR  53           HH       TYR  53  60.951   6.680  -3.825
  448    H    GLU  54           HN       GLU  54  60.020   0.202  -1.799
  449    HA   GLU  54           HA       GLU  54  58.353   2.190  -3.148
  450   1HB   GLU  54           HB2      GLU  54  59.564   1.008  -4.706
  451   2HB   GLU  54           HB1      GLU  54  59.666  -0.422  -3.683
  452   1HG   GLU  54           HG2      GLU  54  57.740  -1.333  -4.537
  453   2HG   GLU  54           HG1      GLU  54  56.972   0.239  -4.763
  454    H    VAL  55           HN       VAL  55  57.866  -0.581  -1.117
  455    HA   VAL  55           HA       VAL  55  54.935  -0.525  -1.687
  456    HB   VAL  55           HB       VAL  55  55.128  -2.782  -1.849
  457   1HG1  VAL  55          HG12      VAL  55  57.394  -2.244  -2.679
  458   2HG1  VAL  55          HG11      VAL  55  58.010  -2.510  -1.047
  459   3HG1  VAL  55          HG13      VAL  55  57.272  -3.837  -1.938
  460   1HG2  VAL  55          HG22      VAL  55  56.401  -2.650   0.887
  461   2HG2  VAL  55          HG21      VAL  55  54.710  -2.981   0.523
  462   3HG2  VAL  55          HG23      VAL  55  55.950  -4.149   0.074
  463    H    LEU  56           HN       LEU  56  56.743   1.092   0.201
  464    HA   LEU  56           HA       LEU  56  55.583   0.347   2.832
  465   1HB   LEU  56           HB2      LEU  56  57.942   1.642   1.755
  466   2HB   LEU  56           HB1      LEU  56  57.192   2.655   2.990
  467    HG   LEU  56           HG       LEU  56  58.866   1.035   3.918
  468   1HD1  LEU  56          HD13      LEU  56  56.229   1.607   4.814
  469   2HD1  LEU  56          HD12      LEU  56  56.553  -0.082   5.204
  470   3HD1  LEU  56          HD11      LEU  56  57.633   1.183   5.793
  471   1HD2  LEU  56          HD22      LEU  56  57.226  -0.786   2.329
  472   2HD2  LEU  56          HD21      LEU  56  58.836  -1.034   3.008
  473   3HD2  LEU  56          HD23      LEU  56  57.406  -1.339   3.995
  474    H    THR  57           HN       THR  57  54.484   2.045   0.245
  475    HA   THR  57           HA       THR  57  52.962   3.940   1.989
  476    HB   THR  57           HB       THR  57  54.060   5.711   1.099
  477    HG1  THR  57           HG1      THR  57  53.040   6.204  -0.645
  478   1HG2  THR  57          HG23      THR  57  55.964   4.044   0.871
  479   2HG2  THR  57          HG22      THR  57  55.496   3.854  -0.818
  480   3HG2  THR  57          HG21      THR  57  56.046   5.422  -0.226
  481    H    ASP  58           HN       ASP  58  52.785   1.491  -0.231
  482    HA   ASP  58           HA       ASP  58  50.415   2.617  -1.658
  483   1HB   ASP  58           HB2      ASP  58  52.184   1.659  -3.027
  484   2HB   ASP  58           HB1      ASP  58  52.166   0.167  -2.072
  485    H    SER  59           HN       SER  59  48.362   1.677  -1.395
  486    HA   SER  59           HA       SER  59  47.557   0.402   0.940
  487   1HB   SER  59           HB2      SER  59  46.232  -0.585  -1.503
  488   2HB   SER  59           HB1      SER  59  45.556   0.339  -0.165
  489    HG   SER  59           HG       SER  59  45.581   1.847  -1.665
  490    H    GLN  60           HN       GLN  60  48.090  -1.319  -2.146
  491    HA   GLN  60           HA       GLN  60  48.375  -3.909  -0.836
  492   1HB   GLN  60           HB2      GLN  60  48.793  -4.622  -3.131
  493   2HB   GLN  60           HB1      GLN  60  47.529  -3.388  -3.192
  494   1HG   GLN  60           HG2      GLN  60  49.825  -1.879  -3.263
  495   2HG   GLN  60           HG1      GLN  60  50.284  -3.293  -4.209
  496   1HE2  GLN  60          HE22      GLN  60  47.580  -0.645  -5.712
  497   2HE2  GLN  60          HE21      GLN  60  48.208  -0.457  -4.147
  498    H    LYS  61           HN       LYS  61  50.761  -4.348  -2.789
  499    HA   LYS  61           HA       LYS  61  53.099  -4.355  -2.645
  500   1HB   LYS  61           HB2      LYS  61  52.027  -1.692  -2.108
  501   2HB   LYS  61           HB1      LYS  61  53.613  -1.917  -1.374
  502   1HG   LYS  61           HG2      LYS  61  54.485  -2.742  -3.558
  503   2HG   LYS  61           HG1      LYS  61  52.902  -2.466  -4.275
  504   1HD   LYS  61           HD2      LYS  61  53.702  -0.061  -2.942
  505   2HD   LYS  61           HD1      LYS  61  55.031  -0.595  -3.967
  506   1HE   LYS  61           HE2      LYS  61  52.657  -1.004  -5.467
  507   2HE   LYS  61           HE1      LYS  61  52.555   0.624  -4.767
  508   1HZ   LYS  61           HZ2      LYS  61  55.138  -0.262  -5.817
  509   2HZ   LYS  61           HZ1      LYS  61  53.944   0.177  -6.942
  510   3HZ   LYS  61           HZ3      LYS  61  54.465   1.297  -5.781
  511    H    ARG  62           HN       ARG  62  52.079  -2.679   0.355
  512    HA   ARG  62           HA       ARG  62  53.969  -3.751   2.122
  513   1HB   ARG  62           HB2      ARG  62  51.010  -3.174   2.514
  514   2HB   ARG  62           HB1      ARG  62  52.191  -3.291   3.817
  515   1HG   ARG  62           HG2      ARG  62  53.248  -1.300   3.217
  516   2HG   ARG  62           HG1      ARG  62  52.678  -1.386   1.549
  517   1HD   ARG  62           HD2      ARG  62  50.459  -0.740   2.166
  518   2HD   ARG  62           HD1      ARG  62  50.793  -0.990   3.890
  519    HE   ARG  62           HE       ARG  62  52.370   1.037   2.369
  520   1HH1  ARG  62          HH21      ARG  62  53.213   1.525   4.859
  521   2HH1  ARG  62          HH22      ARG  62  51.988   2.419   5.695
  522   1HH2  ARG  62          HH11      ARG  62  49.475   1.583   3.460
  523   2HH2  ARG  62          HH12      ARG  62  49.873   2.454   4.903
  524    H    ALA  63           HN       ALA  63  50.963  -5.148   0.902
  525    HA   ALA  63           HA       ALA  63  51.399  -7.647   2.461
  526   1HB   ALA  63           HB1      ALA  63  49.165  -6.319   0.942
  527   2HB   ALA  63           HB3      ALA  63  49.079  -8.051   1.263
  528   3HB   ALA  63           HB2      ALA  63  49.175  -6.910   2.604
  529    H    ALA  64           HN       ALA  64  51.776  -6.303  -0.705
  530    HA   ALA  64           HA       ALA  64  51.774  -8.914  -2.079
  531   1HB   ALA  64           HB3      ALA  64  50.874  -6.820  -3.089
  532   2HB   ALA  64           HB2      ALA  64  52.480  -6.101  -2.984
  533   3HB   ALA  64           HB1      ALA  64  52.200  -7.479  -4.047
  534    H    TYR  65           HN       TYR  65  54.046  -6.767  -0.577
  535    HA   TYR  65           HA       TYR  65  56.319  -8.207  -1.887
  536   1HB   TYR  65           HB2      TYR  65  55.703  -5.518  -1.241
  537   2HB   TYR  65           HB1      TYR  65  57.052  -5.989  -0.219
  538    HD1  TYR  65           HD2      TYR  65  59.113  -7.014  -1.260
  539    HD2  TYR  65           HD1      TYR  65  56.005  -5.185  -3.595
  540    HE1  TYR  65           HE2      TYR  65  60.661  -6.848  -3.191
  541    HE2  TYR  65           HE1      TYR  65  57.552  -5.019  -5.526
  542    HH   TYR  65           HH       TYR  65  60.943  -6.086  -5.257
  543    H    ASP  66           HN       ASP  66  54.519  -8.038   0.999
  544    HA   ASP  66           HA       ASP  66  56.770  -8.718   2.740
  545   1HB   ASP  66           HB2      ASP  66  55.075  -8.666   4.480
  546   2HB   ASP  66           HB1      ASP  66  54.795  -7.306   3.395
  547    H    GLN  67           HN       GLN  67  54.252 -10.396   0.928
  548    HA   GLN  67           HA       GLN  67  55.116 -12.962   2.243
  549   1HB   GLN  67           HB2      GLN  67  52.830 -13.710   1.265
  550   2HB   GLN  67           HB1      GLN  67  52.814 -12.628   2.657
  551   1HG   GLN  67           HG2      GLN  67  51.981 -10.880   1.455
  552   2HG   GLN  67           HG1      GLN  67  52.912 -11.293   0.016
  553   1HE2  GLN  67          HE22      GLN  67  50.422 -13.814  -0.989
  554   2HE2  GLN  67          HE21      GLN  67  52.105 -13.724  -0.783
  555    H    TYR  68           HN       TYR  68  54.960 -11.213  -0.748
  556    HA   TYR  68           HA       TYR  68  55.438 -13.680  -2.348
  557   1HB   TYR  68           HB2      TYR  68  54.199 -11.116  -2.706
  558   2HB   TYR  68           HB1      TYR  68  55.499 -11.284  -3.893
  559    HD1  TYR  68           HD1      TYR  68  55.609 -13.971  -4.711
  560    HD2  TYR  68           HD2      TYR  68  52.131 -11.727  -3.559
  561    HE1  TYR  68           HE1      TYR  68  54.179 -15.496  -6.048
  562    HE2  TYR  68           HE2      TYR  68  50.704 -13.252  -4.895
  563    HH   TYR  68           HH       TYR  68  51.059 -14.788  -6.929
  564    H    GLY  69           HN       GLY  69  57.589 -13.446  -0.799
  565   1HA   GLY  69           HA2      GLY  69  59.615 -11.595  -1.629
  566   2HA   GLY  69           HA1      GLY  69  59.913 -13.113  -0.782
  567    H    HIS  70           HN       HIS  70  58.827 -14.906  -2.678
  568    HA   HIS  70           HA       HIS  70  60.049 -14.400  -5.297
  569   1HB   HIS  70           HB2      HIS  70  62.014 -14.882  -3.982
  570   2HB   HIS  70           HB1      HIS  70  61.242 -16.297  -3.262
  571    HD1  HIS  70           HD1      HIS  70  62.431 -15.033  -6.648
  572    HD2  HIS  70           HD2      HIS  70  61.568 -18.637  -4.736
  573    HE1  HIS  70           HE1      HIS  70  63.140 -16.875  -8.236
  574    H    ALA  71           HN       ALA  71  58.087 -15.075  -6.201
  575    HA   ALA  71           HA       ALA  71  56.356 -16.582  -6.820
  576   1HB   ALA  71           HB2      ALA  71  58.993 -18.009  -6.729
  577   2HB   ALA  71           HB1      ALA  71  57.543 -18.944  -7.101
  578   3HB   ALA  71           HB3      ALA  71  58.005 -17.585  -8.127
  579    H    ALA  72           HN       ALA  72  56.915 -16.196  -3.840
  580    HA   ALA  72           HA       ALA  72  56.808 -18.428  -2.234
  581   1HB   ALA  72           HB2      ALA  72  55.351 -15.798  -2.243
  582   2HB   ALA  72           HB1      ALA  72  55.021 -16.968  -0.966
  583   3HB   ALA  72           HB3      ALA  72  56.654 -16.338  -1.186
  584    H    PHE  73           HN       PHE  73  53.863 -16.951  -3.669
  585    HA   PHE  73           HA       PHE  73  52.347 -19.431  -3.130
  586   1HB   PHE  73           HB2      PHE  73  51.869 -16.594  -3.593
  587   2HB   PHE  73           HB1      PHE  73  50.778 -17.598  -4.550
  588    HD1  PHE  73           HD1      PHE  73  52.178 -17.335  -1.077
  589    HD2  PHE  73           HD2      PHE  73  48.854 -18.455  -3.555
  590    HE1  PHE  73           HE1      PHE  73  50.829 -17.812   0.949
  591    HE2  PHE  73           HE2      PHE  73  47.504 -18.932  -1.530
  592    HZ   PHE  73           HZ       PHE  73  48.492 -18.610   0.722
  593    H    GLU  74           HN       GLU  74  53.335 -20.890  -4.664
  594    HA   GLU  74           HA       GLU  74  52.672 -20.268  -7.525
  595   1HB   GLU  74           HB2      GLU  74  54.738 -21.393  -8.120
  596   2HB   GLU  74           HB1      GLU  74  55.113 -20.207  -6.870
  597   1HG   GLU  74           HG2      GLU  74  55.974 -21.854  -5.605
  598   2HG   GLU  74           HG1      GLU  74  54.370 -22.584  -5.518
  599    H    GLN  75           HN       GLN  75  50.874 -21.602  -5.754
  600    HA   GLN  75           HA       GLN  75  51.108 -24.472  -5.861
  601   1HB   GLN  75           HB2      GLN  75  49.429 -22.476  -4.777
  602   2HB   GLN  75           HB1      GLN  75  48.388 -23.475  -5.791
  603   1HG   GLN  75           HG2      GLN  75  48.306 -24.803  -3.934
  604   2HG   GLN  75           HG1      GLN  75  49.845 -25.405  -4.552
  605   1HE2  GLN  75          HE22      GLN  75  50.163 -22.502  -1.651
  606   2HE2  GLN  75          HE21      GLN  75  49.032 -22.305  -2.900
  607    H    GLY  76           HN       GLY  76  51.741 -24.606  -8.232
  608   1HA   GLY  76           HA2      GLY  76  50.966 -25.585 -10.269
  609   2HA   GLY  76           HA1      GLY  76  49.323 -25.102  -9.846
  610    H    GLY  77           HN       GLY  77  52.390 -23.943 -11.157
  611   1HA   GLY  77           HA2      GLY  77  51.832 -22.459 -13.234
  612   2HA   GLY  77           HA1      GLY  77  51.028 -21.442 -12.039
   
  No H/Q in entry =         612
  Start of MODEL    6
    1   1H    ALA   1           HT2      ALA   1  66.975 -15.397   5.983
    2   2H    ALA   1           HT1      ALA   1  67.585 -15.670   4.421
    3   3H    ALA   1           HT3      ALA   1  68.653 -15.477   5.724
    4    HA   ALA   1           HA       ALA   1  68.765 -13.389   4.779
    5   1HB   ALA   1           HB1      ALA   1  66.827 -14.310   3.248
    6   2HB   ALA   1           HB3      ALA   1  65.793 -13.369   4.324
    7   3HB   ALA   1           HB2      ALA   1  67.061 -12.568   3.397
    8    H    LYS   2           HN       LYS   2  68.957 -11.804   6.314
    9    HA   LYS   2           HA       LYS   2  66.983 -11.753   8.556
   10   1HB   LYS   2           HB2      LYS   2  69.868 -11.077   8.138
   11   2HB   LYS   2           HB1      LYS   2  68.992 -10.187   9.385
   12   1HG   LYS   2           HG2      LYS   2  68.192 -12.806   9.814
   13   2HG   LYS   2           HG1      LYS   2  69.893 -12.975   9.375
   14   1HD   LYS   2           HD2      LYS   2  69.193 -10.802  11.294
   15   2HD   LYS   2           HD1      LYS   2  69.127 -12.460  11.893
   16   1HE   LYS   2           HE2      LYS   2  71.454 -12.832  11.103
   17   2HE   LYS   2           HE1      LYS   2  71.522 -11.146  10.557
   18   1HZ   LYS   2           HZ2      LYS   2  70.492 -11.081  13.124
   19   2HZ   LYS   2           HZ1      LYS   2  71.795 -12.168  13.193
   20   3HZ   LYS   2           HZ3      LYS   2  72.042 -10.586  12.634
   21    H    GLN   3           HN       GLN   3  66.637  -9.421   9.435
   22    HA   GLN   3           HA       GLN   3  65.664  -7.302   9.028
   23   1HB   GLN   3           HB2      GLN   3  67.825  -7.264   6.897
   24   2HB   GLN   3           HB1      GLN   3  67.122  -5.867   7.712
   25   1HG   GLN   3           HG2      GLN   3  68.154  -6.403   9.772
   26   2HG   GLN   3           HG1      GLN   3  68.504  -8.057   9.261
   27   1HE2  GLN   3          HE22      GLN   3  71.331  -7.071   7.237
   28   2HE2  GLN   3          HE21      GLN   3  70.067  -8.202   7.297
   29    H    ASP   4           HN       ASP   4  63.644  -7.627   8.182
   30    HA   ASP   4           HA       ASP   4  62.967  -8.759   5.675
   31   1HB   ASP   4           HB2      ASP   4  61.480  -8.411   7.605
   32   2HB   ASP   4           HB1      ASP   4  61.592  -6.665   7.388
   33    H    TYR   5           HN       TYR   5  61.792  -5.503   5.956
   34    HA   TYR   5           HA       TYR   5  63.698  -4.196   4.250
   35   1HB   TYR   5           HB2      TYR   5  62.858  -4.571   2.146
   36   2HB   TYR   5           HB1      TYR   5  62.413  -6.090   2.922
   37    HD1  TYR   5           HD1      TYR   5  61.132  -2.656   2.243
   38    HD2  TYR   5           HD2      TYR   5  60.176  -6.768   2.992
   39    HE1  TYR   5           HE1      TYR   5  58.755  -2.172   1.805
   40    HE2  TYR   5           HE2      TYR   5  57.793  -6.293   2.555
   41    HH   TYR   5           HH       TYR   5  56.635  -2.993   2.034
   42    H    TYR   6           HN       TYR   6  60.448  -4.318   5.620
   43    HA   TYR   6           HA       TYR   6  59.718  -1.610   4.955
   44   1HB   TYR   6           HB2      TYR   6  57.823  -2.229   6.061
   45   2HB   TYR   6           HB1      TYR   6  58.551  -3.828   6.144
   46    HD1  TYR   6           HD1      TYR   6  58.818  -0.532   7.961
   47    HD2  TYR   6           HD2      TYR   6  58.611  -4.812   8.242
   48    HE1  TYR   6           HE1      TYR   6  58.879  -0.380  10.424
   49    HE2  TYR   6           HE2      TYR   6  58.663  -4.648  10.712
   50    HH   TYR   6           HH       TYR   6  59.614  -2.835  12.415
   51    H    GLU   7           HN       GLU   7  61.382  -3.200   7.608
   52    HA   GLU   7           HA       GLU   7  61.867  -0.768   9.100
   53   1HB   GLU   7           HB2      GLU   7  62.303  -3.639   9.273
   54   2HB   GLU   7           HB1      GLU   7  63.721  -2.746   9.823
   55   1HG   GLU   7           HG2      GLU   7  61.423  -1.432  10.877
   56   2HG   GLU   7           HG1      GLU   7  61.245  -3.156  11.201
   57    H    ILE   8           HN       ILE   8  63.532  -2.608   6.587
   58    HA   ILE   8           HA       ILE   8  66.166  -1.750   6.786
   59    HB   ILE   8           HB       ILE   8  64.244  -2.253   4.541
   60   1HG1  ILE   8          HG12      ILE   8  65.704  -4.133   4.129
   61   2HG1  ILE   8          HG11      ILE   8  66.927  -3.483   5.220
   62   1HG2  ILE   8          HG22      ILE   8  66.867  -0.852   4.322
   63   2HG2  ILE   8          HG21      ILE   8  66.490  -2.082   3.114
   64   3HG2  ILE   8          HG23      ILE   8  65.421  -0.694   3.323
   65   1HD1  ILE   8          HD12      ILE   8  64.131  -4.294   6.069
   66   2HD1  ILE   8          HD11      ILE   8  65.565  -5.299   6.268
   67   3HD1  ILE   8          HD13      ILE   8  65.436  -3.764   7.128
   68    H    LEU   9           HN       LEU   9  63.322   0.176   5.927
   69    HA   LEU   9           HA       LEU   9  65.073   2.531   5.351
   70   1HB   LEU   9           HB2      LEU   9  62.069   2.143   5.142
   71   2HB   LEU   9           HB1      LEU   9  62.986   3.501   4.497
   72    HG   LEU   9           HG       LEU   9  62.710   2.120   2.620
   73   1HD1  LEU   9          HD13      LEU   9  65.329   1.332   3.929
   74   2HD1  LEU   9          HD12      LEU   9  64.928   1.000   2.245
   75   3HD1  LEU   9          HD11      LEU   9  65.060   2.667   2.807
   76   1HD2  LEU   9          HD21      LEU   9  61.959   0.200   4.293
   77   2HD2  LEU   9          HD23      LEU   9  62.488  -0.182   2.655
   78   3HD2  LEU   9          HD22      LEU   9  63.603  -0.374   4.007
   79    H    GLY  10           HN       GLY  10  64.576   1.367   8.134
   80   1HA   GLY  10           HA2      GLY  10  63.931   2.136  10.273
   81   2HA   GLY  10           HA1      GLY  10  64.473   3.702   9.660
   82    H    VAL  11           HN       VAL  11  61.669   1.507   9.551
   83    HA   VAL  11           HA       VAL  11  59.868   3.883   9.737
   84    HB   VAL  11           HB       VAL  11  59.436   1.646   7.744
   85   1HG1  VAL  11          HG12      VAL  11  58.105   4.107   8.479
   86   2HG1  VAL  11          HG11      VAL  11  58.558   4.127   6.775
   87   3HG1  VAL  11          HG13      VAL  11  57.555   2.821   7.405
   88   1HG2  VAL  11          HG22      VAL  11  61.205   4.069   7.515
   89   2HG2  VAL  11          HG21      VAL  11  61.514   2.417   6.978
   90   3HG2  VAL  11          HG23      VAL  11  60.383   3.438   6.089
   91    H    SER  12           HN       SER  12  57.522   2.246   9.232
   92    HA   SER  12           HA       SER  12  57.561   0.324  11.519
   93   1HB   SER  12           HB2      SER  12  55.026   1.279  11.499
   94   2HB   SER  12           HB1      SER  12  56.314   2.024  12.441
   95    HG   SER  12           HG       SER  12  56.593   3.529  10.858
   96    H    LYS  13           HN       LYS  13  57.155   0.751   8.234
   97    HA   LYS  13           HA       LYS  13  56.449  -0.769   6.579
   98   1HB   LYS  13           HB2      LYS  13  56.414  -2.907   7.283
   99   2HB   LYS  13           HB1      LYS  13  56.654  -2.276   8.907
  100   1HG   LYS  13           HG2      LYS  13  54.102  -2.050   9.047
  101   2HG   LYS  13           HG1      LYS  13  54.043  -3.035   7.584
  102   1HD   LYS  13           HD2      LYS  13  55.529  -4.707   8.846
  103   2HD   LYS  13           HD1      LYS  13  55.125  -3.795  10.301
  104   1HE   LYS  13           HE2      LYS  13  53.161  -4.909  10.440
  105   2HE   LYS  13           HE1      LYS  13  52.698  -4.284   8.845
  106   1HZ   LYS  13           HZ3      LYS  13  54.714  -6.395   8.934
  107   2HZ   LYS  13           HZ2      LYS  13  53.110  -6.851   9.259
  108   3HZ   LYS  13           HZ1      LYS  13  53.503  -6.106   7.783
  109    H    THR  14           HN       THR  14  54.240   0.217   9.162
  110    HA   THR  14           HA       THR  14  51.890   0.019   7.389
  111    HB   THR  14           HB       THR  14  50.702   0.620   9.398
  112    HG1  THR  14           HG1      THR  14  51.903   1.397  11.212
  113   1HG2  THR  14          HG21      THR  14  51.776  -1.641   9.387
  114   2HG2  THR  14          HG23      THR  14  53.139  -0.955  10.273
  115   3HG2  THR  14          HG22      THR  14  51.537  -0.995  11.011
  116    H    ALA  15           HN       ALA  15  54.380   2.229   8.265
  117    HA   ALA  15           HA       ALA  15  53.224   4.771   8.064
  118   1HB   ALA  15           HB1      ALA  15  55.803   3.483   7.821
  119   2HB   ALA  15           HB3      ALA  15  55.658   4.748   6.601
  120   3HB   ALA  15           HB2      ALA  15  55.451   5.141   8.308
  121    H    GLU  16           HN       GLU  16  54.011   6.117   5.943
  122    HA   GLU  16           HA       GLU  16  53.238   4.688   3.464
  123   1HB   GLU  16           HB2      GLU  16  51.800   7.004   4.790
  124   2HB   GLU  16           HB1      GLU  16  51.622   6.668   3.064
  125   1HG   GLU  16           HG2      GLU  16  50.617   4.567   3.457
  126   2HG   GLU  16           HG1      GLU  16  51.188   4.509   5.125
  127    H    GLU  17           HN       GLU  17  52.931   7.996   3.149
  128    HA   GLU  17           HA       GLU  17  55.625   8.235   1.952
  129   1HB   GLU  17           HB2      GLU  17  53.254  10.135   2.012
  130   2HB   GLU  17           HB1      GLU  17  54.659  10.253   0.951
  131   1HG   GLU  17           HG2      GLU  17  54.008   7.857   0.183
  132   2HG   GLU  17           HG1      GLU  17  52.442   8.213   0.914
  133    H    ARG  18           HN       ARG  18  54.515   8.556   5.004
  134    HA   ARG  18           HA       ARG  18  55.619  11.214   5.591
  135   1HB   ARG  18           HB2      ARG  18  54.846  10.677   7.887
  136   2HB   ARG  18           HB1      ARG  18  53.583  10.412   6.687
  137   1HG   ARG  18           HG2      ARG  18  53.403   8.414   7.807
  138   2HG   ARG  18           HG1      ARG  18  54.678   7.954   6.681
  139   1HD   ARG  18           HD2      ARG  18  55.584   7.299   8.744
  140   2HD   ARG  18           HD1      ARG  18  56.276   8.921   8.540
  141    HE   ARG  18           HE       ARG  18  54.998   9.564  10.410
  142   1HH1  ARG  18          HH11      ARG  18  53.661   6.775   8.897
  143   2HH1  ARG  18          HH12      ARG  18  52.229   6.769   9.870
  144   1HH2  ARG  18          HH21      ARG  18  53.063   9.659  11.593
  145   2HH2  ARG  18          HH22      ARG  18  51.891   8.400  11.396
  146    H    GLU  19           HN       GLU  19  56.523   7.837   6.460
  147    HA   GLU  19           HA       GLU  19  59.059   8.961   7.533
  148   1HB   GLU  19           HB2      GLU  19  57.372   6.791   8.215
  149   2HB   GLU  19           HB1      GLU  19  58.889   6.090   7.639
  150   1HG   GLU  19           HG2      GLU  19  60.017   6.803   9.448
  151   2HG   GLU  19           HG1      GLU  19  59.359   8.431   9.294
  152    H    ILE  20           HN       ILE  20  57.794   6.862   5.001
  153    HA   ILE  20           HA       ILE  20  60.313   6.016   3.982
  154    HB   ILE  20           HB       ILE  20  57.496   5.988   3.307
  155   1HG1  ILE  20          HG12      ILE  20  58.251   3.856   2.211
  156   2HG1  ILE  20          HG11      ILE  20  59.909   4.318   2.597
  157   1HG2  ILE  20          HG23      ILE  20  59.408   6.740   1.133
  158   2HG2  ILE  20          HG22      ILE  20  58.149   5.567   0.766
  159   3HG2  ILE  20          HG21      ILE  20  57.715   7.180   1.331
  160   1HD1  ILE  20          HD11      ILE  20  58.826   4.682   5.016
  161   2HD1  ILE  20          HD13      ILE  20  57.717   3.449   4.419
  162   3HD1  ILE  20          HD12      ILE  20  59.449   3.117   4.498
  163    H    ARG  21           HN       ARG  21  58.661   9.068   3.946
  164    HA   ARG  21           HA       ARG  21  60.242  10.099   1.688
  165   1HB   ARG  21           HB2      ARG  21  58.810  12.028   1.912
  166   2HB   ARG  21           HB1      ARG  21  57.794  10.617   2.197
  167   1HG   ARG  21           HG2      ARG  21  57.792  10.953   4.537
  168   2HG   ARG  21           HG1      ARG  21  59.154  12.070   4.466
  169   1HD   ARG  21           HD2      ARG  21  56.978  13.010   2.784
  170   2HD   ARG  21           HD1      ARG  21  56.439  12.780   4.460
  171    HE   ARG  21           HE       ARG  21  59.052  14.091   4.207
  172   1HH1  ARG  21          HH11      ARG  21  55.651  14.558   4.037
  173   2HH1  ARG  21          HH12      ARG  21  55.690  16.118   4.788
  174   1HH2  ARG  21          HH21      ARG  21  59.113  16.060   5.342
  175   2HH2  ARG  21          HH22      ARG  21  57.650  16.969   5.529
  176    H    LYS  22           HN       LYS  22  60.420  10.038   5.131
  177    HA   LYS  22           HA       LYS  22  62.556  12.120   5.113
  178   1HB   LYS  22           HB2      LYS  22  60.653  12.516   6.623
  179   2HB   LYS  22           HB1      LYS  22  60.842  10.903   7.313
  180   1HG   LYS  22           HG2      LYS  22  63.317  11.766   7.762
  181   2HG   LYS  22           HG1      LYS  22  62.524  13.342   7.709
  182   1HD   LYS  22           HD2      LYS  22  62.575  12.428  10.013
  183   2HD   LYS  22           HD1      LYS  22  60.922  12.611   9.424
  184   1HE   LYS  22           HE2      LYS  22  60.556  10.343   9.353
  185   2HE   LYS  22           HE1      LYS  22  62.228   9.991   8.872
  186   1HZ   LYS  22           HZ2      LYS  22  61.606  11.115  11.532
  187   2HZ   LYS  22           HZ1      LYS  22  61.548   9.438  11.263
  188   3HZ   LYS  22           HZ3      LYS  22  63.000  10.284  11.031
  189    H    ALA  23           HN       ALA  23  61.758   8.785   5.522
  190    HA   ALA  23           HA       ALA  23  64.316   8.093   6.853
  191   1HB   ALA  23           HB2      ALA  23  61.881   7.044   7.035
  192   2HB   ALA  23           HB1      ALA  23  62.408   6.125   5.624
  193   3HB   ALA  23           HB3      ALA  23  63.303   6.011   7.139
  194    H    TYR  24           HN       TYR  24  62.713   7.676   3.692
  195    HA   TYR  24           HA       TYR  24  64.760   6.202   2.370
  196   1HB   TYR  24           HB2      TYR  24  62.534   6.549   1.450
  197   2HB   TYR  24           HB1      TYR  24  62.782   8.292   1.414
  198    HD1  TYR  24           HD1      TYR  24  65.624   6.157   0.607
  199    HD2  TYR  24           HD2      TYR  24  62.260   8.268  -1.034
  200    HE1  TYR  24           HE1      TYR  24  66.621   5.989  -1.658
  201    HE2  TYR  24           HE2      TYR  24  63.258   8.099  -3.297
  202    HH   TYR  24           HH       TYR  24  66.300   7.550  -3.929
  203    H    LYS  25           HN       LYS  25  64.094   9.714   2.295
  204    HA   LYS  25           HA       LYS  25  66.521  10.481   0.989
  205   1HB   LYS  25           HB2      LYS  25  64.247  11.704   1.459
  206   2HB   LYS  25           HB1      LYS  25  65.020  12.187   2.969
  207   1HG   LYS  25           HG2      LYS  25  66.840  13.248   1.772
  208   2HG   LYS  25           HG1      LYS  25  66.241  12.632   0.232
  209   1HD   LYS  25           HD2      LYS  25  64.029  13.936   1.230
  210   2HD   LYS  25           HD1      LYS  25  65.351  14.962   1.790
  211   1HE   LYS  25           HE2      LYS  25  66.078  14.364  -0.834
  212   2HE   LYS  25           HE1      LYS  25  64.323  14.610  -0.926
  213   1HZ   LYS  25           HZ1      LYS  25  65.930  16.424   0.732
  214   2HZ   LYS  25           HZ3      LYS  25  65.933  16.652  -0.948
  215   3HZ   LYS  25           HZ2      LYS  25  64.471  16.721  -0.086
  216    H    ARG  26           HN       ARG  26  65.595  10.443   4.466
  217    HA   ARG  26           HA       ARG  26  67.958  11.493   5.575
  218   1HB   ARG  26           HB2      ARG  26  66.140  10.992   7.004
  219   2HB   ARG  26           HB1      ARG  26  66.019   9.335   6.413
  220   1HG   ARG  26           HG2      ARG  26  68.007   8.678   7.565
  221   2HG   ARG  26           HG1      ARG  26  68.444  10.352   7.908
  222   1HD   ARG  26           HD2      ARG  26  67.341  10.171   9.879
  223   2HD   ARG  26           HD1      ARG  26  65.831   9.966   8.966
  224    HE   ARG  26           HE       ARG  26  66.462   7.496   8.833
  225   1HH1  ARG  26          HH21      ARG  26  68.787   9.023  10.665
  226   2HH1  ARG  26          HH22      ARG  26  68.620   8.013  12.062
  227   1HH2  ARG  26          HH11      ARG  26  65.772   6.415  10.895
  228   2HH2  ARG  26          HH12      ARG  26  66.916   6.533  12.190
  229    H    LEU  27           HN       LEU  27  67.327   8.031   4.858
  230    HA   LEU  27           HA       LEU  27  70.103   7.302   5.415
  231   1HB   LEU  27           HB2      LEU  27  67.555   6.073   5.121
  232   2HB   LEU  27           HB1      LEU  27  68.638   5.327   3.942
  233    HG   LEU  27           HG       LEU  27  68.857   4.096   6.012
  234   1HD1  LEU  27          HD13      LEU  27  70.939   4.919   4.651
  235   2HD1  LEU  27          HD12      LEU  27  71.238   5.936   6.060
  236   3HD1  LEU  27          HD11      LEU  27  71.192   4.181   6.233
  237   1HD2  LEU  27          HD21      LEU  27  68.453   6.700   7.156
  238   2HD2  LEU  27          HD23      LEU  27  68.465   5.138   7.974
  239   3HD2  LEU  27          HD22      LEU  27  69.966   6.043   7.777
  240    H    ALA  28           HN       ALA  28  68.161   7.911   2.494
  241    HA   ALA  28           HA       ALA  28  70.182   6.921   0.660
  242   1HB   ALA  28           HB1      ALA  28  67.692   7.208   0.276
  243   2HB   ALA  28           HB3      ALA  28  67.998   8.943   0.174
  244   3HB   ALA  28           HB2      ALA  28  68.731   7.847  -0.998
  245    H    MET  29           HN       MET  29  69.394  10.010   2.146
  246    HA   MET  29           HA       MET  29  70.858  11.809   0.581
  247   1HB   MET  29           HB2      MET  29  70.302  11.427   3.500
  248   2HB   MET  29           HB1      MET  29  71.364  12.745   2.997
  249   1HG   MET  29           HG2      MET  29  69.048  12.649   1.287
  250   2HG   MET  29           HG1      MET  29  68.539  12.722   2.973
  251   1HE   MET  29           HE3      MET  29  68.147  14.453   0.590
  252   2HE   MET  29           HE2      MET  29  68.517  16.144   0.913
  253   3HE   MET  29           HE1      MET  29  69.654  15.161  -0.005
  254    H    LYS  30           HN       LYS  30  71.930   9.660   3.145
  255    HA   LYS  30           HA       LYS  30  74.697  10.220   3.254
  256   1HB   LYS  30           HB2      LYS  30  72.734   8.193   3.982
  257   2HB   LYS  30           HB1      LYS  30  74.296   7.474   3.584
  258   1HG   LYS  30           HG2      LYS  30  75.365   8.439   5.362
  259   2HG   LYS  30           HG1      LYS  30  74.384   9.903   5.283
  260   1HD   LYS  30           HD2      LYS  30  72.436   8.451   6.119
  261   2HD   LYS  30           HD1      LYS  30  73.655   7.237   6.507
  262   1HE   LYS  30           HE2      LYS  30  74.380   8.396   8.329
  263   2HE   LYS  30           HE1      LYS  30  74.338   9.943   7.461
  264   1HZ   LYS  30           HZ2      LYS  30  71.915   9.910   7.612
  265   2HZ   LYS  30           HZ1      LYS  30  71.978   8.463   8.500
  266   3HZ   LYS  30           HZ3      LYS  30  72.620   9.889   9.158
  267    H    TYR  31           HN       TYR  31  72.769   8.744   0.833
  268    HA   TYR  31           HA       TYR  31  75.177   7.617  -0.544
  269   1HB   TYR  31           HB2      TYR  31  72.278   6.935  -1.068
  270   2HB   TYR  31           HB1      TYR  31  73.712   5.967  -1.425
  271    HD1  TYR  31           HD1      TYR  31  75.147   6.456   1.228
  272    HD2  TYR  31           HD2      TYR  31  71.099   5.359   0.308
  273    HE1  TYR  31           HE1      TYR  31  74.958   5.316   3.424
  274    HE2  TYR  31           HE2      TYR  31  70.906   4.223   2.506
  275    HH   TYR  31           HH       TYR  31  73.642   4.190   4.800
  276    H    HIS  32           HN       HIS  32  72.276   9.607  -0.926
  277    HA   HIS  32           HA       HIS  32  71.721  10.146  -3.452
  278   1HB   HIS  32           HB2      HIS  32  72.179  11.725  -1.076
  279   2HB   HIS  32           HB1      HIS  32  72.539  12.682  -2.517
  280    HD1  HIS  32           HD1      HIS  32  70.580  13.215  -4.121
  281    HD2  HIS  32           HD2      HIS  32  69.453  10.889  -0.850
  282    HE1  HIS  32           HE1      HIS  32  68.048  13.187  -4.100
  283    HA   PRO  33           HA       PRO  33  76.015  10.204  -5.084
  284   1HB   PRO  33           HB2      PRO  33  75.272   9.125  -7.491
  285   2HB   PRO  33           HB1      PRO  33  75.637   8.143  -6.056
  286   1HG   PRO  33           HG2      PRO  33  72.987   9.039  -7.103
  287   2HG   PRO  33           HG1      PRO  33  73.485   7.438  -6.526
  288   1HD   PRO  33           HD2      PRO  33  72.099   9.089  -4.960
  289   2HD   PRO  33           HD1      PRO  33  73.392   8.063  -4.299
  290    H    ASP  34           HN       ASP  34  72.957  11.483  -6.271
  291    HA   ASP  34           HA       ASP  34  73.603  12.897  -8.568
  292   1HB   ASP  34           HB2      ASP  34  71.423  13.140  -7.690
  293   2HB   ASP  34           HB1      ASP  34  72.020  13.557  -6.083
  294    H    ARG  35           HN       ARG  35  74.455  13.689  -5.231
  295    HA   ARG  35           HA       ARG  35  76.349  15.792  -6.157
  296   1HB   ARG  35           HB2      ARG  35  75.974  16.691  -3.965
  297   2HB   ARG  35           HB1      ARG  35  74.386  16.230  -4.561
  298   1HG   ARG  35           HG2      ARG  35  74.887  13.945  -3.395
  299   2HG   ARG  35           HG1      ARG  35  76.112  14.851  -2.505
  300   1HD   ARG  35           HD2      ARG  35  73.770  16.451  -2.457
  301   2HD   ARG  35           HD1      ARG  35  73.261  14.797  -2.060
  302    HE   ARG  35           HE       ARG  35  75.560  15.064  -0.588
  303   1HH1  ARG  35          HH11      ARG  35  72.759  17.044  -1.016
  304   2HH1  ARG  35          HH12      ARG  35  72.823  17.701   0.584
  305   1HH2  ARG  35          HH21      ARG  35  75.636  15.901   1.508
  306   2HH2  ARG  35          HH22      ARG  35  74.447  17.055   2.010
  307    H    ASN  36           HN       ASN  36  75.978  12.657  -4.787
  308    HA   ASN  36           HA       ASN  36  78.762  12.629  -3.699
  309   1HB   ASN  36           HB2      ASN  36  76.290  10.911  -3.250
  310   2HB   ASN  36           HB1      ASN  36  77.844  10.671  -2.445
  311   1HD2  ASN  36          HD22      ASN  36  75.552  12.918  -0.392
  312   2HD2  ASN  36          HD21      ASN  36  75.270  11.427  -1.154
  313    H    GLN  37           HN       GLN  37  79.346  12.342  -6.193
  314    HA   GLN  37           HA       GLN  37  78.690   9.757  -7.369
  315   1HB   GLN  37           HB2      GLN  37  80.464  12.083  -8.002
  316   2HB   GLN  37           HB1      GLN  37  80.689  10.572  -8.882
  317   1HG   GLN  37           HG2      GLN  37  78.770  10.833 -10.053
  318   2HG   GLN  37           HG1      GLN  37  77.873  11.360  -8.629
  319   1HE2  GLN  37          HE22      GLN  37  80.080  14.344 -10.394
  320   2HE2  GLN  37          HE21      GLN  37  80.808  12.843 -10.083
  321    H    GLY  38           HN       GLY  38  80.507  10.366  -4.727
  322   1HA   GLY  38           HA2      GLY  38  82.748   8.556  -5.410
  323   2HA   GLY  38           HA1      GLY  38  82.537   9.405  -3.872
  324    H    ASP  39           HN       ASP  39  79.676   8.027  -5.044
  325    HA   ASP  39           HA       ASP  39  79.995   5.430  -3.644
  326   1HB   ASP  39           HB2      ASP  39  78.684   7.868  -2.659
  327   2HB   ASP  39           HB1      ASP  39  77.628   6.454  -2.629
  328    H    LYS  40           HN       LYS  40  79.278   6.756  -6.352
  329    HA   LYS  40           HA       LYS  40  76.656   6.511  -7.162
  330   1HB   LYS  40           HB2      LYS  40  79.054   5.482  -8.632
  331   2HB   LYS  40           HB1      LYS  40  77.575   6.087  -9.357
  332   1HG   LYS  40           HG2      LYS  40  77.998   8.284  -8.277
  333   2HG   LYS  40           HG1      LYS  40  79.537   7.667  -7.696
  334   1HD   LYS  40           HD2      LYS  40  79.168   7.203 -10.553
  335   2HD   LYS  40           HD1      LYS  40  79.148   8.917 -10.131
  336   1HE   LYS  40           HE2      LYS  40  81.321   8.871  -9.276
  337   2HE   LYS  40           HE1      LYS  40  81.257   7.130  -8.945
  338   1HZ   LYS  40           HZ3      LYS  40  80.992   6.842 -11.418
  339   2HZ   LYS  40           HZ2      LYS  40  81.433   8.475 -11.583
  340   3HZ   LYS  40           HZ1      LYS  40  82.524   7.360 -10.909
  341    H    GLU  41           HN       GLU  41  78.787   3.938  -6.195
  342    HA   GLU  41           HA       GLU  41  77.320   1.726  -7.345
  343   1HB   GLU  41           HB2      GLU  41  79.697   1.902  -6.265
  344   2HB   GLU  41           HB1      GLU  41  78.844   1.661  -4.739
  345   1HG   GLU  41           HG2      GLU  41  78.107  -0.205  -6.922
  346   2HG   GLU  41           HG1      GLU  41  79.741  -0.385  -6.284
  347    H    ALA  42           HN       ALA  42  76.504   3.965  -4.945
  348    HA   ALA  42           HA       ALA  42  74.894   2.230  -3.242
  349   1HB   ALA  42           HB1      ALA  42  75.966   4.532  -2.739
  350   2HB   ALA  42           HB3      ALA  42  74.631   5.217  -3.665
  351   3HB   ALA  42           HB2      ALA  42  74.305   4.298  -2.195
  352    H    GLU  43           HN       GLU  43  74.624   3.670  -6.333
  353    HA   GLU  43           HA       GLU  43  71.978   4.314  -6.756
  354   1HB   GLU  43           HB2      GLU  43  73.679   4.375  -8.470
  355   2HB   GLU  43           HB1      GLU  43  73.926   2.632  -8.356
  356   1HG   GLU  43           HG2      GLU  43  71.153   3.530  -8.950
  357   2HG   GLU  43           HG1      GLU  43  72.341   3.759 -10.234
  358    H    ALA  44           HN       ALA  44  73.376   1.109  -6.222
  359    HA   ALA  44           HA       ALA  44  70.988  -0.427  -6.851
  360   1HB   ALA  44           HB1      ALA  44  73.664  -0.784  -5.625
  361   2HB   ALA  44           HB3      ALA  44  72.435  -1.910  -5.048
  362   3HB   ALA  44           HB2      ALA  44  72.808  -1.819  -6.769
  363    H    LYS  45           HN       LYS  45  72.250   1.122  -3.888
  364    HA   LYS  45           HA       LYS  45  70.545  -0.001  -1.971
  365   1HB   LYS  45           HB2      LYS  45  72.201   2.299  -2.270
  366   2HB   LYS  45           HB1      LYS  45  70.658   2.844  -1.598
  367   1HG   LYS  45           HG2      LYS  45  71.266   2.023   0.401
  368   2HG   LYS  45           HG1      LYS  45  71.311   0.405  -0.305
  369   1HD   LYS  45           HD2      LYS  45  73.638   1.859  -1.146
  370   2HD   LYS  45           HD1      LYS  45  73.507   1.949   0.611
  371   1HE   LYS  45           HE2      LYS  45  72.876  -0.693   0.141
  372   2HE   LYS  45           HE1      LYS  45  74.109  -0.377  -1.095
  373   1HZ   LYS  45           HZ2      LYS  45  74.563   0.753   1.558
  374   2HZ   LYS  45           HZ1      LYS  45  74.747  -0.929   1.409
  375   3HZ   LYS  45           HZ3      LYS  45  75.679   0.112   0.448
  376    H    PHE  46           HN       PHE  46  69.790   2.153  -4.639
  377    HA   PHE  46           HA       PHE  46  67.221   3.087  -3.766
  378   1HB   PHE  46           HB2      PHE  46  68.272   2.338  -6.528
  379   2HB   PHE  46           HB1      PHE  46  66.833   3.314  -6.234
  380    HD1  PHE  46           HD1      PHE  46  68.115   4.697  -3.703
  381    HD2  PHE  46           HD2      PHE  46  69.402   4.131  -7.763
  382    HE1  PHE  46           HE1      PHE  46  69.527   6.727  -3.538
  383    HE2  PHE  46           HE2      PHE  46  70.815   6.162  -7.597
  384    HZ   PHE  46           HZ       PHE  46  70.878   7.459  -5.485
  385    H    LYS  47           HN       LYS  47  68.353   0.040  -5.064
  386    HA   LYS  47           HA       LYS  47  65.749  -1.108  -5.443
  387   1HB   LYS  47           HB2      LYS  47  67.021  -2.907  -6.291
  388   2HB   LYS  47           HB1      LYS  47  68.151  -1.579  -6.507
  389   1HG   LYS  47           HG2      LYS  47  69.623  -2.492  -5.082
  390   2HG   LYS  47           HG1      LYS  47  68.394  -2.795  -3.858
  391   1HD   LYS  47           HD2      LYS  47  68.582  -4.974  -4.388
  392   2HD   LYS  47           HD1      LYS  47  67.761  -4.572  -5.898
  393   1HE   LYS  47           HE2      LYS  47  69.713  -4.597  -7.129
  394   2HE   LYS  47           HE1      LYS  47  70.704  -4.060  -5.758
  395   1HZ   LYS  47           HZ2      LYS  47  70.175  -6.239  -4.693
  396   2HZ   LYS  47           HZ1      LYS  47  69.502  -6.743  -6.169
  397   3HZ   LYS  47           HZ3      LYS  47  71.152  -6.360  -6.079
  398    H    GLU  48           HN       GLU  48  67.783  -0.408  -2.825
  399    HA   GLU  48           HA       GLU  48  66.699  -2.538  -1.131
  400   1HB   GLU  48           HB2      GLU  48  68.684  -0.288  -0.672
  401   2HB   GLU  48           HB1      GLU  48  68.272  -1.498   0.546
  402   1HG   GLU  48           HG2      GLU  48  69.208  -2.338  -2.189
  403   2HG   GLU  48           HG1      GLU  48  70.373  -1.907  -0.938
  404    H    ILE  49           HN       ILE  49  66.459   0.924  -1.682
  405    HA   ILE  49           HA       ILE  49  64.363   1.062   0.444
  406    HB   ILE  49           HB       ILE  49  65.994   3.183  -0.978
  407   1HG1  ILE  49          HG12      ILE  49  66.539   3.235   1.748
  408   2HG1  ILE  49          HG11      ILE  49  66.465   1.513   1.366
  409   1HG2  ILE  49          HG21      ILE  49  63.748   3.257   0.991
  410   2HG2  ILE  49          HG23      ILE  49  65.021   4.471   1.117
  411   3HG2  ILE  49          HG22      ILE  49  64.084   4.327  -0.370
  412   1HD1  ILE  49          HD13      ILE  49  67.902   3.274  -0.547
  413   2HD1  ILE  49          HD12      ILE  49  68.694   2.929   0.991
  414   3HD1  ILE  49          HD11      ILE  49  68.237   1.607  -0.083
  415    H    LYS  50           HN       LYS  50  65.126   2.194  -2.883
  416    HA   LYS  50           HA       LYS  50  62.436   3.139  -3.274
  417   1HB   LYS  50           HB2      LYS  50  64.853   3.443  -4.517
  418   2HB   LYS  50           HB1      LYS  50  64.059   2.326  -5.627
  419   1HG   LYS  50           HG2      LYS  50  62.038   4.101  -5.145
  420   2HG   LYS  50           HG1      LYS  50  63.446   5.159  -5.050
  421   1HD   LYS  50           HD2      LYS  50  63.721   3.343  -7.283
  422   2HD   LYS  50           HD1      LYS  50  62.190   4.212  -7.392
  423   1HE   LYS  50           HE2      LYS  50  63.399   5.938  -8.250
  424   2HE   LYS  50           HE1      LYS  50  64.028   6.173  -6.606
  425   1HZ   LYS  50           HZ2      LYS  50  65.163   4.056  -8.302
  426   2HZ   LYS  50           HZ1      LYS  50  65.668   5.660  -8.541
  427   3HZ   LYS  50           HZ3      LYS  50  65.889   4.920  -7.031
  428    H    GLU  51           HN       GLU  51  64.005   0.016  -3.547
  429    HA   GLU  51           HA       GLU  51  61.754  -1.089  -5.141
  430   1HB   GLU  51           HB2      GLU  51  63.661  -2.163  -5.808
  431   2HB   GLU  51           HB1      GLU  51  64.494  -1.676  -4.356
  432   1HG   GLU  51           HG2      GLU  51  64.404  -4.051  -4.238
  433   2HG   GLU  51           HG1      GLU  51  63.157  -3.491  -3.128
  434    H    ALA  52           HN       ALA  52  63.120  -1.106  -1.892
  435    HA   ALA  52           HA       ALA  52  61.120  -2.968  -0.795
  436   1HB   ALA  52           HB1      ALA  52  63.670  -2.431  -0.211
  437   2HB   ALA  52           HB3      ALA  52  62.935  -1.211   0.829
  438   3HB   ALA  52           HB2      ALA  52  62.544  -2.916   1.055
  439    H    TYR  53           HN       TYR  53  62.010   0.455  -0.344
  440    HA   TYR  53           HA       TYR  53  59.652   1.097   1.222
  441   1HB   TYR  53           HB2      TYR  53  61.026   2.802   1.725
  442   2HB   TYR  53           HB1      TYR  53  62.201   2.122   0.628
  443    HD1  TYR  53           HD2      TYR  53  60.957   2.694  -2.032
  444    HD2  TYR  53           HD1      TYR  53  61.200   5.085   1.522
  445    HE1  TYR  53           HE2      TYR  53  60.879   4.751  -3.406
  446    HE2  TYR  53           HE1      TYR  53  61.126   7.138   0.150
  447    HH   TYR  53           HH       TYR  53  60.299   7.818  -2.096
  448    H    GLU  54           HN       GLU  54  59.868   0.325  -1.964
  449    HA   GLU  54           HA       GLU  54  58.264   2.433  -3.172
  450   1HB   GLU  54           HB2      GLU  54  59.255   1.332  -4.898
  451   2HB   GLU  54           HB1      GLU  54  59.629  -0.051  -3.875
  452   1HG   GLU  54           HG2      GLU  54  57.626  -1.146  -4.400
  453   2HG   GLU  54           HG1      GLU  54  56.816   0.350  -4.868
  454    H    VAL  55           HN       VAL  55  57.629  -0.322  -1.194
  455    HA   VAL  55           HA       VAL  55  54.740  -0.226  -1.910
  456    HB   VAL  55           HB       VAL  55  55.293  -2.452  -2.158
  457   1HG1  VAL  55          HG11      VAL  55  57.500  -1.824  -0.260
  458   2HG1  VAL  55          HG13      VAL  55  56.981  -3.495  -0.412
  459   3HG1  VAL  55          HG12      VAL  55  57.559  -2.625  -1.831
  460   1HG2  VAL  55          HG21      VAL  55  53.813  -1.992   0.024
  461   2HG2  VAL  55          HG23      VAL  55  54.291  -3.623  -0.446
  462   3HG2  VAL  55          HG22      VAL  55  55.191  -2.767   0.804
  463    H    LEU  56           HN       LEU  56  57.009   0.239   0.666
  464    HA   LEU  56           HA       LEU  56  55.235   0.196   2.897
  465   1HB   LEU  56           HB2      LEU  56  57.899   0.837   2.184
  466   2HB   LEU  56           HB1      LEU  56  57.273   2.204   3.114
  467    HG   LEU  56           HG       LEU  56  56.518   0.654   4.889
  468   1HD1  LEU  56          HD12      LEU  56  56.987  -1.279   2.818
  469   2HD1  LEU  56          HD11      LEU  56  57.987  -1.685   4.212
  470   3HD1  LEU  56          HD13      LEU  56  56.240  -1.521   4.397
  471   1HD2  LEU  56          HD23      LEU  56  59.426   0.446   4.059
  472   2HD2  LEU  56          HD22      LEU  56  58.714   1.585   5.202
  473   3HD2  LEU  56          HD21      LEU  56  58.821  -0.123   5.615
  474    H    THR  57           HN       THR  57  55.458   2.340   0.231
  475    HA   THR  57           HA       THR  57  53.966   4.489   1.691
  476    HB   THR  57           HB       THR  57  55.273   5.878   0.458
  477    HG1  THR  57           HG1      THR  57  53.579   5.654  -1.092
  478   1HG2  THR  57          HG22      THR  57  56.863   3.870   0.472
  479   2HG2  THR  57          HG21      THR  57  56.309   3.551  -1.172
  480   3HG2  THR  57          HG23      THR  57  57.131   5.065  -0.798
  481    H    ASP  58           HN       ASP  58  53.107   1.759   0.471
  482    HA   ASP  58           HA       ASP  58  50.657   2.808  -0.855
  483   1HB   ASP  58           HB2      ASP  58  52.532   2.247  -2.498
  484   2HB   ASP  58           HB1      ASP  58  52.362   0.565  -1.977
  485    H    SER  59           HN       SER  59  48.951   1.089  -0.926
  486    HA   SER  59           HA       SER  59  49.318  -0.886   1.298
  487   1HB   SER  59           HB2      SER  59  47.227   0.970   0.423
  488   2HB   SER  59           HB1      SER  59  46.608  -0.654   0.710
  489    HG   SER  59           HG       SER  59  47.101   1.136   2.506
  490    H    GLN  60           HN       GLN  60  48.888  -0.572  -2.090
  491    HA   GLN  60           HA       GLN  60  47.596  -3.189  -2.483
  492   1HB   GLN  60           HB2      GLN  60  47.740  -2.540  -4.823
  493   2HB   GLN  60           HB1      GLN  60  47.250  -1.124  -3.888
  494   1HG   GLN  60           HG2      GLN  60  49.881  -0.774  -3.719
  495   2HG   GLN  60           HG1      GLN  60  49.862  -1.713  -5.211
  496   1HE2  GLN  60          HE22      GLN  60  47.860   1.893  -5.235
  497   2HE2  GLN  60          HE21      GLN  60  47.903   0.986  -3.800
  498    H    LYS  61           HN       LYS  61  50.850  -1.874  -2.354
  499    HA   LYS  61           HA       LYS  61  52.051  -4.216  -3.676
  500   1HB   LYS  61           HB2      LYS  61  53.398  -1.998  -2.110
  501   2HB   LYS  61           HB1      LYS  61  54.065  -2.952  -3.436
  502   1HG   LYS  61           HG2      LYS  61  52.509  -1.910  -5.012
  503   2HG   LYS  61           HG1      LYS  61  51.765  -0.993  -3.702
  504   1HD   LYS  61           HD2      LYS  61  53.532   0.466  -3.530
  505   2HD   LYS  61           HD1      LYS  61  54.718  -0.753  -4.001
  506   1HE   LYS  61           HE2      LYS  61  54.410  -0.376  -6.266
  507   2HE   LYS  61           HE1      LYS  61  52.719   0.122  -6.057
  508   1HZ   LYS  61           HZ3      LYS  61  54.964   1.681  -4.919
  509   2HZ   LYS  61           HZ2      LYS  61  54.394   1.961  -6.495
  510   3HZ   LYS  61           HZ1      LYS  61  53.359   2.175  -5.164
  511    H    ARG  62           HN       ARG  62  51.544  -2.781  -0.509
  512    HA   ARG  62           HA       ARG  62  53.115  -4.374   1.172
  513   1HB   ARG  62           HB2      ARG  62  50.256  -3.377   1.449
  514   2HB   ARG  62           HB1      ARG  62  51.257  -3.916   2.799
  515   1HG   ARG  62           HG2      ARG  62  52.142  -1.731   0.909
  516   2HG   ARG  62           HG1      ARG  62  51.209  -1.393   2.365
  517   1HD   ARG  62           HD2      ARG  62  53.608  -3.142   2.687
  518   2HD   ARG  62           HD1      ARG  62  53.895  -1.413   2.400
  519    HE   ARG  62           HE       ARG  62  52.933  -2.476   4.853
  520   1HH1  ARG  62          HH11      ARG  62  53.025   0.296   2.915
  521   2HH1  ARG  62          HH12      ARG  62  51.891   1.197   3.867
  522   1HH2  ARG  62          HH21      ARG  62  51.090  -1.477   5.923
  523   2HH2  ARG  62          HH22      ARG  62  50.797   0.193   5.571
  524    H    ALA  63           HN       ALA  63  49.718  -5.031   0.200
  525    HA   ALA  63           HA       ALA  63  49.441  -7.617   1.218
  526   1HB   ALA  63           HB3      ALA  63  47.829  -6.078  -0.108
  527   2HB   ALA  63           HB2      ALA  63  48.544  -6.790  -1.554
  528   3HB   ALA  63           HB1      ALA  63  47.688  -7.811  -0.400
  529    H    ALA  64           HN       ALA  64  51.318  -6.488  -1.506
  530    HA   ALA  64           HA       ALA  64  51.939  -9.204  -2.493
  531   1HB   ALA  64           HB2      ALA  64  52.131  -6.406  -3.332
  532   2HB   ALA  64           HB1      ALA  64  53.617  -7.290  -3.670
  533   3HB   ALA  64           HB3      ALA  64  52.083  -7.858  -4.331
  534    H    TYR  65           HN       TYR  65  53.763  -6.419  -1.293
  535    HA   TYR  65           HA       TYR  65  56.237  -7.839  -0.932
  536   1HB   TYR  65           HB2      TYR  65  55.132  -5.217  -0.865
  537   2HB   TYR  65           HB1      TYR  65  56.015  -5.455   0.640
  538    HD1  TYR  65           HD1      TYR  65  58.350  -6.699   0.381
  539    HD2  TYR  65           HD2      TYR  65  56.336  -4.574  -2.761
  540    HE1  TYR  65           HE1      TYR  65  60.499  -6.462  -0.835
  541    HE2  TYR  65           HE2      TYR  65  58.486  -4.335  -3.978
  542    HH   TYR  65           HH       TYR  65  60.759  -5.747  -3.981
  543    H    ASP  66           HN       ASP  66  53.496  -7.124   1.213
  544    HA   ASP  66           HA       ASP  66  54.802  -7.623   3.677
  545   1HB   ASP  66           HB2      ASP  66  52.616  -7.667   4.546
  546   2HB   ASP  66           HB1      ASP  66  52.400  -6.764   3.050
  547    H    GLN  67           HN       GLN  67  53.798  -9.757   1.117
  548    HA   GLN  67           HA       GLN  67  54.216 -12.165   2.836
  549   1HB   GLN  67           HB2      GLN  67  53.363 -12.149  -0.055
  550   2HB   GLN  67           HB1      GLN  67  52.938 -13.297   1.214
  551   1HG   GLN  67           HG2      GLN  67  51.829 -11.172   2.331
  552   2HG   GLN  67           HG1      GLN  67  51.819 -10.572   0.674
  553   1HE2  GLN  67          HE22      GLN  67  48.661 -12.287   0.606
  554   2HE2  GLN  67          HE21      GLN  67  49.373 -10.769   0.871
  555    H    TYR  68           HN       TYR  68  55.668 -10.284   0.290
  556    HA   TYR  68           HA       TYR  68  57.593 -12.448  -0.388
  557   1HB   TYR  68           HB2      TYR  68  56.456 -10.055  -1.618
  558   2HB   TYR  68           HB1      TYR  68  58.212 -10.123  -1.800
  559    HD1  TYR  68           HD1      TYR  68  56.066 -13.116  -1.445
  560    HD2  TYR  68           HD2      TYR  68  58.246 -10.608  -4.169
  561    HE1  TYR  68           HE1      TYR  68  55.807 -14.822  -3.226
  562    HE2  TYR  68           HE2      TYR  68  57.988 -12.315  -5.948
  563    HH   TYR  68           HH       TYR  68  55.956 -14.407  -6.206
  564    H    GLY  69           HN       GLY  69  57.415 -10.460   2.131
  565   1HA   GLY  69           HA2      GLY  69  59.901  -8.993   2.033
  566   2HA   GLY  69           HA1      GLY  69  58.986  -9.361   3.498
  567    H    HIS  70           HN       HIS  70  60.802 -11.238   1.039
  568    HA   HIS  70           HA       HIS  70  62.663 -12.266   3.015
  569   1HB   HIS  70           HB2      HIS  70  60.463 -13.398   3.519
  570   2HB   HIS  70           HB1      HIS  70  60.537 -14.120   1.905
  571    HD1  HIS  70           HD1      HIS  70  63.905 -13.895   3.066
  572    HD2  HIS  70           HD2      HIS  70  60.754 -16.516   3.827
  573    HE1  HIS  70           HE1      HIS  70  64.940 -16.002   4.016
  574    H    ALA  71           HN       ALA  71  62.000 -14.776   0.927
  575    HA   ALA  71           HA       ALA  71  64.278 -14.069  -0.797
  576   1HB   ALA  71           HB3      ALA  71  62.808 -16.407   0.126
  577   2HB   ALA  71           HB2      ALA  71  63.087 -16.472  -1.614
  578   3HB   ALA  71           HB1      ALA  71  64.451 -16.309  -0.506
  579    H    ALA  72           HN       ALA  72  61.792 -12.486  -1.048
  580    HA   ALA  72           HA       ALA  72  59.982 -13.096  -3.018
  581   1HB   ALA  72           HB3      ALA  72  61.605 -10.600  -2.497
  582   2HB   ALA  72           HB2      ALA  72  60.299 -10.621  -3.681
  583   3HB   ALA  72           HB1      ALA  72  59.956 -10.952  -1.983
  584    H    PHE  73           HN       PHE  73  63.333 -11.982  -3.642
  585    HA   PHE  73           HA       PHE  73  62.999 -12.842  -6.495
  586   1HB   PHE  73           HB2      PHE  73  64.098 -10.538  -5.127
  587   2HB   PHE  73           HB1      PHE  73  65.327 -11.286  -6.147
  588    HD1  PHE  73           HD2      PHE  73  61.681 -11.445  -6.780
  589    HD2  PHE  73           HD1      PHE  73  65.407  -9.612  -7.877
  590    HE1  PHE  73           HE2      PHE  73  60.608 -10.470  -8.793
  591    HE2  PHE  73           HE1      PHE  73  64.335  -8.638  -9.889
  592    HZ   PHE  73           HZ       PHE  73  61.936  -9.066 -10.347
  593    H    GLU  74           HN       GLU  74  64.957 -13.218  -3.583
  594    HA   GLU  74           HA       GLU  74  66.556 -14.886  -3.057
  595   1HB   GLU  74           HB2      GLU  74  64.807 -15.944  -4.986
  596   2HB   GLU  74           HB1      GLU  74  66.424 -16.318  -5.586
  597   1HG   GLU  74           HG2      GLU  74  66.985 -17.562  -3.677
  598   2HG   GLU  74           HG1      GLU  74  65.732 -16.800  -2.697
  599    H    GLN  75           HN       GLN  75  66.744 -14.322  -6.599
  600    HA   GLN  75           HA       GLN  75  68.591 -13.689  -7.937
  601   1HB   GLN  75           HB2      GLN  75  68.315 -11.642  -6.668
  602   2HB   GLN  75           HB1      GLN  75  69.152 -12.337  -5.280
  603   1HG   GLN  75           HG2      GLN  75  71.136 -11.685  -6.111
  604   2HG   GLN  75           HG1      GLN  75  70.832 -12.586  -7.597
  605   1HE2  GLN  75          HE22      GLN  75  69.038  -9.532  -8.912
  606   2HE2  GLN  75          HE21      GLN  75  68.514 -11.089  -8.490
  607    H    GLY  76           HN       GLY  76  69.080 -16.182  -7.513
  608   1HA   GLY  76           HA2      GLY  76  71.195 -17.411  -7.665
  609   2HA   GLY  76           HA1      GLY  76  71.866 -16.315  -6.455
  610    H    GLY  77           HN       GLY  77  69.780 -19.098  -6.951
  611   1HA   GLY  77           HA2      GLY  77  70.384 -20.470  -4.637
  612   2HA   GLY  77           HA1      GLY  77  69.104 -19.369  -4.127
   
  No H/Q in entry =         612
  Start of MODEL    7
    1   1H    ALA   1           HT3      ALA   1  66.790 -11.393   6.834
    2   2H    ALA   1           HT2      ALA   1  68.327 -12.101   6.682
    3   3H    ALA   1           HT1      ALA   1  67.263 -12.080   5.357
    4    HA   ALA   1           HA       ALA   1  66.976 -14.234   6.081
    5   1HB   ALA   1           HB2      ALA   1  67.672 -12.900   8.679
    6   2HB   ALA   1           HB1      ALA   1  66.881 -14.477   8.713
    7   3HB   ALA   1           HB3      ALA   1  68.434 -14.287   7.900
    8    H    LYS   2           HN       LYS   2  65.514 -12.014   8.502
    9    HA   LYS   2           HA       LYS   2  62.829 -12.564   7.364
   10   1HB   LYS   2           HB2      LYS   2  63.949 -13.585   9.941
   11   2HB   LYS   2           HB1      LYS   2  62.259 -13.080   9.930
   12   1HG   LYS   2           HG2      LYS   2  61.806 -15.138   9.105
   13   2HG   LYS   2           HG1      LYS   2  62.487 -14.547   7.589
   14   1HD   LYS   2           HD2      LYS   2  63.757 -16.474   7.971
   15   2HD   LYS   2           HD1      LYS   2  64.781 -15.218   8.668
   16   1HE   LYS   2           HE2      LYS   2  63.560 -15.708  10.896
   17   2HE   LYS   2           HE1      LYS   2  63.011 -17.202  10.109
   18   1HZ   LYS   2           HZ2      LYS   2  65.374 -17.580   9.466
   19   2HZ   LYS   2           HZ1      LYS   2  65.812 -16.285  10.475
   20   3HZ   LYS   2           HZ3      LYS   2  65.092 -17.669  11.139
   21    H    GLN   3           HN       GLN   3  64.203 -10.120   7.364
   22    HA   GLN   3           HA       GLN   3  62.824  -8.565   9.532
   23   1HB   GLN   3           HB2      GLN   3  65.372  -8.077   7.954
   24   2HB   GLN   3           HB1      GLN   3  64.677  -6.914   9.084
   25   1HG   GLN   3           HG2      GLN   3  65.364  -8.085  10.910
   26   2HG   GLN   3           HG1      GLN   3  64.983  -9.641  10.170
   27   1HE2  GLN   3          HE22      GLN   3  68.770  -8.948  10.440
   28   2HE2  GLN   3          HE21      GLN   3  67.537  -8.624  11.560
   29    H    ASP   4           HN       ASP   4  60.966  -7.835   8.598
   30    HA   ASP   4           HA       ASP   4  60.261  -7.394   5.971
   31   1HB   ASP   4           HB2      ASP   4  59.070  -7.048   8.267
   32   2HB   ASP   4           HB1      ASP   4  59.640  -5.385   8.129
   33    H    TYR   5           HN       TYR   5  60.101  -5.261   4.764
   34    HA   TYR   5           HA       TYR   5  62.668  -3.755   5.038
   35   1HB   TYR   5           HB2      TYR   5  61.230  -3.166   2.613
   36   2HB   TYR   5           HB1      TYR   5  62.794  -3.962   2.796
   37    HD1  TYR   5           HD1      TYR   5  62.549  -6.488   3.762
   38    HD2  TYR   5           HD2      TYR   5  59.583  -4.361   1.499
   39    HE1  TYR   5           HE1      TYR   5  61.538  -8.640   3.068
   40    HE2  TYR   5           HE2      TYR   5  58.571  -6.512   0.806
   41    HH   TYR   5           HH       TYR   5  58.755  -8.732   0.851
   42    H    TYR   6           HN       TYR   6  59.740  -3.402   6.256
   43    HA   TYR   6           HA       TYR   6  59.076  -0.682   5.381
   44   1HB   TYR   6           HB2      TYR   6  57.104  -1.242   6.341
   45   2HB   TYR   6           HB1      TYR   6  57.785  -2.844   6.590
   46    HD1  TYR   6           HD1      TYR   6  58.117   0.549   8.209
   47    HD2  TYR   6           HD2      TYR   6  57.535  -3.672   8.732
   48    HE1  TYR   6           HE1      TYR   6  57.991   0.862  10.655
   49    HE2  TYR   6           HE2      TYR   6  57.404  -3.346  11.184
   50    HH   TYR   6           HH       TYR   6  58.123  -1.748  12.863
   51    H    GLU   7           HN       GLU   7  60.599  -2.278   8.142
   52    HA   GLU   7           HA       GLU   7  61.111   0.235   9.539
   53   1HB   GLU   7           HB2      GLU   7  61.191  -2.604   9.995
   54   2HB   GLU   7           HB1      GLU   7  62.746  -1.912  10.459
   55   1HG   GLU   7           HG2      GLU   7  60.118  -0.703  11.337
   56   2HG   GLU   7           HG1      GLU   7  60.946  -1.942  12.278
   57    H    ILE   8           HN       ILE   8  62.833  -1.920   7.334
   58    HA   ILE   8           HA       ILE   8  65.494  -1.176   7.641
   59    HB   ILE   8           HB       ILE   8  63.701  -2.128   5.521
   60   1HG1  ILE   8          HG12      ILE   8  65.786  -3.495   5.021
   61   2HG1  ILE   8          HG11      ILE   8  66.568  -2.633   6.346
   62   1HG2  ILE   8          HG22      ILE   8  66.112  -0.460   4.763
   63   2HG2  ILE   8          HG21      ILE   8  65.422  -1.678   3.691
   64   3HG2  ILE   8          HG23      ILE   8  64.456  -0.288   4.183
   65   1HD1  ILE   8          HD11      ILE   8  64.057  -3.496   7.330
   66   2HD1  ILE   8          HD13      ILE   8  64.760  -4.871   6.478
   67   3HD1  ILE   8          HD12      ILE   8  65.652  -4.094   7.787
   68    H    LEU   9           HN       LEU   9  62.800   0.755   6.460
   69    HA   LEU   9           HA       LEU   9  64.662   2.972   5.721
   70   1HB   LEU   9           HB2      LEU   9  61.651   2.835   5.425
   71   2HB   LEU   9           HB1      LEU   9  62.788   3.816   4.499
   72    HG   LEU   9           HG       LEU   9  62.986   0.809   4.445
   73   1HD1  LEU   9          HD11      LEU   9  60.923   2.542   3.199
   74   2HD1  LEU   9          HD13      LEU   9  61.664   1.324   2.160
   75   3HD1  LEU   9          HD12      LEU   9  60.845   0.837   3.643
   76   1HD2  LEU   9          HD21      LEU   9  64.381   2.993   3.292
   77   2HD2  LEU   9          HD23      LEU   9  64.612   1.276   2.957
   78   3HD2  LEU   9          HD22      LEU   9  63.483   2.220   1.985
   79    H    GLY  10           HN       GLY  10  63.981   2.108   8.572
   80   1HA   GLY  10           HA2      GLY  10  63.229   3.085  10.588
   81   2HA   GLY  10           HA1      GLY  10  63.887   4.566   9.883
   82    H    VAL  11           HN       VAL  11  60.974   2.512   9.848
   83    HA   VAL  11           HA       VAL  11  59.302   4.981   9.683
   84    HB   VAL  11           HB       VAL  11  58.791   2.600   7.893
   85   1HG1  VAL  11          HG13      VAL  11  57.603   5.158   8.344
   86   2HG1  VAL  11          HG12      VAL  11  58.257   5.131   6.706
   87   3HG1  VAL  11          HG11      VAL  11  57.099   3.901   7.214
   88   1HG2  VAL  11          HG23      VAL  11  60.755   4.850   7.476
   89   2HG2  VAL  11          HG22      VAL  11  61.006   3.120   7.235
   90   3HG2  VAL  11          HG21      VAL  11  59.997   4.032   6.111
   91    H    SER  12           HN       SER  12  56.880   3.514   9.241
   92    HA   SER  12           HA       SER  12  56.709   1.764  11.656
   93   1HB   SER  12           HB2      SER  12  55.234   4.186  10.786
   94   2HB   SER  12           HB1      SER  12  54.242   2.889  11.445
   95    HG   SER  12           HG       SER  12  54.910   4.124  13.155
   96    H    LYS  13           HN       LYS  13  56.365   2.013   8.323
   97    HA   LYS  13           HA       LYS  13  55.604   0.427   6.762
   98   1HB   LYS  13           HB2      LYS  13  55.527  -1.663   7.590
   99   2HB   LYS  13           HB1      LYS  13  55.775  -0.945   9.175
  100   1HG   LYS  13           HG2      LYS  13  53.303  -0.757   9.458
  101   2HG   LYS  13           HG1      LYS  13  53.086  -1.545   7.898
  102   1HD   LYS  13           HD2      LYS  13  53.892  -3.601   8.675
  103   2HD   LYS  13           HD1      LYS  13  54.765  -2.860  10.015
  104   1HE   LYS  13           HE2      LYS  13  52.983  -3.179  11.368
  105   2HE   LYS  13           HE1      LYS  13  51.960  -2.242  10.264
  106   1HZ   LYS  13           HZ1      LYS  13  51.849  -4.235   8.826
  107   2HZ   LYS  13           HZ3      LYS  13  52.668  -5.118  10.021
  108   3HZ   LYS  13           HZ2      LYS  13  51.128  -4.476  10.346
  109    H    THR  14           HN       THR  14  53.374   1.508   9.314
  110    HA   THR  14           HA       THR  14  51.077   1.390   7.455
  111    HB   THR  14           HB       THR  14  49.829   2.003   9.430
  112    HG1  THR  14           HG1      THR  14  50.717   3.044  11.080
  113   1HG2  THR  14          HG23      THR  14  50.922  -0.294   9.367
  114   2HG2  THR  14          HG22      THR  14  52.142   0.355  10.465
  115   3HG2  THR  14          HG21      THR  14  50.453   0.283  10.966
  116    H    ALA  15           HN       ALA  15  53.704   3.317   7.768
  117    HA   ALA  15           HA       ALA  15  52.661   5.992   7.871
  118   1HB   ALA  15           HB1      ALA  15  55.148   4.607   7.612
  119   2HB   ALA  15           HB3      ALA  15  55.038   5.733   6.259
  120   3HB   ALA  15           HB2      ALA  15  54.909   6.327   7.913
  121    H    GLU  16           HN       GLU  16  53.879   7.051   5.572
  122    HA   GLU  16           HA       GLU  16  52.592   5.817   3.226
  123   1HB   GLU  16           HB2      GLU  16  51.888   8.550   4.358
  124   2HB   GLU  16           HB1      GLU  16  51.336   7.942   2.793
  125   1HG   GLU  16           HG2      GLU  16  50.425   5.918   4.110
  126   2HG   GLU  16           HG1      GLU  16  50.646   6.916   5.547
  127    H    GLU  17           HN       GLU  17  52.917   8.880   2.372
  128    HA   GLU  17           HA       GLU  17  55.662   8.521   1.343
  129   1HB   GLU  17           HB2      GLU  17  53.237   9.638   0.447
  130   2HB   GLU  17           HB1      GLU  17  54.323  11.009   0.675
  131   1HG   GLU  17           HG2      GLU  17  55.888  10.192  -0.867
  132   2HG   GLU  17           HG1      GLU  17  55.292   8.537  -0.740
  133    H    ARG  18           HN       ARG  18  54.120  10.053   3.974
  134    HA   ARG  18           HA       ARG  18  55.745  12.414   4.166
  135   1HB   ARG  18           HB2      ARG  18  54.549  12.775   6.152
  136   2HB   ARG  18           HB1      ARG  18  53.452  11.759   5.227
  137   1HG   ARG  18           HG2      ARG  18  55.419  10.442   7.081
  138   2HG   ARG  18           HG1      ARG  18  53.985  11.203   7.754
  139   1HD   ARG  18           HD2      ARG  18  53.234   9.622   5.454
  140   2HD   ARG  18           HD1      ARG  18  54.132   8.626   6.613
  141    HE   ARG  18           HE       ARG  18  52.548   9.516   8.370
  142   1HH1  ARG  18          HH11      ARG  18  51.631  11.117   5.642
  143   2HH1  ARG  18          HH12      ARG  18  49.986  10.572   5.623
  144   1HH2  ARG  18          HH21      ARG  18  50.473   8.181   8.088
  145   2HH2  ARG  18          HH22      ARG  18  49.332   8.907   7.006
  146    H    GLU  19           HN       GLU  19  56.211   9.123   5.449
  147    HA   GLU  19           HA       GLU  19  58.713  10.111   6.744
  148   1HB   GLU  19           HB2      GLU  19  56.727   8.227   7.459
  149   2HB   GLU  19           HB1      GLU  19  58.197   7.305   7.122
  150   1HG   GLU  19           HG2      GLU  19  59.446   8.438   8.733
  151   2HG   GLU  19           HG1      GLU  19  58.355   9.824   8.743
  152    H    ILE  20           HN       ILE  20  57.489   7.740   4.420
  153    HA   ILE  20           HA       ILE  20  59.993   6.586   3.788
  154    HB   ILE  20           HB       ILE  20  57.270   6.627   2.848
  155   1HG1  ILE  20          HG12      ILE  20  57.891   4.355   2.142
  156   2HG1  ILE  20          HG11      ILE  20  59.596   4.755   2.349
  157   1HG2  ILE  20          HG22      ILE  20  59.415   6.896   0.740
  158   2HG2  ILE  20          HG21      ILE  20  57.941   5.982   0.424
  159   3HG2  ILE  20          HG23      ILE  20  57.847   7.698   0.818
  160   1HD1  ILE  20          HD12      ILE  20  57.508   4.819   4.548
  161   2HD1  ILE  20          HD11      ILE  20  58.712   3.551   4.324
  162   3HD1  ILE  20          HD13      ILE  20  59.221   5.186   4.741
  163    H    ARG  21           HN       ARG  21  58.755   9.769   3.237
  164    HA   ARG  21           HA       ARG  21  60.549  10.293   0.965
  165   1HB   ARG  21           HB2      ARG  21  59.481  12.496   1.009
  166   2HB   ARG  21           HB1      ARG  21  58.246  11.252   1.183
  167   1HG   ARG  21           HG2      ARG  21  58.272  11.564   3.628
  168   2HG   ARG  21           HG1      ARG  21  59.512  12.809   3.456
  169   1HD   ARG  21           HD2      ARG  21  57.814  13.945   1.822
  170   2HD   ARG  21           HD1      ARG  21  56.617  12.914   2.627
  171    HE   ARG  21           HE       ARG  21  58.181  14.055   4.674
  172   1HH1  ARG  21          HH21      ARG  21  55.696  14.776   2.422
  173   2HH1  ARG  21          HH22      ARG  21  55.317  16.315   3.120
  174   1HH2  ARG  21          HH11      ARG  21  57.872  16.182   5.459
  175   2HH2  ARG  21          HH12      ARG  21  56.552  17.113   4.834
  176    H    LYS  22           HN       LYS  22  60.376  11.053   4.405
  177    HA   LYS  22           HA       LYS  22  62.884  12.602   4.288
  178   1HB   LYS  22           HB2      LYS  22  61.073  13.363   5.748
  179   2HB   LYS  22           HB1      LYS  22  60.959  11.766   6.489
  180   1HG   LYS  22           HG2      LYS  22  63.622  13.103   6.553
  181   2HG   LYS  22           HG1      LYS  22  62.371  13.758   7.609
  182   1HD   LYS  22           HD2      LYS  22  63.330  10.881   7.528
  183   2HD   LYS  22           HD1      LYS  22  63.617  12.046   8.819
  184   1HE   LYS  22           HE2      LYS  22  60.792  11.954   8.308
  185   2HE   LYS  22           HE1      LYS  22  61.388  10.298   8.543
  186   1HZ   LYS  22           HZ3      LYS  22  62.185  12.564  10.283
  187   2HZ   LYS  22           HZ2      LYS  22  60.863  11.557  10.641
  188   3HZ   LYS  22           HZ1      LYS  22  62.433  10.909  10.558
  189    H    ALA  23           HN       ALA  23  61.552   9.483   5.066
  190    HA   ALA  23           HA       ALA  23  63.887   8.438   6.477
  191   1HB   ALA  23           HB3      ALA  23  61.516   7.175   5.059
  192   2HB   ALA  23           HB2      ALA  23  62.663   6.282   6.052
  193   3HB   ALA  23           HB1      ALA  23  61.643   7.517   6.785
  194    H    TYR  24           HN       TYR  24  62.493   7.903   3.217
  195    HA   TYR  24           HA       TYR  24  64.522   6.351   2.062
  196   1HB   TYR  24           HB2      TYR  24  62.475   6.874   0.902
  197   2HB   TYR  24           HB1      TYR  24  62.791   8.601   0.994
  198    HD1  TYR  24           HD2      TYR  24  64.890   9.500  -0.184
  199    HD2  TYR  24           HD1      TYR  24  63.233   5.614  -0.954
  200    HE1  TYR  24           HE2      TYR  24  66.111   9.408  -2.341
  201    HE2  TYR  24           HE1      TYR  24  64.453   5.522  -3.109
  202    HH   TYR  24           HH       TYR  24  65.759   6.612  -4.527
  203    H    LYS  25           HN       LYS  25  64.252   9.885   2.323
  204    HA   LYS  25           HA       LYS  25  66.827  10.484   1.146
  205   1HB   LYS  25           HB2      LYS  25  64.493  11.803   2.008
  206   2HB   LYS  25           HB1      LYS  25  65.782  12.443   3.028
  207   1HG   LYS  25           HG2      LYS  25  67.087  12.582   0.726
  208   2HG   LYS  25           HG1      LYS  25  65.455  12.616   0.057
  209   1HD   LYS  25           HD2      LYS  25  66.514  14.488   2.197
  210   2HD   LYS  25           HD1      LYS  25  66.282  14.903   0.499
  211   1HE   LYS  25           HE2      LYS  25  64.045  15.216   0.784
  212   2HE   LYS  25           HE1      LYS  25  63.883  13.720   1.727
  213   1HZ   LYS  25           HZ2      LYS  25  65.423  15.801   3.016
  214   2HZ   LYS  25           HZ1      LYS  25  63.786  16.192   2.789
  215   3HZ   LYS  25           HZ3      LYS  25  64.210  14.797   3.653
  216    H    ARG  26           HN       ARG  26  65.590  10.283   4.510
  217    HA   ARG  26           HA       ARG  26  68.011  10.993   5.847
  218   1HB   ARG  26           HB2      ARG  26  65.542   9.415   6.433
  219   2HB   ARG  26           HB1      ARG  26  66.888   9.254   7.558
  220   1HG   ARG  26           HG2      ARG  26  65.910  11.963   6.659
  221   2HG   ARG  26           HG1      ARG  26  65.189  11.131   8.039
  222   1HD   ARG  26           HD2      ARG  26  67.034  11.462   9.363
  223   2HD   ARG  26           HD1      ARG  26  68.163  11.242   8.012
  224    HE   ARG  26           HE       ARG  26  66.739  13.606   7.463
  225   1HH1  ARG  26          HH11      ARG  26  69.774  13.094   8.067
  226   2HH1  ARG  26          HH12      ARG  26  70.031  14.298   9.285
  227   1HH2  ARG  26          HH21      ARG  26  66.650  14.850   9.823
  228   2HH2  ARG  26          HH22      ARG  26  68.261  15.291  10.281
  229    H    LEU  27           HN       LEU  27  66.818   7.698   5.050
  230    HA   LEU  27           HA       LEU  27  69.305   6.446   5.888
  231   1HB   LEU  27           HB2      LEU  27  66.647   5.732   5.144
  232   2HB   LEU  27           HB1      LEU  27  67.755   4.822   4.112
  233    HG   LEU  27           HG       LEU  27  67.249   3.643   6.260
  234   1HD1  LEU  27          HD12      LEU  27  69.860   4.306   5.166
  235   2HD1  LEU  27          HD11      LEU  27  69.968   3.960   6.892
  236   3HD1  LEU  27          HD13      LEU  27  69.277   2.765   5.793
  237   1HD2  LEU  27          HD21      LEU  27  67.712   6.258   7.303
  238   2HD2  LEU  27          HD23      LEU  27  67.250   4.806   8.191
  239   3HD2  LEU  27          HD22      LEU  27  68.955   5.197   7.964
  240    H    ALA  28           HN       ALA  28  68.132   7.821   2.885
  241    HA   ALA  28           HA       ALA  28  69.956   6.387   1.140
  242   1HB   ALA  28           HB3      ALA  28  68.363   8.938   0.958
  243   2HB   ALA  28           HB2      ALA  28  69.372   8.359  -0.368
  244   3HB   ALA  28           HB1      ALA  28  68.015   7.385   0.199
  245    H    MET  29           HN       MET  29  70.178   9.154   3.234
  246    HA   MET  29           HA       MET  29  72.247  10.686   2.160
  247   1HB   MET  29           HB2      MET  29  71.009  10.904   4.342
  248   2HB   MET  29           HB1      MET  29  72.038   9.622   4.982
  249   1HG   MET  29           HG2      MET  29  73.849  10.988   5.170
  250   2HG   MET  29           HG1      MET  29  73.494  11.821   3.656
  251   1HE   MET  29           HE2      MET  29  74.503  13.713   4.853
  252   2HE   MET  29           HE1      MET  29  73.681  14.792   5.976
  253   3HE   MET  29           HE3      MET  29  74.463  13.319   6.569
  254    H    LYS  30           HN       LYS  30  72.416   7.688   3.988
  255    HA   LYS  30           HA       LYS  30  75.192   7.200   4.089
  256   1HB   LYS  30           HB2      LYS  30  72.625   5.873   4.362
  257   2HB   LYS  30           HB1      LYS  30  73.809   4.790   3.629
  258   1HG   LYS  30           HG2      LYS  30  74.177   4.429   5.912
  259   2HG   LYS  30           HG1      LYS  30  75.405   5.631   5.514
  260   1HD   LYS  30           HD2      LYS  30  73.328   7.268   6.111
  261   2HD   LYS  30           HD1      LYS  30  72.960   5.907   7.171
  262   1HE   LYS  30           HE2      LYS  30  75.810   6.647   7.191
  263   2HE   LYS  30           HE1      LYS  30  74.736   7.924   7.794
  264   1HZ   LYS  30           HZ1      LYS  30  74.102   5.202   8.604
  265   2HZ   LYS  30           HZ3      LYS  30  75.499   5.871   9.294
  266   3HZ   LYS  30           HZ2      LYS  30  74.001   6.649   9.489
  267    H    TYR  31           HN       TYR  31  72.989   7.205   1.449
  268    HA   TYR  31           HA       TYR  31  75.018   5.847  -0.305
  269   1HB   TYR  31           HB2      TYR  31  72.036   6.011  -0.784
  270   2HB   TYR  31           HB1      TYR  31  73.191   4.877  -1.487
  271    HD1  TYR  31           HD1      TYR  31  74.754   4.073   0.899
  272    HD2  TYR  31           HD2      TYR  31  70.525   4.649   0.416
  273    HE1  TYR  31           HE1      TYR  31  74.326   2.479   2.749
  274    HE2  TYR  31           HE2      TYR  31  70.096   3.056   2.266
  275    HH   TYR  31           HH       TYR  31  71.888   0.895   3.283
  276    H    HIS  32           HN       HIS  32  73.065   8.672   0.206
  277    HA   HIS  32           HA       HIS  32  72.570   9.897  -2.165
  278   1HB   HIS  32           HB2      HIS  32  73.375  10.646   0.505
  279   2HB   HIS  32           HB1      HIS  32  74.013  11.805  -0.666
  280    HD1  HIS  32           HD1      HIS  32  71.989  13.153   0.865
  281    HD2  HIS  32           HD2      HIS  32  70.839  10.601  -2.224
  282    HE1  HIS  32           HE1      HIS  32  69.621  13.802   0.244
  283    HA   PRO  33           HA       PRO  33  76.013  10.521  -4.783
  284   1HB   PRO  33           HB2      PRO  33  75.931  13.247  -5.230
  285   2HB   PRO  33           HB1      PRO  33  74.814  12.084  -5.974
  286   1HG   PRO  33           HG2      PRO  33  74.437  13.733  -3.504
  287   2HG   PRO  33           HG1      PRO  33  73.340  13.513  -4.885
  288   1HD   PRO  33           HD2      PRO  33  72.929  12.115  -2.689
  289   2HD   PRO  33           HD1      PRO  33  72.817  11.305  -4.271
  290    H    ASP  34           HN       ASP  34  77.697  12.906  -4.884
  291    HA   ASP  34           HA       ASP  34  79.594  13.819  -3.769
  292   1HB   ASP  34           HB2      ASP  34  77.580  13.766  -1.898
  293   2HB   ASP  34           HB1      ASP  34  78.775  12.713  -1.139
  294    H    ARG  35           HN       ARG  35  78.680  10.929  -1.894
  295    HA   ARG  35           HA       ARG  35  81.347   9.733  -2.227
  296   1HB   ARG  35           HB2      ARG  35  80.486   8.241  -0.561
  297   2HB   ARG  35           HB1      ARG  35  79.801   9.810  -0.148
  298   1HG   ARG  35           HG2      ARG  35  77.758   9.164  -1.508
  299   2HG   ARG  35           HG1      ARG  35  78.432   7.538  -1.627
  300   1HD   ARG  35           HD2      ARG  35  78.176   8.822   1.087
  301   2HD   ARG  35           HD1      ARG  35  76.758   8.069   0.333
  302    HE   ARG  35           HE       ARG  35  78.260   6.010   0.042
  303   1HH1  ARG  35          HH21      ARG  35  78.029   7.990   2.790
  304   2HH1  ARG  35          HH22      ARG  35  79.201   7.113   3.715
  305   1HH2  ARG  35          HH11      ARG  35  80.120   5.043   1.093
  306   2HH2  ARG  35          HH12      ARG  35  80.386   5.449   2.755
  307    H    ASN  36           HN       ASN  36  78.061   9.486  -3.374
  308    HA   ASN  36           HA       ASN  36  78.505   6.965  -4.856
  309   1HB   ASN  36           HB2      ASN  36  76.282   8.744  -3.973
  310   2HB   ASN  36           HB1      ASN  36  76.030   7.872  -5.483
  311   1HD2  ASN  36          HD22      ASN  36  75.199   4.930  -3.799
  312   2HD2  ASN  36          HD21      ASN  36  74.934   5.978  -5.108
  313    H    GLN  37           HN       GLN  37  78.514  10.385  -5.398
  314    HA   GLN  37           HA       GLN  37  78.925  11.615  -7.348
  315   1HB   GLN  37           HB2      GLN  37  79.324   8.929  -8.677
  316   2HB   GLN  37           HB1      GLN  37  80.023  10.471  -9.159
  317   1HG   GLN  37           HG2      GLN  37  80.637   9.707  -6.382
  318   2HG   GLN  37           HG1      GLN  37  81.298   8.610  -7.593
  319   1HE2  GLN  37          HE22      GLN  37  82.587  12.518  -7.553
  320   2HE2  GLN  37          HE21      GLN  37  81.088  12.132  -6.857
  321    H    GLY  38           HN       GLY  38  76.449  11.653  -6.825
  322   1HA   GLY  38           HA2      GLY  38  74.365  11.997  -7.859
  323   2HA   GLY  38           HA1      GLY  38  75.084  11.473  -9.382
  324    H    ASP  39           HN       ASP  39  75.913   8.948  -8.943
  325    HA   ASP  39           HA       ASP  39  73.771   7.436  -7.565
  326   1HB   ASP  39           HB2      ASP  39  74.171   7.508 -10.560
  327   2HB   ASP  39           HB1      ASP  39  73.221   6.265  -9.745
  328    H    LYS  40           HN       LYS  40  75.030   5.633 -10.103
  329    HA   LYS  40           HA       LYS  40  76.625   3.928 -10.207
  330   1HB   LYS  40           HB2      LYS  40  77.815   6.054  -8.533
  331   2HB   LYS  40           HB1      LYS  40  78.653   4.511  -8.592
  332   1HG   LYS  40           HG2      LYS  40  79.478   5.035 -10.603
  333   2HG   LYS  40           HG1      LYS  40  77.840   5.210 -11.235
  334   1HD   LYS  40           HD2      LYS  40  78.263   7.514  -9.691
  335   2HD   LYS  40           HD1      LYS  40  79.772   7.278 -10.573
  336   1HE   LYS  40           HE2      LYS  40  78.325   6.952 -12.672
  337   2HE   LYS  40           HE1      LYS  40  76.986   7.612 -11.710
  338   1HZ   LYS  40           HZ1      LYS  40  78.446   9.495 -11.130
  339   2HZ   LYS  40           HZ3      LYS  40  79.622   8.895 -12.195
  340   3HZ   LYS  40           HZ2      LYS  40  78.119   9.414 -12.795
  341    H    GLU  41           HN       GLU  41  76.923   4.885  -6.820
  342    HA   GLU  41           HA       GLU  41  76.642   2.074  -5.965
  343   1HB   GLU  41           HB2      GLU  41  77.620   4.640  -4.950
  344   2HB   GLU  41           HB1      GLU  41  76.723   3.734  -3.729
  345   1HG   GLU  41           HG2      GLU  41  78.343   2.162  -3.548
  346   2HG   GLU  41           HG1      GLU  41  78.552   2.058  -5.295
  347    H    ALA  42           HN       ALA  42  74.566   4.705  -6.530
  348    HA   ALA  42           HA       ALA  42  72.576   3.957  -4.481
  349   1HB   ALA  42           HB3      ALA  42  73.053   6.101  -6.490
  350   2HB   ALA  42           HB2      ALA  42  71.369   5.773  -6.081
  351   3HB   ALA  42           HB1      ALA  42  72.510   6.236  -4.819
  352    H    GLU  43           HN       GLU  43  73.252   3.450  -7.893
  353    HA   GLU  43           HA       GLU  43  70.763   2.732  -8.929
  354   1HB   GLU  43           HB2      GLU  43  72.949   2.802 -10.119
  355   2HB   GLU  43           HB1      GLU  43  73.430   1.323  -9.287
  356   1HG   GLU  43           HG2      GLU  43  71.541   0.118 -10.310
  357   2HG   GLU  43           HG1      GLU  43  71.032   1.595 -11.128
  358    H    ALA  44           HN       ALA  44  72.930   0.736  -6.915
  359    HA   ALA  44           HA       ALA  44  70.962  -1.482  -6.884
  360   1HB   ALA  44           HB1      ALA  44  73.714  -1.244  -6.690
  361   2HB   ALA  44           HB3      ALA  44  73.244  -1.483  -5.007
  362   3HB   ALA  44           HB2      ALA  44  72.798  -2.678  -6.226
  363    H    LYS  45           HN       LYS  45  72.532   0.623  -4.410
  364    HA   LYS  45           HA       LYS  45  70.952  -0.127  -2.232
  365   1HB   LYS  45           HB2      LYS  45  72.732   1.968  -2.943
  366   2HB   LYS  45           HB1      LYS  45  71.309   2.719  -2.205
  367   1HG   LYS  45           HG2      LYS  45  72.080   2.078  -0.192
  368   2HG   LYS  45           HG1      LYS  45  71.848   0.399  -0.688
  369   1HD   LYS  45           HD2      LYS  45  74.215   1.384  -1.954
  370   2HD   LYS  45           HD1      LYS  45  74.312   1.757  -0.232
  371   1HE   LYS  45           HE2      LYS  45  73.754  -0.621   0.291
  372   2HE   LYS  45           HE1      LYS  45  73.767  -0.975  -1.447
  373   1HZ   LYS  45           HZ1      LYS  45  76.034   0.124  -1.451
  374   2HZ   LYS  45           HZ3      LYS  45  76.007  -0.020   0.239
  375   3HZ   LYS  45           HZ2      LYS  45  75.944  -1.412  -0.731
  376    H    PHE  46           HN       PHE  46  70.002   1.741  -5.066
  377    HA   PHE  46           HA       PHE  46  67.638   2.941  -3.945
  378   1HB   PHE  46           HB2      PHE  46  68.848   2.360  -6.567
  379   2HB   PHE  46           HB1      PHE  46  67.085   2.313  -6.606
  380    HD1  PHE  46           HD1      PHE  46  68.804   4.384  -4.113
  381    HD2  PHE  46           HD2      PHE  46  66.998   4.343  -8.011
  382    HE1  PHE  46           HE1      PHE  46  68.730   6.862  -4.106
  383    HE2  PHE  46           HE2      PHE  46  66.927   6.820  -8.004
  384    HZ   PHE  46           HZ       PHE  46  67.792   8.081  -6.052
  385    H    LYS  47           HN       LYS  47  68.454  -0.292  -4.980
  386    HA   LYS  47           HA       LYS  47  65.765  -1.282  -5.009
  387   1HB   LYS  47           HB2      LYS  47  66.864  -3.318  -5.597
  388   2HB   LYS  47           HB1      LYS  47  67.964  -2.091  -6.211
  389   1HG   LYS  47           HG2      LYS  47  69.598  -2.884  -4.919
  390   2HG   LYS  47           HG1      LYS  47  68.625  -2.634  -3.470
  391   1HD   LYS  47           HD2      LYS  47  68.495  -4.869  -3.298
  392   2HD   LYS  47           HD1      LYS  47  67.474  -4.839  -4.737
  393   1HE   LYS  47           HE2      LYS  47  69.111  -5.708  -6.035
  394   2HE   LYS  47           HE1      LYS  47  70.324  -4.595  -5.371
  395   1HZ   LYS  47           HZ2      LYS  47  70.393  -5.930  -3.352
  396   2HZ   LYS  47           HZ1      LYS  47  69.263  -7.018  -4.007
  397   3HZ   LYS  47           HZ3      LYS  47  70.803  -6.876  -4.703
  398    H    GLU  48           HN       GLU  48  67.908  -0.267  -2.616
  399    HA   GLU  48           HA       GLU  48  66.965  -2.207  -0.631
  400   1HB   GLU  48           HB2      GLU  48  68.914   0.104  -0.588
  401   2HB   GLU  48           HB1      GLU  48  68.480  -0.779   0.871
  402   1HG   GLU  48           HG2      GLU  48  69.063  -2.799  -0.938
  403   2HG   GLU  48           HG1      GLU  48  70.267  -1.566  -1.306
  404    H    ILE  49           HN       ILE  49  66.626   1.201  -1.496
  405    HA   ILE  49           HA       ILE  49  64.481   1.423   0.583
  406    HB   ILE  49           HB       ILE  49  65.999   3.523  -0.989
  407   1HG1  ILE  49          HG12      ILE  49  66.770   3.850   1.586
  408   2HG1  ILE  49          HG11      ILE  49  66.561   2.095   1.541
  409   1HG2  ILE  49          HG23      ILE  49  63.640   3.998  -0.093
  410   2HG2  ILE  49          HG22      ILE  49  64.369   3.912   1.511
  411   3HG2  ILE  49          HG21      ILE  49  64.919   5.125   0.355
  412   1HD1  ILE  49          HD11      ILE  49  67.843   3.104  -0.864
  413   2HD1  ILE  49          HD13      ILE  49  68.763   3.497   0.587
  414   3HD1  ILE  49          HD12      ILE  49  68.361   1.818   0.226
  415    H    LYS  50           HN       LYS  50  65.332   2.297  -2.784
  416    HA   LYS  50           HA       LYS  50  62.699   3.222  -3.372
  417   1HB   LYS  50           HB2      LYS  50  65.088   3.430  -4.553
  418   2HB   LYS  50           HB1      LYS  50  64.475   2.065  -5.489
  419   1HG   LYS  50           HG2      LYS  50  62.788   3.309  -6.461
  420   2HG   LYS  50           HG1      LYS  50  62.658   4.402  -5.082
  421   1HD   LYS  50           HD2      LYS  50  63.965   5.884  -6.153
  422   2HD   LYS  50           HD1      LYS  50  65.276   4.704  -6.150
  423   1HE   LYS  50           HE2      LYS  50  64.849   5.314  -8.463
  424   2HE   LYS  50           HE1      LYS  50  64.206   3.677  -8.227
  425   1HZ   LYS  50           HZ1      LYS  50  62.115   5.030  -7.446
  426   2HZ   LYS  50           HZ3      LYS  50  62.765   6.219  -8.464
  427   3HZ   LYS  50           HZ2      LYS  50  62.369   4.690  -9.091
  428    H    GLU  51           HN       GLU  51  64.162   0.020  -3.280
  429    HA   GLU  51           HA       GLU  51  61.888  -1.154  -4.795
  430   1HB   GLU  51           HB2      GLU  51  63.788  -2.323  -5.321
  431   2HB   GLU  51           HB1      GLU  51  64.576  -1.801  -3.855
  432   1HG   GLU  51           HG2      GLU  51  64.333  -4.174  -3.680
  433   2HG   GLU  51           HG1      GLU  51  63.161  -3.456  -2.579
  434    H    ALA  52           HN       ALA  52  63.237  -1.034  -1.523
  435    HA   ALA  52           HA       ALA  52  61.141  -2.686  -0.318
  436   1HB   ALA  52           HB1      ALA  52  63.275  -0.828   0.785
  437   2HB   ALA  52           HB3      ALA  52  62.337  -1.963   1.751
  438   3HB   ALA  52           HB2      ALA  52  63.453  -2.562   0.526
  439    H    TYR  53           HN       TYR  53  62.030   0.763  -0.297
  440    HA   TYR  53           HA       TYR  53  59.664   1.559   1.179
  441   1HB   TYR  53           HB2      TYR  53  60.989   3.331   1.513
  442   2HB   TYR  53           HB1      TYR  53  62.203   2.544   0.539
  443    HD1  TYR  53           HD1      TYR  53  61.147   2.763  -2.195
  444    HD2  TYR  53           HD2      TYR  53  61.021   5.567   1.048
  445    HE1  TYR  53           HE1      TYR  53  61.108   4.630  -3.814
  446    HE2  TYR  53           HE2      TYR  53  60.966   7.437  -0.567
  447    HH   TYR  53           HH       TYR  53  61.832   7.213  -3.668
  448    H    GLU  54           HN       GLU  54  59.833   0.367  -1.831
  449    HA   GLU  54           HA       GLU  54  58.329   2.319  -3.367
  450   1HB   GLU  54           HB2      GLU  54  59.501   0.798  -4.683
  451   2HB   GLU  54           HB1      GLU  54  59.197  -0.545  -3.584
  452   1HG   GLU  54           HG2      GLU  54  57.254  -1.107  -4.625
  453   2HG   GLU  54           HG1      GLU  54  56.764   0.577  -4.819
  454    H    VAL  55           HN       VAL  55  57.535  -0.400  -1.225
  455    HA   VAL  55           HA       VAL  55  54.648   0.227  -1.692
  456    HB   VAL  55           HB       VAL  55  54.578  -1.955  -2.225
  457   1HG1  VAL  55          HG13      VAL  55  57.247  -2.250  -0.863
  458   2HG1  VAL  55          HG12      VAL  55  56.395  -3.592  -1.626
  459   3HG1  VAL  55          HG11      VAL  55  56.912  -2.213  -2.595
  460   1HG2  VAL  55          HG21      VAL  55  55.070  -2.278   0.746
  461   2HG2  VAL  55          HG23      VAL  55  53.509  -2.170  -0.067
  462   3HG2  VAL  55          HG22      VAL  55  54.530  -3.588  -0.304
  463    H    LEU  56           HN       LEU  56  56.893   1.114   0.365
  464    HA   LEU  56           HA       LEU  56  55.691   0.438   2.947
  465   1HB   LEU  56           HB2      LEU  56  58.016   1.707   1.831
  466   2HB   LEU  56           HB1      LEU  56  57.321   2.764   3.058
  467    HG   LEU  56           HG       LEU  56  59.000   1.093   3.952
  468   1HD1  LEU  56          HD13      LEU  56  57.082   2.153   5.269
  469   2HD1  LEU  56          HD12      LEU  56  56.208   0.642   5.023
  470   3HD1  LEU  56          HD11      LEU  56  57.724   0.645   5.925
  471   1HD2  LEU  56          HD22      LEU  56  57.367  -0.670   2.412
  472   2HD2  LEU  56          HD21      LEU  56  58.797  -1.071   3.364
  473   3HD2  LEU  56          HD23      LEU  56  57.199  -1.129   4.106
  474    H    THR  57           HN       THR  57  54.674   2.346   0.437
  475    HA   THR  57           HA       THR  57  53.462   4.445   2.195
  476    HB   THR  57           HB       THR  57  54.087   5.822   0.484
  477    HG1  THR  57           HG1      THR  57  52.035   5.453  -0.344
  478   1HG2  THR  57          HG21      THR  57  55.846   4.101  -0.024
  479   2HG2  THR  57          HG23      THR  57  54.735   3.372  -1.183
  480   3HG2  THR  57          HG22      THR  57  55.332   5.011  -1.444
  481    H    ASP  58           HN       ASP  58  52.865   1.704   0.188
  482    HA   ASP  58           HA       ASP  58  49.923   2.204   0.156
  483   1HB   ASP  58           HB2      ASP  58  51.599   1.601  -1.830
  484   2HB   ASP  58           HB1      ASP  58  51.305  -0.050  -1.264
  485    H    SER  59           HN       SER  59  48.505   0.606   1.030
  486    HA   SER  59           HA       SER  59  49.800  -1.276   2.955
  487   1HB   SER  59           HB2      SER  59  47.973  -0.851   4.292
  488   2HB   SER  59           HB1      SER  59  47.903   0.612   3.313
  489    HG   SER  59           HG       SER  59  45.989  -0.100   2.812
  490    H    GLN  60           HN       GLN  60  49.613  -1.929   0.070
  491    HA   GLN  60           HA       GLN  60  47.982  -4.412   0.356
  492   1HB   GLN  60           HB2      GLN  60  47.567  -3.802  -2.265
  493   2HB   GLN  60           HB1      GLN  60  46.446  -3.364  -0.983
  494   1HG   GLN  60           HG2      GLN  60  46.717  -1.219  -1.593
  495   2HG   GLN  60           HG1      GLN  60  48.374  -1.302  -1.029
  496   1HE2  GLN  60          HE22      GLN  60  49.766  -1.257  -4.214
  497   2HE2  GLN  60          HE21      GLN  60  50.012  -1.244  -2.538
  498    H    LYS  61           HN       LYS  61  50.492  -2.622  -1.439
  499    HA   LYS  61           HA       LYS  61  51.515  -4.860  -2.903
  500   1HB   LYS  61           HB2      LYS  61  52.694  -2.290  -1.804
  501   2HB   LYS  61           HB1      LYS  61  53.631  -3.413  -2.791
  502   1HG   LYS  61           HG2      LYS  61  52.509  -2.887  -4.704
  503   2HG   LYS  61           HG1      LYS  61  50.981  -2.652  -3.867
  504   1HD   LYS  61           HD2      LYS  61  51.693  -0.470  -3.059
  505   2HD   LYS  61           HD1      LYS  61  53.316  -0.721  -3.700
  506   1HE   LYS  61           HE2      LYS  61  51.934  -1.118  -5.971
  507   2HE   LYS  61           HE1      LYS  61  50.803  -0.026  -5.149
  508   1HZ   LYS  61           HZ2      LYS  61  52.922   1.283  -4.565
  509   2HZ   LYS  61           HZ1      LYS  61  53.631   0.432  -5.854
  510   3HZ   LYS  61           HZ3      LYS  61  52.291   1.433  -6.135
  511    H    ARG  62           HN       ARG  62  52.104  -3.456   0.288
  512    HA   ARG  62           HA       ARG  62  54.200  -4.978   1.297
  513   1HB   ARG  62           HB2      ARG  62  51.557  -4.054   2.461
  514   2HB   ARG  62           HB1      ARG  62  52.790  -4.817   3.465
  515   1HG   ARG  62           HG2      ARG  62  53.223  -2.343   1.766
  516   2HG   ARG  62           HG1      ARG  62  52.951  -2.335   3.506
  517   1HD   ARG  62           HD2      ARG  62  55.271  -3.715   2.102
  518   2HD   ARG  62           HD1      ARG  62  55.368  -2.212   3.039
  519    HE   ARG  62           HE       ARG  62  55.335  -4.807   4.202
  520   1HH1  ARG  62          HH11      ARG  62  54.902  -1.553   4.848
  521   2HH1  ARG  62          HH12      ARG  62  54.043  -1.777   6.334
  522   1HH2  ARG  62          HH21      ARG  62  53.711  -5.207   5.928
  523   2HH2  ARG  62          HH22      ARG  62  53.346  -3.847   6.935
  524    H    ALA  63           HN       ALA  63  50.733  -5.876   1.471
  525    HA   ALA  63           HA       ALA  63  50.936  -8.474   2.420
  526   1HB   ALA  63           HB2      ALA  63  49.101  -6.818   0.969
  527   2HB   ALA  63           HB1      ALA  63  49.099  -8.409   0.209
  528   3HB   ALA  63           HB3      ALA  63  48.726  -8.250   1.926
  529    H    ALA  64           HN       ALA  64  51.674  -7.264  -0.797
  530    HA   ALA  64           HA       ALA  64  52.293  -9.947  -1.876
  531   1HB   ALA  64           HB3      ALA  64  52.254  -7.081  -2.830
  532   2HB   ALA  64           HB2      ALA  64  53.028  -8.325  -3.810
  533   3HB   ALA  64           HB1      ALA  64  51.310  -8.446  -3.428
  534    H    TYR  65           HN       TYR  65  54.027  -6.878  -1.709
  535    HA   TYR  65           HA       TYR  65  56.636  -7.904  -2.115
  536   1HB   TYR  65           HB2      TYR  65  55.242  -5.460  -1.618
  537   2HB   TYR  65           HB1      TYR  65  56.635  -5.514  -0.543
  538    HD1  TYR  65           HD2      TYR  65  58.938  -5.879  -1.487
  539    HD2  TYR  65           HD1      TYR  65  55.508  -5.218  -3.989
  540    HE1  TYR  65           HE2      TYR  65  60.430  -5.357  -3.400
  541    HE2  TYR  65           HE1      TYR  65  57.001  -4.698  -5.898
  542    HH   TYR  65           HH       TYR  65  59.563  -3.770  -6.028
  543    H    ASP  66           HN       ASP  66  54.708  -7.578   0.863
  544    HA   ASP  66           HA       ASP  66  56.830  -7.652   2.727
  545   1HB   ASP  66           HB2      ASP  66  55.137  -8.354   4.295
  546   2HB   ASP  66           HB1      ASP  66  54.355  -7.283   3.136
  547    H    GLN  67           HN       GLN  67  55.237 -10.281   0.940
  548    HA   GLN  67           HA       GLN  67  57.068 -12.250   2.248
  549   1HB   GLN  67           HB2      GLN  67  55.475 -13.899   1.426
  550   2HB   GLN  67           HB1      GLN  67  54.575 -12.595   2.200
  551   1HG   GLN  67           HG2      GLN  67  54.614 -11.599  -0.276
  552   2HG   GLN  67           HG1      GLN  67  54.771 -13.305  -0.693
  553   1HE2  GLN  67          HE22      GLN  67  51.312 -13.775  -0.294
  554   2HE2  GLN  67          HE21      GLN  67  52.727 -14.131  -1.160
  555    H    TYR  68           HN       TYR  68  56.936 -10.311  -0.474
  556    HA   TYR  68           HA       TYR  68  58.133 -12.281  -2.337
  557   1HB   TYR  68           HB2      TYR  68  56.644  -9.843  -2.462
  558   2HB   TYR  68           HB1      TYR  68  58.193  -9.569  -3.267
  559    HD1  TYR  68           HD1      TYR  68  58.712 -12.411  -4.185
  560    HD2  TYR  68           HD2      TYR  68  55.191  -9.957  -4.357
  561    HE1  TYR  68           HE1      TYR  68  57.916 -13.691  -6.155
  562    HE2  TYR  68           HE2      TYR  68  54.395 -11.236  -6.325
  563    HH   TYR  68           HH       TYR  68  54.741 -13.492  -7.313
  564    H    GLY  69           HN       GLY  69  60.129 -11.200  -3.590
  565   1HA   GLY  69           HA2      GLY  69  62.001  -9.480  -2.901
  566   2HA   GLY  69           HA1      GLY  69  62.113 -10.520  -1.480
  567    H    HIS  70           HN       HIS  70  63.241 -10.052  -4.625
  568    HA   HIS  70           HA       HIS  70  64.722 -11.320  -5.955
  569   1HB   HIS  70           HB2      HIS  70  64.942 -12.352  -3.171
  570   2HB   HIS  70           HB1      HIS  70  65.649 -13.353  -4.442
  571    HD1  HIS  70           HD1      HIS  70  67.898 -12.657  -5.288
  572    HD2  HIS  70           HD2      HIS  70  65.994  -9.570  -3.234
  573    HE1  HIS  70           HE1      HIS  70  69.577 -10.768  -5.119
  574    H    ALA  71           HN       ALA  71  62.251 -11.865  -6.711
  575    HA   ALA  71           HA       ALA  71  60.817 -13.521  -7.600
  576   1HB   ALA  71           HB3      ALA  71  63.361 -13.945  -8.375
  577   2HB   ALA  71           HB2      ALA  71  63.093 -15.450  -7.493
  578   3HB   ALA  71           HB1      ALA  71  62.050 -15.025  -8.851
  579    H    ALA  72           HN       ALA  72  61.489 -13.417  -4.575
  580    HA   ALA  72           HA       ALA  72  61.609 -15.778  -3.205
  581   1HB   ALA  72           HB3      ALA  72  61.048 -13.373  -2.453
  582   2HB   ALA  72           HB2      ALA  72  59.364 -13.812  -2.726
  583   3HB   ALA  72           HB1      ALA  72  60.321 -14.686  -1.530
  584    H    PHE  73           HN       PHE  73  58.386 -14.545  -4.177
  585    HA   PHE  73           HA       PHE  73  57.408 -17.358  -4.226
  586   1HB   PHE  73           HB2      PHE  73  56.417 -14.745  -3.478
  587   2HB   PHE  73           HB1      PHE  73  55.326 -15.492  -4.647
  588    HD1  PHE  73           HD2      PHE  73  55.607 -18.353  -4.061
  589    HD2  PHE  73           HD1      PHE  73  55.392 -15.005  -1.378
  590    HE1  PHE  73           HE2      PHE  73  54.718 -19.836  -2.282
  591    HE2  PHE  73           HE1      PHE  73  54.504 -16.486   0.400
  592    HZ   PHE  73           HZ       PHE  73  54.166 -18.902  -0.051
  593    H    GLU  74           HN       GLU  74  59.065 -16.225  -6.433
  594    HA   GLU  74           HA       GLU  74  57.048 -16.485  -8.639
  595   1HB   GLU  74           HB2      GLU  74  58.425 -14.217  -7.927
  596   2HB   GLU  74           HB1      GLU  74  59.476 -14.899  -9.169
  597   1HG   GLU  74           HG2      GLU  74  56.834 -15.193 -10.129
  598   2HG   GLU  74           HG1      GLU  74  56.947 -13.552  -9.493
  599    H    GLN  75           HN       GLN  75  60.210 -17.326  -7.381
  600    HA   GLN  75           HA       GLN  75  61.689 -19.045  -8.074
  601   1HB   GLN  75           HB2      GLN  75  59.111 -19.742  -8.891
  602   2HB   GLN  75           HB1      GLN  75  60.081 -19.920 -10.353
  603   1HG   GLN  75           HG2      GLN  75  61.409 -21.586  -9.437
  604   2HG   GLN  75           HG1      GLN  75  61.160 -21.022  -7.785
  605   1HE2  GLN  75          HE22      GLN  75  57.785 -22.534  -7.712
  606   2HE2  GLN  75          HE21      GLN  75  58.469 -21.011  -7.407
  607    H    GLY  76           HN       GLY  76  60.111 -18.147 -11.155
  608   1HA   GLY  76           HA2      GLY  76  61.855 -16.284 -12.194
  609   2HA   GLY  76           HA1      GLY  76  62.702 -17.810 -12.453
  610    H    GLY  77           HN       GLY  77  59.475 -16.356 -12.952
  611   1HA   GLY  77           HA2      GLY  77  58.790 -16.299 -15.412
  612   2HA   GLY  77           HA1      GLY  77  59.260 -17.999 -15.442
   
  No H/Q in entry =         612
  Start of MODEL    8
    1   1H    ALA   1           HT3      ALA   1  69.601 -10.276   4.527
    2   2H    ALA   1           HT2      ALA   1  68.545 -10.214   3.196
    3   3H    ALA   1           HT1      ALA   1  70.154  -9.692   3.034
    4    HA   ALA   1           HA       ALA   1  69.795  -7.741   4.232
    5   1HB   ALA   1           HB3      ALA   1  68.602  -8.158   1.952
    6   2HB   ALA   1           HB2      ALA   1  67.124  -8.210   2.911
    7   3HB   ALA   1           HB1      ALA   1  68.115  -6.751   2.899
    8    H    LYS   2           HN       LYS   2  69.595  -8.856   6.475
    9    HA   LYS   2           HA       LYS   2  67.238  -9.637   7.735
   10   1HB   LYS   2           HB2      LYS   2  69.786  -9.177   8.467
   11   2HB   LYS   2           HB1      LYS   2  69.041  -7.741   9.170
   12   1HG   LYS   2           HG2      LYS   2  67.647  -8.999  10.583
   13   2HG   LYS   2           HG1      LYS   2  67.830 -10.462   9.613
   14   1HD   LYS   2           HD2      LYS   2  69.773 -11.051  10.640
   15   2HD   LYS   2           HD1      LYS   2  70.354  -9.386  10.706
   16   1HE   LYS   2           HE2      LYS   2  69.960  -9.740  12.970
   17   2HE   LYS   2           HE1      LYS   2  68.345  -9.182  12.489
   18   1HZ   LYS   2           HZ1      LYS   2  68.194 -11.739  11.802
   19   2HZ   LYS   2           HZ3      LYS   2  69.263 -11.875  13.112
   20   3HZ   LYS   2           HZ2      LYS   2  67.733 -11.171  13.337
   21    H    GLN   3           HN       GLN   3  66.018  -8.215   9.423
   22    HA   GLN   3           HA       GLN   3  64.529  -6.422   9.816
   23   1HB   GLN   3           HB2      GLN   3  66.701  -4.955   8.280
   24   2HB   GLN   3           HB1      GLN   3  65.502  -4.209   9.336
   25   1HG   GLN   3           HG2      GLN   3  66.457  -5.108  11.276
   26   2HG   GLN   3           HG1      GLN   3  67.280  -6.393  10.390
   27   1HE2  GLN   3          HE22      GLN   3  70.048  -4.329   9.447
   28   2HE2  GLN   3          HE21      GLN   3  69.182  -5.729   9.036
   29    H    ASP   4           HN       ASP   4  62.641  -6.196   8.771
   30    HA   ASP   4           HA       ASP   4  62.108  -6.775   6.079
   31   1HB   ASP   4           HB2      ASP   4  60.511  -6.557   7.978
   32   2HB   ASP   4           HB1      ASP   4  60.731  -4.808   7.932
   33    H    TYR   5           HN       TYR   5  61.731  -5.362   4.239
   34    HA   TYR   5           HA       TYR   5  63.661  -3.275   3.893
   35   1HB   TYR   5           HB2      TYR   5  61.461  -2.841   2.104
   36   2HB   TYR   5           HB1      TYR   5  63.045  -3.517   1.745
   37    HD1  TYR   5           HD1      TYR   5  59.573  -4.338   2.769
   38    HD2  TYR   5           HD2      TYR   5  63.360  -5.855   1.429
   39    HE1  TYR   5           HE1      TYR   5  58.537  -6.544   2.329
   40    HE2  TYR   5           HE2      TYR   5  62.327  -8.060   0.993
   41    HH   TYR   5           HH       TYR   5  60.085  -9.284   2.069
   42    H    TYR   6           HN       TYR   6  60.692  -3.239   5.555
   43    HA   TYR   6           HA       TYR   6  60.029  -0.430   5.129
   44   1HB   TYR   6           HB2      TYR   6  58.611  -2.510   5.872
   45   2HB   TYR   6           HB1      TYR   6  59.187  -2.077   7.480
   46    HD1  TYR   6           HD2      TYR   6  59.333   0.978   6.141
   47    HD2  TYR   6           HD1      TYR   6  56.332  -1.974   7.010
   48    HE1  TYR   6           HE2      TYR   6  57.619   2.761   6.295
   49    HE2  TYR   6           HE1      TYR   6  54.622  -0.187   7.163
   50    HH   TYR   6           HH       TYR   6  55.202   3.011   6.103
   51    H    GLU   7           HN       GLU   7  62.048  -2.295   7.251
   52    HA   GLU   7           HA       GLU   7  62.514  -0.035   9.087
   53   1HB   GLU   7           HB2      GLU   7  63.069  -2.932   8.874
   54   2HB   GLU   7           HB1      GLU   7  64.350  -2.001   9.652
   55   1HG   GLU   7           HG2      GLU   7  62.380  -0.919  11.003
   56   2HG   GLU   7           HG1      GLU   7  61.489  -2.358  10.508
   57    H    ILE   8           HN       ILE   8  63.778  -1.414   6.195
   58    HA   ILE   8           HA       ILE   8  66.520  -0.726   6.282
   59    HB   ILE   8           HB       ILE   8  64.423  -1.443   4.363
   60   1HG1  ILE   8          HG12      ILE   8  66.226  -2.836   3.466
   61   2HG1  ILE   8          HG11      ILE   8  67.411  -1.950   4.426
   62   1HG2  ILE   8          HG21      ILE   8  66.560   0.509   3.550
   63   2HG2  ILE   8          HG23      ILE   8  66.036  -0.735   2.415
   64   3HG2  ILE   8          HG22      ILE   8  64.872   0.429   3.044
   65   1HD1  ILE   8          HD12      ILE   8  65.600  -2.671   6.348
   66   2HD1  ILE   8          HD11      ILE   8  65.513  -4.052   5.255
   67   3HD1  ILE   8          HD13      ILE   8  67.058  -3.587   5.967
   68    H    LEU   9           HN       LEU   9  63.675   1.275   5.476
   69    HA   LEU   9           HA       LEU   9  65.355   3.575   4.730
   70   1HB   LEU   9           HB2      LEU   9  62.380   3.312   5.232
   71   2HB   LEU   9           HB1      LEU   9  63.174   4.613   4.348
   72    HG   LEU   9           HG       LEU   9  63.874   1.954   3.345
   73   1HD1  LEU   9          HD11      LEU   9  60.990   2.873   3.359
   74   2HD1  LEU   9          HD13      LEU   9  61.617   1.683   2.216
   75   3HD1  LEU   9          HD12      LEU   9  61.630   1.339   3.947
   76   1HD2  LEU   9          HD23      LEU   9  64.358   4.108   2.211
   77   2HD2  LEU   9          HD22      LEU   9  63.365   3.052   1.208
   78   3HD2  LEU   9          HD21      LEU   9  62.625   4.404   2.062
   79    H    GLY  10           HN       GLY  10  65.225   2.313   7.596
   80   1HA   GLY  10           HA2      GLY  10  65.345   3.131   9.789
   81   2HA   GLY  10           HA1      GLY  10  65.659   4.708   9.062
   82    H    VAL  11           HN       VAL  11  62.735   2.913   8.361
   83    HA   VAL  11           HA       VAL  11  61.137   5.132   9.522
   84    HB   VAL  11           HB       VAL  11  60.229   2.688   7.983
   85   1HG1  VAL  11          HG11      VAL  11  59.086   5.399   8.618
   86   2HG1  VAL  11          HG13      VAL  11  58.504   4.471   7.236
   87   3HG1  VAL  11          HG12      VAL  11  58.361   3.809   8.864
   88   1HG2  VAL  11          HG21      VAL  11  62.102   4.225   6.919
   89   2HG2  VAL  11          HG23      VAL  11  60.720   3.702   5.960
   90   3HG2  VAL  11          HG22      VAL  11  60.747   5.323   6.655
   91    H    SER  12           HN       SER  12  59.003   4.336  10.562
   92    HA   SER  12           HA       SER  12  59.671   2.430  12.706
   93   1HB   SER  12           HB2      SER  12  57.020   3.767  12.393
   94   2HB   SER  12           HB1      SER  12  57.960   3.502  13.859
   95    HG   SER  12           HG       SER  12  57.863   5.722  12.950
   96    H    LYS  13           HN       LYS  13  58.900   1.944   9.686
   97    HA   LYS  13           HA       LYS  13  57.499   0.544   8.456
   98   1HB   LYS  13           HB2      LYS  13  58.091  -1.622   8.913
   99   2HB   LYS  13           HB1      LYS  13  59.241  -0.796   9.962
  100   1HG   LYS  13           HG2      LYS  13  57.516  -0.978  11.824
  101   2HG   LYS  13           HG1      LYS  13  56.582  -2.024  10.755
  102   1HD   LYS  13           HD2      LYS  13  59.178  -3.053  10.632
  103   2HD   LYS  13           HD1      LYS  13  58.950  -2.646  12.332
  104   1HE   LYS  13           HE2      LYS  13  56.791  -3.914  12.314
  105   2HE   LYS  13           HE1      LYS  13  57.136  -4.407  10.645
  106   1HZ   LYS  13           HZ2      LYS  13  59.467  -4.815  12.098
  107   2HZ   LYS  13           HZ1      LYS  13  58.210  -5.450  13.049
  108   3HZ   LYS  13           HZ3      LYS  13  58.432  -6.001  11.460
  109    H    THR  14           HN       THR  14  56.237   2.256  10.511
  110    HA   THR  14           HA       THR  14  53.560   0.993  10.428
  111    HB   THR  14           HB       THR  14  53.309   1.796  12.859
  112    HG1  THR  14           HG1      THR  14  56.134   1.749  12.733
  113   1HG2  THR  14          HG21      THR  14  55.143  -0.449  12.033
  114   2HG2  THR  14          HG23      THR  14  54.735  -0.178  13.727
  115   3HG2  THR  14          HG22      THR  14  53.463  -0.540  12.561
  116    H    ALA  15           HN       ALA  15  55.441   3.418   9.488
  117    HA   ALA  15           HA       ALA  15  53.860   5.761  10.284
  118   1HB   ALA  15           HB1      ALA  15  56.490   5.245   9.649
  119   2HB   ALA  15           HB3      ALA  15  55.888   5.912   8.132
  120   3HB   ALA  15           HB2      ALA  15  55.768   6.853   9.618
  121    H    GLU  16           HN       GLU  16  54.353   7.034   7.730
  122    HA   GLU  16           HA       GLU  16  52.646   5.561   5.801
  123   1HB   GLU  16           HB2      GLU  16  52.127   8.353   6.903
  124   2HB   GLU  16           HB1      GLU  16  51.205   7.590   5.603
  125   1HG   GLU  16           HG2      GLU  16  49.846   6.854   7.261
  126   2HG   GLU  16           HG1      GLU  16  51.114   5.670   7.570
  127    H    GLU  17           HN       GLU  17  52.512   8.442   4.595
  128    HA   GLU  17           HA       GLU  17  55.056   8.218   3.106
  129   1HB   GLU  17           HB2      GLU  17  53.874  10.147   1.800
  130   2HB   GLU  17           HB1      GLU  17  53.213   8.519   1.678
  131   1HG   GLU  17           HG2      GLU  17  51.538  10.416   2.115
  132   2HG   GLU  17           HG1      GLU  17  51.437   9.012   3.177
  133    H    ARG  18           HN       ARG  18  54.092   9.737   5.907
  134    HA   ARG  18           HA       ARG  18  55.296  12.352   5.450
  135   1HB   ARG  18           HB2      ARG  18  54.366  12.825   7.501
  136   2HB   ARG  18           HB1      ARG  18  53.453  11.362   7.154
  137   1HG   ARG  18           HG2      ARG  18  56.083  11.247   8.644
  138   2HG   ARG  18           HG1      ARG  18  54.565  11.555   9.478
  139   1HD   ARG  18           HD2      ARG  18  54.063   9.354   7.768
  140   2HD   ARG  18           HD1      ARG  18  55.611   9.026   8.572
  141    HE   ARG  18           HE       ARG  18  53.089   8.974   9.890
  142   1HH1  ARG  18          HH21      ARG  18  53.272  11.107  11.487
  143   2HH1  ARG  18          HH22      ARG  18  54.534  10.832  12.643
  144   1HH2  ARG  18          HH11      ARG  18  55.994   8.259  10.836
  145   2HH2  ARG  18          HH12      ARG  18  56.071   9.218  12.277
  146    H    GLU  19           HN       GLU  19  56.393   9.303   6.918
  147    HA   GLU  19           HA       GLU  19  59.022  10.577   7.493
  148   1HB   GLU  19           HB2      GLU  19  57.428   8.564   8.702
  149   2HB   GLU  19           HB1      GLU  19  58.889   7.771   8.103
  150   1HG   GLU  19           HG2      GLU  19  60.231   8.855   9.567
  151   2HG   GLU  19           HG1      GLU  19  59.373  10.380   9.357
  152    H    ILE  20           HN       ILE  20  57.451   8.205   5.451
  153    HA   ILE  20           HA       ILE  20  59.809   7.033   4.375
  154    HB   ILE  20           HB       ILE  20  56.960   7.005   4.012
  155   1HG1  ILE  20          HG12      ILE  20  57.393   4.762   3.296
  156   2HG1  ILE  20          HG11      ILE  20  59.039   5.171   2.811
  157   1HG2  ILE  20          HG22      ILE  20  58.577   7.312   1.470
  158   2HG2  ILE  20          HG21      ILE  20  57.029   6.468   1.504
  159   3HG2  ILE  20          HG23      ILE  20  57.111   8.177   1.935
  160   1HD1  ILE  20          HD13      ILE  20  58.488   5.838   5.608
  161   2HD1  ILE  20          HD12      ILE  20  58.312   4.120   5.267
  162   3HD1  ILE  20          HD11      ILE  20  59.831   4.936   4.912
  163    H    ARG  21           HN       ARG  21  58.499  10.191   4.104
  164    HA   ARG  21           HA       ARG  21  59.728  10.731   1.489
  165   1HB   ARG  21           HB2      ARG  21  58.526  12.754   1.614
  166   2HB   ARG  21           HB1      ARG  21  57.520  11.668   2.570
  167   1HG   ARG  21           HG2      ARG  21  58.784  12.465   4.620
  168   2HG   ARG  21           HG1      ARG  21  59.518  13.700   3.596
  169   1HD   ARG  21           HD2      ARG  21  56.598  13.562   3.297
  170   2HD   ARG  21           HD1      ARG  21  57.120  13.999   4.937
  171    HE   ARG  21           HE       ARG  21  58.660  15.692   3.735
  172   1HH1  ARG  21          HH11      ARG  21  57.438  14.689   1.052
  173   2HH1  ARG  21          HH12      ARG  21  56.374  16.008   0.695
  174   1HH2  ARG  21          HH21      ARG  21  56.522  17.336   3.895
  175   2HH2  ARG  21          HH22      ARG  21  55.858  17.509   2.305
  176    H    LYS  22           HN       LYS  22  60.330  11.492   4.886
  177    HA   LYS  22           HA       LYS  22  62.785  12.951   4.196
  178   1HB   LYS  22           HB2      LYS  22  62.873  13.173   6.721
  179   2HB   LYS  22           HB1      LYS  22  61.422  13.854   5.982
  180   1HG   LYS  22           HG2      LYS  22  60.067  12.176   6.760
  181   2HG   LYS  22           HG1      LYS  22  61.371  10.990   6.775
  182   1HD   LYS  22           HD2      LYS  22  61.051  13.291   8.726
  183   2HD   LYS  22           HD1      LYS  22  60.750  11.591   9.082
  184   1HE   LYS  22           HE2      LYS  22  63.279  11.433   8.076
  185   2HE   LYS  22           HE1      LYS  22  63.329  13.027   8.852
  186   1HZ   LYS  22           HZ2      LYS  22  61.919  11.536  10.616
  187   2HZ   LYS  22           HZ1      LYS  22  63.068  10.419  10.052
  188   3HZ   LYS  22           HZ3      LYS  22  63.578  11.879  10.745
  189    H    ALA  23           HN       ALA  23  61.580   9.886   5.289
  190    HA   ALA  23           HA       ALA  23  64.148   8.822   6.202
  191   1HB   ALA  23           HB2      ALA  23  61.536   7.544   5.312
  192   2HB   ALA  23           HB1      ALA  23  62.848   6.678   6.112
  193   3HB   ALA  23           HB3      ALA  23  61.981   7.953   6.970
  194    H    TYR  24           HN       TYR  24  62.132   8.364   3.281
  195    HA   TYR  24           HA       TYR  24  63.846   6.735   1.765
  196   1HB   TYR  24           HB2      TYR  24  61.636   7.268   1.011
  197   2HB   TYR  24           HB1      TYR  24  61.956   8.999   1.078
  198    HD1  TYR  24           HD1      TYR  24  63.684   9.985  -0.521
  199    HD2  TYR  24           HD2      TYR  24  62.093   6.020  -0.951
  200    HE1  TYR  24           HE1      TYR  24  64.432   9.943  -2.884
  201    HE2  TYR  24           HE2      TYR  24  62.843   5.975  -3.312
  202    HH   TYR  24           HH       TYR  24  63.405   8.295  -5.110
  203    H    LYS  25           HN       LYS  25  63.871  10.254   2.229
  204    HA   LYS  25           HA       LYS  25  66.215  10.614   0.481
  205   1HB   LYS  25           HB2      LYS  25  64.153  12.155   0.849
  206   2HB   LYS  25           HB1      LYS  25  64.965  12.639   2.338
  207   1HG   LYS  25           HG2      LYS  25  66.586  13.801   1.231
  208   2HG   LYS  25           HG1      LYS  25  66.672  12.626  -0.081
  209   1HD   LYS  25           HD2      LYS  25  64.849  13.574  -1.220
  210   2HD   LYS  25           HD1      LYS  25  64.257  14.398   0.223
  211   1HE   LYS  25           HE2      LYS  25  66.499  15.717   0.138
  212   2HE   LYS  25           HE1      LYS  25  66.590  15.145  -1.541
  213   1HZ   LYS  25           HZ1      LYS  25  64.058  16.240  -0.522
  214   2HZ   LYS  25           HZ3      LYS  25  65.284  17.313  -0.993
  215   3HZ   LYS  25           HZ2      LYS  25  64.652  16.204  -2.114
  216    H    ARG  26           HN       ARG  26  65.442  10.691   3.979
  217    HA   ARG  26           HA       ARG  26  68.100  11.566   4.772
  218   1HB   ARG  26           HB2      ARG  26  66.177  11.885   6.202
  219   2HB   ARG  26           HB1      ARG  26  65.845  10.153   6.218
  220   1HG   ARG  26           HG2      ARG  26  67.342   9.789   7.865
  221   2HG   ARG  26           HG1      ARG  26  68.580  10.733   7.036
  222   1HD   ARG  26           HD2      ARG  26  66.910  12.731   7.850
  223   2HD   ARG  26           HD1      ARG  26  66.704  11.565   9.173
  224    HE   ARG  26           HE       ARG  26  69.493  11.919   8.374
  225   1HH1  ARG  26          HH11      ARG  26  67.925  11.493  11.104
  226   2HH1  ARG  26          HH12      ARG  26  68.471  12.904  11.949
  227   1HH2  ARG  26          HH21      ARG  26  69.759  14.427   9.111
  228   2HH2  ARG  26          HH22      ARG  26  69.514  14.564  10.819
  229    H    LEU  27           HN       LEU  27  66.723   8.387   4.063
  230    HA   LEU  27           HA       LEU  27  68.977   6.988   5.356
  231   1HB   LEU  27           HB2      LEU  27  66.322   6.417   4.499
  232   2HB   LEU  27           HB1      LEU  27  67.408   5.328   3.635
  233    HG   LEU  27           HG       LEU  27  66.682   4.390   5.828
  234   1HD1  LEU  27          HD13      LEU  27  69.384   4.739   4.864
  235   2HD1  LEU  27          HD12      LEU  27  69.385   4.647   6.625
  236   3HD1  LEU  27          HD11      LEU  27  68.671   3.344   5.676
  237   1HD2  LEU  27          HD22      LEU  27  66.702   6.830   6.818
  238   2HD2  LEU  27          HD21      LEU  27  67.118   5.469   7.859
  239   3HD2  LEU  27          HD23      LEU  27  68.392   6.471   7.167
  240    H    ALA  28           HN       ALA  28  68.077   8.037   2.109
  241    HA   ALA  28           HA       ALA  28  69.952   6.291   0.737
  242   1HB   ALA  28           HB1      ALA  28  67.858   7.909   0.051
  243   2HB   ALA  28           HB3      ALA  28  69.239   8.867  -0.482
  244   3HB   ALA  28           HB2      ALA  28  69.013   7.230  -1.097
  245    H    MET  29           HN       MET  29  70.117   9.409   2.311
  246    HA   MET  29           HA       MET  29  72.353  10.624   1.167
  247   1HB   MET  29           HB2      MET  29  70.904  11.217   3.205
  248   2HB   MET  29           HB1      MET  29  71.997  10.183   4.126
  249   1HG   MET  29           HG2      MET  29  73.783  11.616   3.895
  250   2HG   MET  29           HG1      MET  29  73.221  12.233   2.342
  251   1HE   MET  29           HE3      MET  29  74.199  13.116   5.429
  252   2HE   MET  29           HE2      MET  29  74.304  14.464   4.300
  253   3HE   MET  29           HE1      MET  29  73.394  14.648   5.797
  254    H    LYS  30           HN       LYS  30  72.224   8.092   3.604
  255    HA   LYS  30           HA       LYS  30  74.926   7.535   4.083
  256   1HB   LYS  30           HB2      LYS  30  72.285   6.339   4.267
  257   2HB   LYS  30           HB1      LYS  30  73.508   5.114   3.913
  258   1HG   LYS  30           HG2      LYS  30  73.692   5.164   6.217
  259   2HG   LYS  30           HG1      LYS  30  74.861   6.416   5.799
  260   1HD   LYS  30           HD2      LYS  30  73.513   7.418   7.471
  261   2HD   LYS  30           HD1      LYS  30  72.879   8.063   5.956
  262   1HE   LYS  30           HE2      LYS  30  71.190   6.133   5.998
  263   2HE   LYS  30           HE1      LYS  30  71.694   5.873   7.681
  264   1HZ   LYS  30           HZ1      LYS  30  71.207   8.632   6.915
  265   2HZ   LYS  30           HZ3      LYS  30  69.828   7.647   6.973
  266   3HZ   LYS  30           HZ2      LYS  30  70.807   7.818   8.351
  267    H    TYR  31           HN       TYR  31  73.034   7.097   1.237
  268    HA   TYR  31           HA       TYR  31  75.186   5.400   0.011
  269   1HB   TYR  31           HB2      TYR  31  72.259   5.538  -0.766
  270   2HB   TYR  31           HB1      TYR  31  73.434   4.284  -1.185
  271    HD1  TYR  31           HD1      TYR  31  74.808   3.738   1.309
  272    HD2  TYR  31           HD2      TYR  31  70.647   4.562   0.634
  273    HE1  TYR  31           HE1      TYR  31  74.227   2.492   3.373
  274    HE2  TYR  31           HE2      TYR  31  70.066   3.315   2.699
  275    HH   TYR  31           HH       TYR  31  71.741   1.195   4.096
  276    H    HIS  32           HN       HIS  32  73.184   8.245  -0.270
  277    HA   HIS  32           HA       HIS  32  73.030   9.099  -2.815
  278   1HB   HIS  32           HB2      HIS  32  73.799  10.284  -0.233
  279   2HB   HIS  32           HB1      HIS  32  74.263  11.259  -1.630
  280    HD1  HIS  32           HD1      HIS  32  72.414  13.032  -1.211
  281    HD2  HIS  32           HD2      HIS  32  70.934   9.173  -1.749
  282    HE1  HIS  32           HE1      HIS  32  69.910  13.262  -1.514
  283    HA   PRO  33           HA       PRO  33  76.771   8.937  -5.065
  284   1HB   PRO  33           HB2      PRO  33  76.690  11.362  -6.376
  285   2HB   PRO  33           HB1      PRO  33  75.700   9.957  -6.822
  286   1HG   PRO  33           HG2      PRO  33  74.980  12.292  -5.095
  287   2HG   PRO  33           HG1      PRO  33  74.069  11.561  -6.433
  288   1HD   PRO  33           HD2      PRO  33  73.431  10.949  -3.944
  289   2HD   PRO  33           HD1      PRO  33  73.502   9.666  -5.177
  290    H    ASP  34           HN       ASP  34  78.418  11.195  -5.769
  291    HA   ASP  34           HA       ASP  34  80.183  12.496  -4.855
  292   1HB   ASP  34           HB2      ASP  34  77.924  12.915  -3.227
  293   2HB   ASP  34           HB1      ASP  34  79.204  12.479  -2.095
  294    H    ARG  35           HN       ARG  35  79.067  10.501  -2.119
  295    HA   ARG  35           HA       ARG  35  81.716   9.334  -1.711
  296   1HB   ARG  35           HB2      ARG  35  80.604   8.355   0.166
  297   2HB   ARG  35           HB1      ARG  35  79.817   9.918  -0.024
  298   1HG   ARG  35           HG2      ARG  35  77.992   8.866  -1.284
  299   2HG   ARG  35           HG1      ARG  35  78.778   7.294  -1.150
  300   1HD   ARG  35           HD2      ARG  35  76.975   7.609   0.566
  301   2HD   ARG  35           HD1      ARG  35  78.570   7.389   1.312
  302    HE   ARG  35           HE       ARG  35  77.600  10.151   0.751
  303   1HH1  ARG  35          HH11      ARG  35  80.134   9.726   2.241
  304   2HH1  ARG  35          HH12      ARG  35  79.627   9.860   3.892
  305   1HH2  ARG  35          HH21      ARG  35  76.262   9.436   3.168
  306   2HH2  ARG  35          HH22      ARG  35  77.433   9.699   4.417
  307    H    ASN  36           HN       ASN  36  78.731   8.712  -3.364
  308    HA   ASN  36           HA       ASN  36  79.466   5.938  -4.081
  309   1HB   ASN  36           HB2      ASN  36  77.035   7.640  -3.759
  310   2HB   ASN  36           HB1      ASN  36  76.981   6.519  -5.110
  311   1HD2  ASN  36          HD22      ASN  36  76.077   3.900  -2.969
  312   2HD2  ASN  36          HD21      ASN  36  75.851   4.696  -4.450
  313    H    GLN  37           HN       GLN  37  77.867   6.205  -6.526
  314    HA   GLN  37           HA       GLN  37  79.142   8.231  -8.207
  315   1HB   GLN  37           HB2      GLN  37  79.765   5.273  -8.399
  316   2HB   GLN  37           HB1      GLN  37  80.171   6.435  -9.663
  317   1HG   GLN  37           HG2      GLN  37  81.373   7.768  -7.828
  318   2HG   GLN  37           HG1      GLN  37  81.220   6.321  -6.833
  319   1HE2  GLN  37          HE22      GLN  37  83.125   4.621  -9.729
  320   2HE2  GLN  37          HE21      GLN  37  81.463   4.615  -9.388
  321    H    GLY  38           HN       GLY  38  76.641   8.411  -8.029
  322   1HA   GLY  38           HA2      GLY  38  74.701   8.401  -9.396
  323   2HA   GLY  38           HA1      GLY  38  75.512   7.264 -10.483
  324    H    ASP  39           HN       ASP  39  76.222   5.215  -8.895
  325    HA   ASP  39           HA       ASP  39  73.944   4.384  -7.209
  326   1HB   ASP  39           HB2      ASP  39  74.688   3.124  -9.862
  327   2HB   ASP  39           HB1      ASP  39  73.671   2.319  -8.666
  328    H    LYS  40           HN       LYS  40  75.873   1.992  -8.796
  329    HA   LYS  40           HA       LYS  40  77.521   0.553  -7.988
  330   1HB   LYS  40           HB2      LYS  40  78.161   3.126  -6.613
  331   2HB   LYS  40           HB1      LYS  40  79.237   1.741  -6.547
  332   1HG   LYS  40           HG2      LYS  40  78.333   3.235  -9.028
  333   2HG   LYS  40           HG1      LYS  40  79.958   3.212  -8.349
  334   1HD   LYS  40           HD2      LYS  40  80.406   1.421  -9.632
  335   2HD   LYS  40           HD1      LYS  40  79.228   0.506  -8.689
  336   1HE   LYS  40           HE2      LYS  40  77.420   1.259 -10.196
  337   2HE   LYS  40           HE1      LYS  40  78.600   2.184 -11.146
  338   1HZ   LYS  40           HZ1      LYS  40  79.851  -0.121 -11.058
  339   2HZ   LYS  40           HZ3      LYS  40  78.269  -0.714 -10.911
  340   3HZ   LYS  40           HZ2      LYS  40  78.703   0.220 -12.264
  341    H    GLU  41           HN       GLU  41  76.944   2.513  -5.087
  342    HA   GLU  41           HA       GLU  41  76.346  -0.006  -3.594
  343   1HB   GLU  41           HB2      GLU  41  77.475   2.685  -3.030
  344   2HB   GLU  41           HB1      GLU  41  76.445   2.023  -1.760
  345   1HG   GLU  41           HG2      GLU  41  78.277   0.882  -1.080
  346   2HG   GLU  41           HG1      GLU  41  78.008  -0.147  -2.487
  347    H    ALA  42           HN       ALA  42  74.944   2.800  -4.977
  348    HA   ALA  42           HA       ALA  42  72.495   2.715  -3.338
  349   1HB   ALA  42           HB2      ALA  42  73.886   4.532  -5.086
  350   2HB   ALA  42           HB1      ALA  42  72.252   4.296  -5.705
  351   3HB   ALA  42           HB3      ALA  42  72.496   4.867  -4.055
  352    H    GLU  43           HN       GLU  43  73.838   1.146  -6.078
  353    HA   GLU  43           HA       GLU  43  71.594   0.763  -7.763
  354   1HB   GLU  43           HB2      GLU  43  73.994   0.122  -8.143
  355   2HB   GLU  43           HB1      GLU  43  73.775  -1.207  -7.005
  356   1HG   GLU  43           HG2      GLU  43  71.932  -2.088  -8.436
  357   2HG   GLU  43           HG1      GLU  43  72.259  -0.805  -9.600
  358    H    ALA  44           HN       ALA  44  72.700  -1.268  -5.014
  359    HA   ALA  44           HA       ALA  44  70.160  -2.789  -5.074
  360   1HB   ALA  44           HB3      ALA  44  72.857  -2.947  -3.801
  361   2HB   ALA  44           HB2      ALA  44  71.525  -3.693  -2.917
  362   3HB   ALA  44           HB1      ALA  44  71.900  -4.221  -4.557
  363    H    LYS  45           HN       LYS  45  71.528  -0.043  -3.448
  364    HA   LYS  45           HA       LYS  45  69.679  -0.285  -1.161
  365   1HB   LYS  45           HB2      LYS  45  72.141   1.015  -1.756
  366   2HB   LYS  45           HB1      LYS  45  70.961   2.271  -1.352
  367   1HG   LYS  45           HG2      LYS  45  71.102   1.714   0.816
  368   2HG   LYS  45           HG1      LYS  45  70.574   0.076   0.433
  369   1HD   LYS  45           HD2      LYS  45  73.329   0.501  -0.372
  370   2HD   LYS  45           HD1      LYS  45  73.109   0.832   1.347
  371   1HE   LYS  45           HE2      LYS  45  71.666  -1.439   1.186
  372   2HE   LYS  45           HE1      LYS  45  72.815  -1.740  -0.133
  373   1HZ   LYS  45           HZ3      LYS  45  74.561  -0.896   1.500
  374   2HZ   LYS  45           HZ2      LYS  45  73.392  -1.150   2.708
  375   3HZ   LYS  45           HZ1      LYS  45  73.943  -2.453   1.767
  376    H    PHE  46           HN       PHE  46  70.055   1.625  -4.140
  377    HA   PHE  46           HA       PHE  46  67.964   3.510  -3.707
  378   1HB   PHE  46           HB2      PHE  46  69.626   3.477  -5.594
  379   2HB   PHE  46           HB1      PHE  46  68.789   2.077  -6.265
  380    HD1  PHE  46           HD1      PHE  46  67.440   5.187  -4.669
  381    HD2  PHE  46           HD2      PHE  46  67.736   2.802  -8.230
  382    HE1  PHE  46           HE1      PHE  46  65.833   6.691  -5.812
  383    HE2  PHE  46           HE2      PHE  46  66.130   4.306  -9.372
  384    HZ   PHE  46           HZ       PHE  46  65.178   6.251  -8.163
  385    H    LYS  47           HN       LYS  47  67.957   0.126  -4.644
  386    HA   LYS  47           HA       LYS  47  65.123   0.028  -5.174
  387   1HB   LYS  47           HB2      LYS  47  65.692  -2.115  -5.858
  388   2HB   LYS  47           HB1      LYS  47  67.341  -1.525  -5.731
  389   1HG   LYS  47           HG2      LYS  47  67.771  -2.748  -3.861
  390   2HG   LYS  47           HG1      LYS  47  66.130  -2.609  -3.237
  391   1HD   LYS  47           HD2      LYS  47  65.850  -4.726  -3.965
  392   2HD   LYS  47           HD1      LYS  47  65.758  -4.010  -5.574
  393   1HE   LYS  47           HE2      LYS  47  68.046  -4.463  -6.032
  394   2HE   LYS  47           HE1      LYS  47  68.405  -4.783  -4.323
  395   1HZ   LYS  47           HZ2      LYS  47  66.365  -6.336  -5.800
  396   2HZ   LYS  47           HZ1      LYS  47  68.001  -6.796  -5.810
  397   3HZ   LYS  47           HZ3      LYS  47  67.148  -6.736  -4.346
  398    H    GLU  48           HN       GLU  48  67.380  -0.787  -2.544
  399    HA   GLU  48           HA       GLU  48  65.455  -1.567  -0.623
  400   1HB   GLU  48           HB2      GLU  48  68.050  -0.010  -0.327
  401   2HB   GLU  48           HB1      GLU  48  67.219  -0.826   0.995
  402   1HG   GLU  48           HG2      GLU  48  67.749  -2.499  -1.390
  403   2HG   GLU  48           HG1      GLU  48  69.178  -1.993  -0.486
  404    H    ILE  49           HN       ILE  49  66.113   1.464  -2.150
  405    HA   ILE  49           HA       ILE  49  64.694   2.977  -0.055
  406    HB   ILE  49           HB       ILE  49  65.945   3.742  -2.710
  407   1HG1  ILE  49          HG12      ILE  49  67.879   3.496  -1.539
  408   2HG1  ILE  49          HG11      ILE  49  67.396   4.975  -0.714
  409   1HG2  ILE  49          HG22      ILE  49  64.068   5.097  -1.158
  410   2HG2  ILE  49          HG21      ILE  49  65.610   5.854  -0.758
  411   3HG2  ILE  49          HG23      ILE  49  65.072   5.782  -2.436
  412   1HD1  ILE  49          HD11      ILE  49  66.141   3.503   0.933
  413   2HD1  ILE  49          HD13      ILE  49  66.960   2.128   0.195
  414   3HD1  ILE  49          HD12      ILE  49  67.898   3.384   0.995
  415    H    LYS  50           HN       LYS  50  64.435   2.838  -3.619
  416    HA   LYS  50           HA       LYS  50  61.594   3.528  -3.370
  417   1HB   LYS  50           HB2      LYS  50  63.136   4.529  -5.062
  418   2HB   LYS  50           HB1      LYS  50  63.325   2.937  -5.800
  419   1HG   LYS  50           HG2      LYS  50  61.072   2.865  -6.509
  420   2HG   LYS  50           HG1      LYS  50  60.593   4.153  -5.403
  421   1HD   LYS  50           HD2      LYS  50  62.403   5.520  -6.827
  422   2HD   LYS  50           HD1      LYS  50  61.947   4.339  -8.055
  423   1HE   LYS  50           HE2      LYS  50  60.268   5.860  -8.478
  424   2HE   LYS  50           HE1      LYS  50  59.483   5.044  -7.111
  425   1HZ   LYS  50           HZ3      LYS  50  61.191   6.740  -5.887
  426   2HZ   LYS  50           HZ2      LYS  50  60.702   7.659  -7.231
  427   3HZ   LYS  50           HZ1      LYS  50  59.545   7.052  -6.145
  428    H    GLU  51           HN       GLU  51  63.499   0.622  -3.727
  429    HA   GLU  51           HA       GLU  51  61.270  -0.917  -4.912
  430   1HB   GLU  51           HB2      GLU  51  63.838  -1.163  -5.296
  431   2HB   GLU  51           HB1      GLU  51  63.856  -1.956  -3.725
  432   1HG   GLU  51           HG2      GLU  51  63.661  -3.537  -5.611
  433   2HG   GLU  51           HG1      GLU  51  62.308  -3.623  -4.482
  434    H    ALA  52           HN       ALA  52  62.794  -0.216  -1.849
  435    HA   ALA  52           HA       ALA  52  61.286  -2.279  -0.367
  436   1HB   ALA  52           HB3      ALA  52  63.697  -1.114  -0.098
  437   2HB   ALA  52           HB2      ALA  52  62.747  -0.012   0.897
  438   3HB   ALA  52           HB1      ALA  52  62.802  -1.724   1.288
  439    H    TYR  53           HN       TYR  53  61.618   1.242  -0.290
  440    HA   TYR  53           HA       TYR  53  59.264   1.647   1.341
  441   1HB   TYR  53           HB2      TYR  53  60.456   3.506   1.711
  442   2HB   TYR  53           HB1      TYR  53  61.639   2.917   0.568
  443    HD1  TYR  53           HD1      TYR  53  60.414   3.228  -2.022
  444    HD2  TYR  53           HD2      TYR  53  60.147   5.752   1.432
  445    HE1  TYR  53           HE1      TYR  53  60.037   5.188  -3.484
  446    HE2  TYR  53           HE2      TYR  53  59.751   7.711  -0.019
  447    HH   TYR  53           HH       TYR  53  60.435   7.830  -3.172
  448    H    GLU  54           HN       GLU  54  59.266   0.602  -1.721
  449    HA   GLU  54           HA       GLU  54  57.431   2.537  -2.945
  450   1HB   GLU  54           HB2      GLU  54  58.530   1.453  -4.631
  451   2HB   GLU  54           HB1      GLU  54  58.875   0.046  -3.628
  452   1HG   GLU  54           HG2      GLU  54  56.811  -0.966  -4.125
  453   2HG   GLU  54           HG1      GLU  54  56.079   0.558  -4.631
  454    H    VAL  55           HN       VAL  55  57.219  -0.422  -1.030
  455    HA   VAL  55           HA       VAL  55  54.246  -0.376  -1.392
  456    HB   VAL  55           HB       VAL  55  54.420  -2.618  -1.576
  457   1HG1  VAL  55          HG12      VAL  55  56.746  -1.942  -2.438
  458   2HG1  VAL  55          HG11      VAL  55  57.342  -2.587  -0.908
  459   3HG1  VAL  55          HG13      VAL  55  56.474  -3.635  -2.028
  460   1HG2  VAL  55          HG23      VAL  55  55.759  -2.423   1.120
  461   2HG2  VAL  55          HG22      VAL  55  54.138  -3.005   0.744
  462   3HG2  VAL  55          HG21      VAL  55  55.545  -3.973   0.307
  463    H    LEU  56           HN       LEU  56  56.181   1.171   0.501
  464    HA   LEU  56           HA       LEU  56  55.305   0.327   3.164
  465   1HB   LEU  56           HB2      LEU  56  57.037   2.355   1.862
  466   2HB   LEU  56           HB1      LEU  56  56.408   2.782   3.457
  467    HG   LEU  56           HG       LEU  56  57.234   0.606   4.329
  468   1HD1  LEU  56          HD11      LEU  56  57.813   0.244   1.458
  469   2HD1  LEU  56          HD13      LEU  56  59.102  -0.271   2.545
  470   3HD1  LEU  56          HD12      LEU  56  57.487  -0.962   2.704
  471   1HD2  LEU  56          HD21      LEU  56  59.178   2.502   3.004
  472   2HD2  LEU  56          HD23      LEU  56  58.722   2.422   4.703
  473   3HD2  LEU  56          HD22      LEU  56  59.733   1.162   4.005
  474    H    THR  57           HN       THR  57  53.712   1.830   0.682
  475    HA   THR  57           HA       THR  57  52.044   3.480   2.557
  476    HB   THR  57           HB       THR  57  52.376   5.182   1.088
  477    HG1  THR  57           HG1      THR  57  51.503   4.973  -0.995
  478   1HG2  THR  57          HG23      THR  57  53.831   3.154  -0.636
  479   2HG2  THR  57          HG22      THR  57  53.866   4.900  -0.883
  480   3HG2  THR  57          HG21      THR  57  54.565   4.202   0.579
  481    H    ASP  58           HN       ASP  58  52.107   0.595   1.011
  482    HA   ASP  58           HA       ASP  58  49.141   0.591   0.602
  483   1HB   ASP  58           HB2      ASP  58  50.761   0.748  -1.458
  484   2HB   ASP  58           HB1      ASP  58  51.054  -0.966  -1.132
  485    H    SER  59           HN       SER  59  48.199  -1.058   1.751
  486    HA   SER  59           HA       SER  59  49.819  -2.978   3.232
  487   1HB   SER  59           HB2      SER  59  47.859  -3.235   4.391
  488   2HB   SER  59           HB1      SER  59  47.374  -1.789   3.510
  489    HG   SER  59           HG       SER  59  45.810  -3.239   3.071
  490    H    GLN  60           HN       GLN  60  47.766  -3.069   0.341
  491    HA   GLN  60           HA       GLN  60  47.620  -5.880  -0.058
  492   1HB   GLN  60           HB2      GLN  60  47.155  -5.201  -2.381
  493   2HB   GLN  60           HB1      GLN  60  46.359  -4.097  -1.254
  494   1HG   GLN  60           HG2      GLN  60  48.632  -2.766  -1.442
  495   2HG   GLN  60           HG1      GLN  60  48.772  -3.630  -2.973
  496   1HE2  GLN  60          HE22      GLN  60  45.521  -1.131  -2.542
  497   2HE2  GLN  60          HE21      GLN  60  46.086  -1.988  -1.191
  498    H    LYS  61           HN       LYS  61  50.185  -3.551  -0.798
  499    HA   LYS  61           HA       LYS  61  51.758  -5.475  -2.345
  500   1HB   LYS  61           HB2      LYS  61  52.597  -2.820  -1.160
  501   2HB   LYS  61           HB1      LYS  61  53.222  -3.603  -2.611
  502   1HG   LYS  61           HG2      LYS  61  51.026  -3.317  -3.709
  503   2HG   LYS  61           HG1      LYS  61  50.412  -2.510  -2.267
  504   1HD   LYS  61           HD2      LYS  61  51.165  -0.580  -3.160
  505   2HD   LYS  61           HD1      LYS  61  52.796  -1.169  -2.834
  506   1HE   LYS  61           HE2      LYS  61  52.862  -2.248  -5.055
  507   2HE   LYS  61           HE1      LYS  61  51.221  -1.657  -5.387
  508   1HZ   LYS  61           HZ2      LYS  61  52.180   0.607  -4.707
  509   2HZ   LYS  61           HZ1      LYS  61  53.699  -0.097  -4.997
  510   3HZ   LYS  61           HZ3      LYS  61  52.563   0.014  -6.251
  511    H    ARG  62           HN       ARG  62  51.951  -3.896   0.862
  512    HA   ARG  62           HA       ARG  62  54.352  -4.945   1.815
  513   1HB   ARG  62           HB2      ARG  62  51.650  -4.515   3.120
  514   2HB   ARG  62           HB1      ARG  62  53.093  -4.920   4.051
  515   1HG   ARG  62           HG2      ARG  62  52.927  -2.565   2.154
  516   2HG   ARG  62           HG1      ARG  62  52.637  -2.445   3.889
  517   1HD   ARG  62           HD2      ARG  62  55.177  -3.740   2.929
  518   2HD   ARG  62           HD1      ARG  62  55.058  -1.970   2.961
  519    HE   ARG  62           HE       ARG  62  54.321  -2.262   5.395
  520   1HH1  ARG  62          HH11      ARG  62  56.810  -3.938   3.813
  521   2HH1  ARG  62          HH12      ARG  62  57.253  -4.899   5.185
  522   1HH2  ARG  62          HH21      ARG  62  54.607  -3.800   7.140
  523   2HH2  ARG  62          HH22      ARG  62  56.003  -4.824   7.067
  524    H    ALA  63           HN       ALA  63  51.251  -6.571   1.352
  525    HA   ALA  63           HA       ALA  63  52.110  -9.052   2.654
  526   1HB   ALA  63           HB3      ALA  63  49.727  -7.970   2.247
  527   2HB   ALA  63           HB2      ALA  63  49.838  -8.803   0.697
  528   3HB   ALA  63           HB1      ALA  63  49.908  -9.724   2.199
  529    H    ALA  64           HN       ALA  64  52.181  -7.630  -0.524
  530    HA   ALA  64           HA       ALA  64  52.886 -10.157  -1.894
  531   1HB   ALA  64           HB3      ALA  64  51.685  -7.729  -2.562
  532   2HB   ALA  64           HB2      ALA  64  53.291  -7.595  -3.274
  533   3HB   ALA  64           HB1      ALA  64  52.240  -8.940  -3.718
  534    H    TYR  65           HN       TYR  65  54.343  -6.952  -1.430
  535    HA   TYR  65           HA       TYR  65  56.958  -7.450  -2.333
  536   1HB   TYR  65           HB2      TYR  65  55.785  -5.311  -1.559
  537   2HB   TYR  65           HB1      TYR  65  56.192  -5.788   0.073
  538    HD1  TYR  65           HD2      TYR  65  58.093  -6.137  -3.130
  539    HD2  TYR  65           HD1      TYR  65  57.943  -4.409   0.800
  540    HE1  TYR  65           HE2      TYR  65  60.398  -5.273  -3.422
  541    HE2  TYR  65           HE1      TYR  65  60.250  -3.549   0.509
  542    HH   TYR  65           HH       TYR  65  61.992  -3.972  -2.567
  543    H    ASP  66           HN       ASP  66  55.580  -7.825   0.921
  544    HA   ASP  66           HA       ASP  66  57.764  -8.320   2.433
  545   1HB   ASP  66           HB2      ASP  66  56.274 -10.009   3.643
  546   2HB   ASP  66           HB1      ASP  66  55.552  -8.426   3.354
  547    H    GLN  67           HN       GLN  67  56.443 -10.500  -0.011
  548    HA   GLN  67           HA       GLN  67  58.857 -11.903  -0.494
  549   1HB   GLN  67           HB2      GLN  67  58.130 -14.054   0.779
  550   2HB   GLN  67           HB1      GLN  67  58.834 -12.740   1.721
  551   1HG   GLN  67           HG2      GLN  67  56.840 -12.206   2.728
  552   2HG   GLN  67           HG1      GLN  67  55.885 -12.665   1.318
  553   1HE2  GLN  67          HE22      GLN  67  55.040 -15.401   3.509
  554   2HE2  GLN  67          HE21      GLN  67  54.551 -13.836   3.070
  555    H    TYR  68           HN       TYR  68  56.887 -11.066  -2.217
  556    HA   TYR  68           HA       TYR  68  55.898 -13.646  -3.317
  557   1HB   TYR  68           HB2      TYR  68  54.319 -11.668  -1.919
  558   2HB   TYR  68           HB1      TYR  68  53.782 -11.783  -3.600
  559    HD1  TYR  68           HD1      TYR  68  52.969 -13.928  -4.525
  560    HD2  TYR  68           HD2      TYR  68  54.095 -13.538  -0.397
  561    HE1  TYR  68           HE1      TYR  68  51.820 -16.064  -4.007
  562    HE2  TYR  68           HE2      TYR  68  52.947 -15.674   0.119
  563    HH   TYR  68           HH       TYR  68  50.997 -17.339  -2.291
  564    H    GLY  69           HN       GLY  69  57.998 -12.135  -4.349
  565   1HA   GLY  69           HA2      GLY  69  56.935 -10.363  -6.451
  566   2HA   GLY  69           HA1      GLY  69  58.639 -10.727  -6.166
  567    H    HIS  70           HN       HIS  70  55.674 -12.522  -7.081
  568    HA   HIS  70           HA       HIS  70  57.119 -13.640  -9.418
  569   1HB   HIS  70           HB2      HIS  70  57.562 -15.064  -7.398
  570   2HB   HIS  70           HB1      HIS  70  55.817 -15.324  -7.257
  571    HD1  HIS  70           HD1      HIS  70  57.612 -15.217 -10.576
  572    HD2  HIS  70           HD2      HIS  70  55.874 -18.036  -8.045
  573    HE1  HIS  70           HE1      HIS  70  57.516 -17.386 -11.879
  574    H    ALA  71           HN       ALA  71  54.501 -15.576  -8.568
  575    HA   ALA  71           HA       ALA  71  52.798 -14.318 -10.620
  576   1HB   ALA  71           HB3      ALA  71  53.197 -16.899  -9.323
  577   2HB   ALA  71           HB2      ALA  71  51.486 -16.475  -9.387
  578   3HB   ALA  71           HB1      ALA  71  52.434 -16.546 -10.874
  579    H    ALA  72           HN       ALA  72  53.381 -13.235  -7.757
  580    HA   ALA  72           HA       ALA  72  51.355 -13.320  -5.937
  581   1HB   ALA  72           HB2      ALA  72  53.432 -11.646  -6.542
  582   2HB   ALA  72           HB1      ALA  72  52.052 -10.576  -6.792
  583   3HB   ALA  72           HB3      ALA  72  52.289 -11.359  -5.230
  584    H    PHE  73           HN       PHE  73  51.130 -11.849  -9.150
  585    HA   PHE  73           HA       PHE  73  48.356 -10.929  -8.593
  586   1HB   PHE  73           HB2      PHE  73  50.589 -10.121 -10.204
  587   2HB   PHE  73           HB1      PHE  73  49.214 -10.429 -11.266
  588    HD1  PHE  73           HD2      PHE  73  50.490  -8.391  -8.480
  589    HD2  PHE  73           HD1      PHE  73  47.149  -9.134 -11.075
  590    HE1  PHE  73           HE2      PHE  73  49.461  -6.251  -7.766
  591    HE2  PHE  73           HE1      PHE  73  46.120  -6.993 -10.362
  592    HZ   PHE  73           HZ       PHE  73  47.276  -5.552  -8.708
  593    H    GLU  74           HN       GLU  74  48.544 -13.729  -8.616
  594    HA   GLU  74           HA       GLU  74  47.781 -14.641 -11.332
  595   1HB   GLU  74           HB2      GLU  74  47.851 -16.861 -10.216
  596   2HB   GLU  74           HB1      GLU  74  49.332 -15.949  -9.930
  597   1HG   GLU  74           HG2      GLU  74  48.659 -15.361  -7.715
  598   2HG   GLU  74           HG1      GLU  74  47.004 -15.904  -8.000
  599    H    GLN  75           HN       GLN  75  46.073 -16.708  -9.661
  600    HA   GLN  75           HA       GLN  75  43.767 -15.106  -8.815
  601   1HB   GLN  75           HB2      GLN  75  42.325 -15.885 -10.661
  602   2HB   GLN  75           HB1      GLN  75  43.705 -14.985 -11.293
  603   1HG   GLN  75           HG2      GLN  75  44.264 -17.843 -10.967
  604   2HG   GLN  75           HG1      GLN  75  42.947 -17.525 -12.096
  605   1HE2  GLN  75          HE22      GLN  75  45.257 -15.290 -14.034
  606   2HE2  GLN  75          HE21      GLN  75  43.817 -15.037 -13.173
  607    H    GLY  76           HN       GLY  76  45.229 -17.075  -7.430
  608   1HA   GLY  76           HA2      GLY  76  44.450 -18.785  -5.932
  609   2HA   GLY  76           HA1      GLY  76  43.117 -19.112  -7.040
  610    H    GLY  77           HN       GLY  77  45.661 -18.892  -9.047
  611   1HA   GLY  77           HA2      GLY  77  47.412 -20.487  -9.620
  612   2HA   GLY  77           HA1      GLY  77  46.594 -21.688  -8.619
   
  No H/Q in entry =         612
  Start of MODEL    9
    1   1H    ALA   1           HT2      ALA   1  69.645 -12.168   3.004
    2   2H    ALA   1           HT1      ALA   1  70.847 -11.155   2.358
    3   3H    ALA   1           HT3      ALA   1  70.623 -11.240   4.037
    4    HA   ALA   1           HA       ALA   1  69.539  -9.272   3.554
    5   1HB   ALA   1           HB3      ALA   1  68.755 -10.755   1.025
    6   2HB   ALA   1           HB2      ALA   1  68.226  -9.115   1.405
    7   3HB   ALA   1           HB1      ALA   1  69.940  -9.455   1.164
    8    H    LYS   2           HN       LYS   2  68.432 -10.174   5.487
    9    HA   LYS   2           HA       LYS   2  65.761 -11.389   4.865
   10   1HB   LYS   2           HB2      LYS   2  67.896 -11.960   6.717
   11   2HB   LYS   2           HB1      LYS   2  66.428 -11.584   7.620
   12   1HG   LYS   2           HG2      LYS   2  65.357 -13.177   5.736
   13   2HG   LYS   2           HG1      LYS   2  66.988 -13.852   5.772
   14   1HD   LYS   2           HD2      LYS   2  65.819 -15.090   7.415
   15   2HD   LYS   2           HD1      LYS   2  66.710 -13.883   8.343
   16   1HE   LYS   2           HE2      LYS   2  64.799 -12.818   9.012
   17   2HE   LYS   2           HE1      LYS   2  64.025 -13.017   7.428
   18   1HZ   LYS   2           HZ1      LYS   2  63.830 -15.416   7.931
   19   2HZ   LYS   2           HZ3      LYS   2  64.398 -15.112   9.500
   20   3HZ   LYS   2           HZ2      LYS   2  62.923 -14.443   8.988
   21    H    GLN   3           HN       GLN   3  64.728 -10.815   7.506
   22    HA   GLN   3           HA       GLN   3  63.582  -9.093   8.661
   23   1HB   GLN   3           HB2      GLN   3  66.218  -8.081   7.827
   24   2HB   GLN   3           HB1      GLN   3  65.032  -6.806   8.106
   25   1HG   GLN   3           HG2      GLN   3  65.688  -7.040  10.281
   26   2HG   GLN   3           HG1      GLN   3  64.548  -8.386  10.260
   27   1HE2  GLN   3          HE22      GLN   3  68.563  -9.270   9.949
   28   2HE2  GLN   3          HE21      GLN   3  67.998  -7.787   9.344
   29    H    ASP   4           HN       ASP   4  61.738  -8.125   8.028
   30    HA   ASP   4           HA       ASP   4  60.786  -7.797   5.456
   31   1HB   ASP   4           HB2      ASP   4  59.714  -7.507   7.775
   32   2HB   ASP   4           HB1      ASP   4  60.278  -5.837   7.701
   33    H    TYR   5           HN       TYR   5  60.378  -5.620   4.298
   34    HA   TYR   5           HA       TYR   5  62.953  -4.119   4.241
   35   1HB   TYR   5           HB2      TYR   5  61.173  -3.439   2.084
   36   2HB   TYR   5           HB1      TYR   5  62.734  -4.250   2.014
   37    HD1  TYR   5           HD2      TYR   5  62.673  -6.806   2.789
   38    HD2  TYR   5           HD1      TYR   5  59.299  -4.596   1.317
   39    HE1  TYR   5           HE2      TYR   5  61.553  -8.929   2.174
   40    HE2  TYR   5           HE1      TYR   5  58.179  -6.721   0.702
   41    HH   TYR   5           HH       TYR   5  59.395  -9.801   1.721
   42    H    TYR   6           HN       TYR   6  60.038  -3.765   5.712
   43    HA   TYR   6           HA       TYR   6  59.599  -0.911   5.124
   44   1HB   TYR   6           HB2      TYR   6  57.919  -2.815   5.750
   45   2HB   TYR   6           HB1      TYR   6  58.415  -2.453   7.401
   46    HD1  TYR   6           HD2      TYR   6  58.967   0.581   6.095
   47    HD2  TYR   6           HD1      TYR   6  55.630  -2.051   6.743
   48    HE1  TYR   6           HE2      TYR   6  57.435   2.530   6.139
   49    HE2  TYR   6           HE1      TYR   6  54.102  -0.098   6.787
   50    HH   TYR   6           HH       TYR   6  55.264   3.165   6.066
   51    H    GLU   7           HN       GLU   7  61.187  -2.935   7.493
   52    HA   GLU   7           HA       GLU   7  61.739  -0.677   9.310
   53   1HB   GLU   7           HB2      GLU   7  62.385  -3.632   9.213
   54   2HB   GLU   7           HB1      GLU   7  63.044  -2.576  10.462
   55   1HG   GLU   7           HG2      GLU   7  60.635  -1.846  10.918
   56   2HG   GLU   7           HG1      GLU   7  60.139  -3.207   9.911
   57    H    ILE   8           HN       ILE   8  63.253  -2.460   6.702
   58    HA   ILE   8           HA       ILE   8  65.997  -1.868   7.155
   59    HB   ILE   8           HB       ILE   8  64.267  -2.964   5.150
   60   1HG1  ILE   8          HG12      ILE   8  66.918  -3.419   4.382
   61   2HG1  ILE   8          HG11      ILE   8  66.996  -3.186   6.129
   62   1HG2  ILE   8          HG23      ILE   8  64.647  -0.787   3.944
   63   2HG2  ILE   8          HG22      ILE   8  66.373  -1.137   3.951
   64   3HG2  ILE   8          HG21      ILE   8  65.262  -2.192   3.078
   65   1HD1  ILE   8          HD13      ILE   8  65.026  -4.813   6.290
   66   2HD1  ILE   8          HD12      ILE   8  65.337  -5.199   4.598
   67   3HD1  ILE   8          HD11      ILE   8  66.573  -5.516   5.816
   68    H    LEU   9           HN       LEU   9  63.350   0.122   6.006
   69    HA   LEU   9           HA       LEU   9  65.083   2.264   4.992
   70   1HB   LEU   9           HB2      LEU   9  62.121   2.242   5.608
   71   2HB   LEU   9           HB1      LEU   9  62.957   3.281   4.458
   72    HG   LEU   9           HG       LEU   9  63.178   0.316   4.110
   73   1HD1  LEU   9          HD13      LEU   9  60.730   1.992   3.562
   74   2HD1  LEU   9          HD12      LEU   9  61.080   0.529   2.641
   75   3HD1  LEU   9          HD11      LEU   9  60.827   0.434   4.384
   76   1HD2  LEU   9          HD23      LEU   9  63.172   2.789   2.393
   77   2HD2  LEU   9          HD22      LEU   9  64.434   1.567   2.556
   78   3HD2  LEU   9          HD21      LEU   9  62.947   1.188   1.689
   79    H    GLY  10           HN       GLY  10  64.801   1.291   8.019
   80   1HA   GLY  10           HA2      GLY  10  65.007   2.350  10.105
   81   2HA   GLY  10           HA1      GLY  10  65.417   3.816   9.211
   82    H    VAL  11           HN       VAL  11  62.414   2.270   8.473
   83    HA   VAL  11           HA       VAL  11  60.943   4.616   9.543
   84    HB   VAL  11           HB       VAL  11  59.943   2.238   7.956
   85   1HG1  VAL  11          HG12      VAL  11  58.889   4.896   8.756
   86   2HG1  VAL  11          HG11      VAL  11  58.532   4.377   7.111
   87   3HG1  VAL  11          HG13      VAL  11  58.033   3.381   8.476
   88   1HG2  VAL  11          HG22      VAL  11  61.980   3.600   6.999
   89   2HG2  VAL  11          HG21      VAL  11  60.607   3.231   5.961
   90   3HG2  VAL  11          HG23      VAL  11  60.757   4.830   6.684
   91    H    SER  12           HN       SER  12  58.652   3.943  10.417
   92    HA   SER  12           HA       SER  12  59.074   2.023  12.618
   93   1HB   SER  12           HB2      SER  12  56.966   3.054  13.442
   94   2HB   SER  12           HB1      SER  12  58.190   4.268  13.076
   95    HG   SER  12           HG       SER  12  56.646   5.059  11.874
   96    H    LYS  13           HN       LYS  13  58.402   1.574   9.574
   97    HA   LYS  13           HA       LYS  13  56.890   0.331   8.292
   98   1HB   LYS  13           HB2      LYS  13  57.278  -1.896   8.744
   99   2HB   LYS  13           HB1      LYS  13  58.490  -1.178   9.801
  100   1HG   LYS  13           HG2      LYS  13  56.587  -1.170  11.590
  101   2HG   LYS  13           HG1      LYS  13  55.800  -2.335  10.527
  102   1HD   LYS  13           HD2      LYS  13  57.476  -3.936  10.817
  103   2HD   LYS  13           HD1      LYS  13  58.675  -2.735  11.300
  104   1HE   LYS  13           HE2      LYS  13  56.641  -2.497  13.219
  105   2HE   LYS  13           HE1      LYS  13  56.840  -4.245  12.975
  106   1HZ   LYS  13           HZ3      LYS  13  59.099  -2.350  13.326
  107   2HZ   LYS  13           HZ2      LYS  13  58.445  -3.281  14.587
  108   3HZ   LYS  13           HZ1      LYS  13  59.186  -4.042  13.262
  109    H    THR  14           HN       THR  14  55.774   2.138  10.174
  110    HA   THR  14           HA       THR  14  53.000   1.073  10.331
  111    HB   THR  14           HB       THR  14  52.828   2.252  12.532
  112    HG1  THR  14           HG1      THR  14  54.545   3.734  12.068
  113   1HG2  THR  14          HG23      THR  14  54.441  -0.090  11.953
  114   2HG2  THR  14          HG22      THR  14  54.988   0.711  13.427
  115   3HG2  THR  14          HG21      THR  14  53.311   0.184  13.278
  116    H    ALA  15           HN       ALA  15  55.282   3.739  10.021
  117    HA   ALA  15           HA       ALA  15  53.569   5.964   9.763
  118   1HB   ALA  15           HB3      ALA  15  56.270   5.324   9.633
  119   2HB   ALA  15           HB2      ALA  15  55.914   5.816   7.978
  120   3HB   ALA  15           HB1      ALA  15  55.603   6.925   9.313
  121    H    GLU  16           HN       GLU  16  54.249   6.904   7.184
  122    HA   GLU  16           HA       GLU  16  53.109   4.984   5.238
  123   1HB   GLU  16           HB2      GLU  16  51.881   7.596   6.162
  124   2HB   GLU  16           HB1      GLU  16  51.464   6.876   4.604
  125   1HG   GLU  16           HG2      GLU  16  51.268   4.747   6.388
  126   2HG   GLU  16           HG1      GLU  16  50.596   6.110   7.284
  127    H    GLU  17           HN       GLU  17  52.755   8.119   4.141
  128    HA   GLU  17           HA       GLU  17  55.265   7.962   2.588
  129   1HB   GLU  17           HB2      GLU  17  52.797   8.538   1.844
  130   2HB   GLU  17           HB1      GLU  17  53.216  10.154   2.414
  131   1HG   GLU  17           HG2      GLU  17  54.939  10.403   0.836
  132   2HG   GLU  17           HG1      GLU  17  55.060   8.664   0.557
  133    H    ARG  18           HN       ARG  18  54.343   9.210   5.547
  134    HA   ARG  18           HA       ARG  18  55.740  11.782   5.380
  135   1HB   ARG  18           HB2      ARG  18  55.073  11.912   7.748
  136   2HB   ARG  18           HB1      ARG  18  53.716  11.366   6.762
  137   1HG   ARG  18           HG2      ARG  18  53.615   9.757   8.408
  138   2HG   ARG  18           HG1      ARG  18  54.773   8.970   7.339
  139   1HD   ARG  18           HD2      ARG  18  55.909   8.850   9.380
  140   2HD   ARG  18           HD1      ARG  18  56.530  10.391   8.755
  141    HE   ARG  18           HE       ARG  18  55.337  11.462  10.482
  142   1HH1  ARG  18          HH11      ARG  18  52.615  10.976   9.685
  143   2HH1  ARG  18          HH12      ARG  18  51.984   9.939  10.920
  144   1HH2  ARG  18          HH21      ARG  18  55.106   8.999  12.097
  145   2HH2  ARG  18          HH22      ARG  18  53.394   8.817  12.284
  146    H    GLU  19           HN       GLU  19  56.481   8.520   6.612
  147    HA   GLU  19           HA       GLU  19  59.097   9.575   7.576
  148   1HB   GLU  19           HB2      GLU  19  57.255   7.647   8.523
  149   2HB   GLU  19           HB1      GLU  19  58.704   6.764   8.027
  150   1HG   GLU  19           HG2      GLU  19  60.003   7.721   9.626
  151   2HG   GLU  19           HG1      GLU  19  59.214   9.290   9.463
  152    H    ILE  20           HN       ILE  20  57.626   7.372   5.265
  153    HA   ILE  20           HA       ILE  20  60.084   6.198   4.419
  154    HB   ILE  20           HB       ILE  20  57.299   6.148   3.774
  155   1HG1  ILE  20          HG12      ILE  20  57.963   3.970   2.816
  156   2HG1  ILE  20          HG11      ILE  20  59.654   4.464   2.897
  157   1HG2  ILE  20          HG21      ILE  20  59.136   6.508   1.386
  158   2HG2  ILE  20          HG23      ILE  20  57.537   5.771   1.282
  159   3HG2  ILE  20          HG22      ILE  20  57.701   7.455   1.778
  160   1HD1  ILE  20          HD13      ILE  20  59.386   4.789   5.366
  161   2HD1  ILE  20          HD12      ILE  20  57.757   4.131   5.236
  162   3HD1  ILE  20          HD11      ILE  20  59.149   3.121   4.857
  163    H    ARG  21           HN       ARG  21  58.753   9.346   4.079
  164    HA   ARG  21           HA       ARG  21  60.326   9.986   1.671
  165   1HB   ARG  21           HB2      ARG  21  59.046  11.958   1.650
  166   2HB   ARG  21           HB1      ARG  21  57.950  10.830   2.446
  167   1HG   ARG  21           HG2      ARG  21  58.597  11.661   4.634
  168   2HG   ARG  21           HG1      ARG  21  59.838  12.690   3.918
  169   1HD   ARG  21           HD2      ARG  21  57.513  13.394   2.533
  170   2HD   ARG  21           HD1      ARG  21  56.983  13.210   4.218
  171    HE   ARG  21           HE       ARG  21  58.511  14.943   4.858
  172   1HH1  ARG  21          HH21      ARG  21  60.993  14.873   3.809
  173   2HH1  ARG  21          HH22      ARG  21  61.004  15.856   2.382
  174   1HH2  ARG  21          HH11      ARG  21  57.553  15.851   2.033
  175   2HH2  ARG  21          HH12      ARG  21  59.056  16.407   1.375
  176    H    LYS  22           HN       LYS  22  60.372  10.668   5.138
  177    HA   LYS  22           HA       LYS  22  62.831  12.262   4.927
  178   1HB   LYS  22           HB2      LYS  22  60.921  12.679   6.550
  179   2HB   LYS  22           HB1      LYS  22  61.358  11.169   7.351
  180   1HG   LYS  22           HG2      LYS  22  63.778  12.285   7.348
  181   2HG   LYS  22           HG1      LYS  22  62.830  13.769   7.278
  182   1HD   LYS  22           HD2      LYS  22  63.312  13.088   9.618
  183   2HD   LYS  22           HD1      LYS  22  61.581  13.097   9.276
  184   1HE   LYS  22           HE2      LYS  22  61.399  10.848   9.589
  185   2HE   LYS  22           HE1      LYS  22  62.896  10.519   8.692
  186   1HZ   LYS  22           HZ2      LYS  22  63.075  11.915  11.266
  187   2HZ   LYS  22           HZ1      LYS  22  62.815  10.236  11.284
  188   3HZ   LYS  22           HZ3      LYS  22  64.193  10.871  10.525
  189    H    ALA  23           HN       ALA  23  61.723   9.019   5.574
  190    HA   ALA  23           HA       ALA  23  64.263   8.080   6.720
  191   1HB   ALA  23           HB3      ALA  23  61.936   7.146   7.141
  192   2HB   ALA  23           HB2      ALA  23  61.968   6.515   5.494
  193   3HB   ALA  23           HB1      ALA  23  63.134   5.935   6.683
  194    H    TYR  24           HN       TYR  24  62.530   7.557   3.617
  195    HA   TYR  24           HA       TYR  24  64.546   6.118   2.261
  196   1HB   TYR  24           HB2      TYR  24  62.343   6.398   1.318
  197   2HB   TYR  24           HB1      TYR  24  62.493   8.154   1.359
  198    HD1  TYR  24           HD1      TYR  24  65.466   6.284   0.429
  199    HD2  TYR  24           HD2      TYR  24  61.905   8.151  -1.086
  200    HE1  TYR  24           HE1      TYR  24  66.435   6.281  -1.854
  201    HE2  TYR  24           HE2      TYR  24  62.876   8.147  -3.368
  202    HH   TYR  24           HH       TYR  24  64.985   6.405  -4.467
  203    H    LYS  25           HN       LYS  25  64.006   9.621   2.546
  204    HA   LYS  25           HA       LYS  25  66.343  10.371   0.993
  205   1HB   LYS  25           HB2      LYS  25  64.064  11.583   1.640
  206   2HB   LYS  25           HB1      LYS  25  65.020  12.150   3.011
  207   1HG   LYS  25           HG2      LYS  25  66.802  12.699   1.129
  208   2HG   LYS  25           HG1      LYS  25  65.376  12.716   0.091
  209   1HD   LYS  25           HD2      LYS  25  64.354  14.464   1.331
  210   2HD   LYS  25           HD1      LYS  25  65.465  14.259   2.686
  211   1HE   LYS  25           HE2      LYS  25  67.294  14.817   0.825
  212   2HE   LYS  25           HE1      LYS  25  65.913  15.636   0.066
  213   1HZ   LYS  25           HZ2      LYS  25  66.284  15.956   2.951
  214   2HZ   LYS  25           HZ1      LYS  25  67.331  16.817   1.927
  215   3HZ   LYS  25           HZ3      LYS  25  65.655  17.049   1.814
  216    H    ARG  26           HN       ARG  26  65.581  10.689   4.515
  217    HA   ARG  26           HA       ARG  26  68.100  11.569   5.393
  218   1HB   ARG  26           HB2      ARG  26  66.157  11.329   6.843
  219   2HB   ARG  26           HB1      ARG  26  66.187   9.576   6.649
  220   1HG   ARG  26           HG2      ARG  26  67.279   9.874   8.701
  221   2HG   ARG  26           HG1      ARG  26  68.625   9.766   7.566
  222   1HD   ARG  26           HD2      ARG  26  68.510  12.330   7.411
  223   2HD   ARG  26           HD1      ARG  26  67.465  12.255   8.844
  224    HE   ARG  26           HE       ARG  26  70.305  11.364   8.743
  225   1HH1  ARG  26          HH21      ARG  26  69.043   9.540  10.579
  226   2HH1  ARG  26          HH22      ARG  26  69.000  10.403  12.080
  227   1HH2  ARG  26          HH11      ARG  26  69.521  13.505  10.618
  228   2HH2  ARG  26          HH12      ARG  26  69.271  12.648  12.102
  229    H    LEU  27           HN       LEU  27  67.150   8.244   4.521
  230    HA   LEU  27           HA       LEU  27  69.787   7.191   5.338
  231   1HB   LEU  27           HB2      LEU  27  67.143   6.229   4.898
  232   2HB   LEU  27           HB1      LEU  27  68.209   5.376   3.780
  233    HG   LEU  27           HG       LEU  27  68.065   4.200   5.957
  234   1HD1  LEU  27          HD12      LEU  27  70.690   5.504   5.205
  235   2HD1  LEU  27          HD11      LEU  27  70.581   4.272   6.463
  236   3HD1  LEU  27          HD13      LEU  27  70.128   3.881   4.804
  237   1HD2  LEU  27          HD21      LEU  27  68.456   6.928   6.918
  238   2HD2  LEU  27          HD23      LEU  27  67.871   5.510   7.790
  239   3HD2  LEU  27          HD22      LEU  27  69.604   5.807   7.650
  240    H    ALA  28           HN       ALA  28  68.071   8.071   2.369
  241    HA   ALA  28           HA       ALA  28  70.048   6.898   0.586
  242   1HB   ALA  28           HB3      ALA  28  67.769   8.853   0.360
  243   2HB   ALA  28           HB2      ALA  28  68.796   8.482  -1.025
  244   3HB   ALA  28           HB1      ALA  28  67.858   7.202  -0.254
  245    H    MET  29           HN       MET  29  69.540   9.983   2.176
  246    HA   MET  29           HA       MET  29  71.202  11.727   0.752
  247   1HB   MET  29           HB2      MET  29  70.796  11.198   3.700
  248   2HB   MET  29           HB1      MET  29  71.697  12.594   3.106
  249   1HG   MET  29           HG2      MET  29  69.270  12.466   1.628
  250   2HG   MET  29           HG1      MET  29  68.856  12.277   3.331
  251   1HE   MET  29           HE1      MET  29  69.595  13.377   5.049
  252   2HE   MET  29           HE3      MET  29  70.665  14.783   5.129
  253   3HE   MET  29           HE2      MET  29  68.920  15.005   5.027
  254    H    LYS  30           HN       LYS  30  72.012   9.323   3.183
  255    HA   LYS  30           HA       LYS  30  74.807   9.584   3.395
  256   1HB   LYS  30           HB2      LYS  30  72.639   7.692   3.878
  257   2HB   LYS  30           HB1      LYS  30  74.143   6.866   3.463
  258   1HG   LYS  30           HG2      LYS  30  74.996   7.294   5.497
  259   2HG   LYS  30           HG1      LYS  30  74.724   9.023   5.274
  260   1HD   LYS  30           HD2      LYS  30  72.555   8.924   6.209
  261   2HD   LYS  30           HD1      LYS  30  72.458   7.174   6.015
  262   1HE   LYS  30           HE2      LYS  30  74.560   8.411   7.800
  263   2HE   LYS  30           HE1      LYS  30  72.927   8.065   8.403
  264   1HZ   LYS  30           HZ1      LYS  30  73.446   5.830   7.059
  265   2HZ   LYS  30           HZ3      LYS  30  75.017   6.224   7.567
  266   3HZ   LYS  30           HZ2      LYS  30  73.781   6.014   8.715
  267    H    TYR  31           HN       TYR  31  72.839   8.489   0.791
  268    HA   TYR  31           HA       TYR  31  75.230   7.321  -0.604
  269   1HB   TYR  31           HB2      TYR  31  72.331   6.795  -1.271
  270   2HB   TYR  31           HB1      TYR  31  73.737   5.789  -1.625
  271    HD1  TYR  31           HD2      TYR  31  75.125   5.852   1.015
  272    HD2  TYR  31           HD1      TYR  31  70.968   5.384   0.048
  273    HE1  TYR  31           HE2      TYR  31  74.773   4.609   3.133
  274    HE2  TYR  31           HE1      TYR  31  70.613   4.143   2.165
  275    HH   TYR  31           HH       TYR  31  72.435   2.668   3.758
  276    H    HIS  32           HN       HIS  32  72.317   9.324  -1.025
  277    HA   HIS  32           HA       HIS  32  72.025  10.032  -3.570
  278   1HB   HIS  32           HB2      HIS  32  72.105  11.468  -1.045
  279   2HB   HIS  32           HB1      HIS  32  72.503  12.530  -2.401
  280    HD1  HIS  32           HD1      HIS  32  69.960   9.700  -1.980
  281    HD2  HIS  32           HD2      HIS  32  70.152  13.653  -3.290
  282    HE1  HIS  32           HE1      HIS  32  67.631  10.307  -2.767
  283    HA   PRO  33           HA       PRO  33  76.341  10.501  -4.886
  284   1HB   PRO  33           HB2      PRO  33  75.669  10.532  -7.570
  285   2HB   PRO  33           HB1      PRO  33  75.880   9.051  -6.624
  286   1HG   PRO  33           HG2      PRO  33  73.360  10.524  -7.265
  287   2HG   PRO  33           HG1      PRO  33  73.715   8.789  -7.405
  288   1HD   PRO  33           HD2      PRO  33  72.381   9.689  -5.311
  289   2HD   PRO  33           HD1      PRO  33  73.649   8.460  -5.090
  290    H    ASP  34           HN       ASP  34  76.117  12.181  -7.540
  291    HA   ASP  34           HA       ASP  34  76.040  14.501  -8.070
  292   1HB   ASP  34           HB2      ASP  34  73.785  14.020  -6.653
  293   2HB   ASP  34           HB1      ASP  34  74.613  15.062  -5.495
  294    H    ARG  35           HN       ARG  35  76.046  14.355  -4.517
  295    HA   ARG  35           HA       ARG  35  78.615  15.845  -4.420
  296   1HB   ARG  35           HB2      ARG  35  77.843  16.348  -2.182
  297   2HB   ARG  35           HB1      ARG  35  76.467  16.573  -3.255
  298   1HG   ARG  35           HG2      ARG  35  76.113  13.974  -2.691
  299   2HG   ARG  35           HG1      ARG  35  76.965  14.442  -1.218
  300   1HD   ARG  35           HD2      ARG  35  75.311  16.345  -0.961
  301   2HD   ARG  35           HD1      ARG  35  74.390  15.634  -2.300
  302    HE   ARG  35           HE       ARG  35  74.529  13.467  -0.821
  303   1HH1  ARG  35          HH21      ARG  35  75.393  13.888   1.674
  304   2HH1  ARG  35          HH22      ARG  35  74.156  14.719   2.557
  305   1HH2  ARG  35          HH11      ARG  35  72.464  15.767  -0.284
  306   2HH2  ARG  35          HH12      ARG  35  72.496  15.784   1.448
  307    H    ASN  36           HN       ASN  36  77.042  12.809  -3.859
  308    HA   ASN  36           HA       ASN  36  79.345  11.717  -2.311
  309   1HB   ASN  36           HB2      ASN  36  76.519  10.713  -2.869
  310   2HB   ASN  36           HB1      ASN  36  77.693   9.934  -1.803
  311   1HD2  ASN  36          HD22      ASN  36  77.432  12.432   0.770
  312   2HD2  ASN  36          HD21      ASN  36  78.512  11.318   0.079
  313    H    GLN  37           HN       GLN  37  80.206  11.977  -4.875
  314    HA   GLN  37           HA       GLN  37  79.419   9.665  -6.499
  315   1HB   GLN  37           HB2      GLN  37  81.314  11.971  -6.724
  316   2HB   GLN  37           HB1      GLN  37  81.489  10.604  -7.822
  317   1HG   GLN  37           HG2      GLN  37  79.496  11.017  -8.886
  318   2HG   GLN  37           HG1      GLN  37  78.742  11.687  -7.439
  319   1HE2  GLN  37          HE22      GLN  37  79.600  14.429  -9.936
  320   2HE2  GLN  37          HE21      GLN  37  78.789  12.949 -10.119
  321    H    GLY  38           HN       GLY  38  81.225   9.884  -3.773
  322   1HA   GLY  38           HA2      GLY  38  83.379   8.044  -4.646
  323   2HA   GLY  38           HA1      GLY  38  83.192   8.722  -3.021
  324    H    ASP  39           HN       ASP  39  80.269   7.661  -4.327
  325    HA   ASP  39           HA       ASP  39  80.437   4.895  -3.270
  326   1HB   ASP  39           HB2      ASP  39  79.629   7.121  -1.752
  327   2HB   ASP  39           HB1      ASP  39  78.129   6.330  -2.236
  328    H    LYS  40           HN       LYS  40  79.782   6.607  -5.780
  329    HA   LYS  40           HA       LYS  40  77.146   6.622  -6.570
  330   1HB   LYS  40           HB2      LYS  40  79.471   5.634  -8.182
  331   2HB   LYS  40           HB1      LYS  40  78.019   6.385  -8.818
  332   1HG   LYS  40           HG2      LYS  40  78.549   8.415  -7.493
  333   2HG   LYS  40           HG1      LYS  40  80.074   7.673  -7.029
  334   1HD   LYS  40           HD2      LYS  40  79.608   7.561  -9.911
  335   2HD   LYS  40           HD1      LYS  40  79.690   9.211  -9.289
  336   1HE   LYS  40           HE2      LYS  40  81.867   8.911  -8.431
  337   2HE   LYS  40           HE1      LYS  40  81.732   7.144  -8.468
  338   1HZ   LYS  40           HZ3      LYS  40  81.236   7.691 -11.005
  339   2HZ   LYS  40           HZ2      LYS  40  82.241   9.015 -10.654
  340   3HZ   LYS  40           HZ1      LYS  40  82.812   7.431 -10.432
  341    H    GLU  41           HN       GLU  41  79.128   3.830  -5.962
  342    HA   GLU  41           HA       GLU  41  77.558   1.834  -7.311
  343   1HB   GLU  41           HB2      GLU  41  79.884   1.951  -5.859
  344   2HB   GLU  41           HB1      GLU  41  78.806   1.151  -4.714
  345   1HG   GLU  41           HG2      GLU  41  78.156  -0.266  -6.879
  346   2HG   GLU  41           HG1      GLU  41  79.781   0.210  -7.377
  347    H    ALA  42           HN       ALA  42  76.843   3.858  -4.668
  348    HA   ALA  42           HA       ALA  42  75.064   2.094  -3.194
  349   1HB   ALA  42           HB2      ALA  42  76.269   4.328  -2.534
  350   2HB   ALA  42           HB1      ALA  42  74.904   5.108  -3.336
  351   3HB   ALA  42           HB3      ALA  42  74.628   4.060  -1.944
  352    H    GLU  43           HN       GLU  43  74.965   3.784  -6.159
  353    HA   GLU  43           HA       GLU  43  72.371   4.619  -6.596
  354   1HB   GLU  43           HB2      GLU  43  73.987   4.782  -8.313
  355   2HB   GLU  43           HB1      GLU  43  74.412   3.075  -8.191
  356   1HG   GLU  43           HG2      GLU  43  72.299   2.412  -9.179
  357   2HG   GLU  43           HG1      GLU  43  71.709   4.074  -9.140
  358    H    ALA  44           HN       ALA  44  73.599   1.297  -6.401
  359    HA   ALA  44           HA       ALA  44  71.100  -0.029  -7.109
  360   1HB   ALA  44           HB1      ALA  44  73.742  -0.722  -5.836
  361   2HB   ALA  44           HB3      ALA  44  72.427  -1.894  -5.770
  362   3HB   ALA  44           HB2      ALA  44  73.035  -1.340  -7.330
  363    H    LYS  45           HN       LYS  45  72.593   1.090  -4.066
  364    HA   LYS  45           HA       LYS  45  70.923  -0.156  -2.195
  365   1HB   LYS  45           HB2      LYS  45  72.708   2.053  -2.316
  366   2HB   LYS  45           HB1      LYS  45  71.236   2.623  -1.518
  367   1HG   LYS  45           HG2      LYS  45  71.892   1.569   0.351
  368   2HG   LYS  45           HG1      LYS  45  71.750   0.033  -0.507
  369   1HD   LYS  45           HD2      LYS  45  74.157   1.338  -1.352
  370   2HD   LYS  45           HD1      LYS  45  74.125   1.295   0.412
  371   1HE   LYS  45           HE2      LYS  45  73.266  -1.222  -0.101
  372   2HE   LYS  45           HE1      LYS  45  74.296  -0.957  -1.522
  373   1HZ   LYS  45           HZ3      LYS  45  75.090  -0.423   1.293
  374   2HZ   LYS  45           HZ2      LYS  45  75.584  -1.768   0.380
  375   3HZ   LYS  45           HZ1      LYS  45  76.067  -0.204  -0.074
  376    H    PHE  46           HN       PHE  46  70.145   2.303  -4.564
  377    HA   PHE  46           HA       PHE  46  67.716   3.311  -3.444
  378   1HB   PHE  46           HB2      PHE  46  68.660   2.738  -6.277
  379   2HB   PHE  46           HB1      PHE  46  67.148   3.576  -5.936
  380    HD1  PHE  46           HD1      PHE  46  69.531   4.246  -3.385
  381    HD2  PHE  46           HD2      PHE  46  68.430   5.368  -7.383
  382    HE1  PHE  46           HE1      PHE  46  70.765   6.380  -3.127
  383    HE2  PHE  46           HE2      PHE  46  69.665   7.501  -7.123
  384    HZ   PHE  46           HZ       PHE  46  70.832   8.008  -4.997
  385    H    LYS  47           HN       LYS  47  68.557   0.336  -5.103
  386    HA   LYS  47           HA       LYS  47  65.951  -0.713  -5.438
  387   1HB   LYS  47           HB2      LYS  47  67.186  -2.577  -6.216
  388   2HB   LYS  47           HB1      LYS  47  68.342  -1.270  -6.437
  389   1HG   LYS  47           HG2      LYS  47  69.782  -2.343  -5.114
  390   2HG   LYS  47           HG1      LYS  47  68.641  -2.251  -3.773
  391   1HD   LYS  47           HD2      LYS  47  68.535  -4.500  -3.944
  392   2HD   LYS  47           HD1      LYS  47  67.535  -4.199  -5.366
  393   1HE   LYS  47           HE2      LYS  47  69.506  -4.265  -6.814
  394   2HE   LYS  47           HE1      LYS  47  70.557  -4.502  -5.403
  395   1HZ   LYS  47           HZ1      LYS  47  68.279  -6.284  -5.544
  396   2HZ   LYS  47           HZ3      LYS  47  69.417  -6.513  -6.780
  397   3HZ   LYS  47           HZ2      LYS  47  69.897  -6.624  -5.154
  398    H    GLU  48           HN       GLU  48  67.853  -0.075  -2.708
  399    HA   GLU  48           HA       GLU  48  66.713  -2.255  -1.116
  400   1HB   GLU  48           HB2      GLU  48  68.468   0.073  -0.283
  401   2HB   GLU  48           HB1      GLU  48  68.225  -1.430   0.607
  402   1HG   GLU  48           HG2      GLU  48  69.350  -1.409  -2.196
  403   2HG   GLU  48           HG1      GLU  48  70.385  -1.243  -0.777
  404    H    ILE  49           HN       ILE  49  66.402   1.198  -1.643
  405    HA   ILE  49           HA       ILE  49  64.233   1.284   0.402
  406    HB   ILE  49           HB       ILE  49  65.795   3.427  -1.063
  407   1HG1  ILE  49          HG12      ILE  49  66.263   3.663   1.650
  408   2HG1  ILE  49          HG11      ILE  49  66.223   1.913   1.407
  409   1HG2  ILE  49          HG22      ILE  49  63.413   3.474   0.700
  410   2HG2  ILE  49          HG21      ILE  49  64.652   4.684   1.033
  411   3HG2  ILE  49          HG23      ILE  49  63.905   4.600  -0.562
  412   1HD1  ILE  49          HD11      ILE  49  67.688   3.512  -0.621
  413   2HD1  ILE  49          HD13      ILE  49  68.438   3.370   0.968
  414   3HD1  ILE  49          HD12      ILE  49  68.059   1.918   0.039
  415    H    LYS  50           HN       LYS  50  64.991   2.432  -2.917
  416    HA   LYS  50           HA       LYS  50  62.251   3.156  -3.411
  417   1HB   LYS  50           HB2      LYS  50  64.005   4.214  -4.654
  418   2HB   LYS  50           HB1      LYS  50  64.694   2.663  -5.135
  419   1HG   LYS  50           HG2      LYS  50  63.225   2.397  -6.847
  420   2HG   LYS  50           HG1      LYS  50  61.874   3.038  -5.912
  421   1HD   LYS  50           HD2      LYS  50  62.947   5.339  -6.193
  422   2HD   LYS  50           HD1      LYS  50  64.007   4.590  -7.389
  423   1HE   LYS  50           HE2      LYS  50  61.746   3.697  -8.417
  424   2HE   LYS  50           HE1      LYS  50  61.042   5.062  -7.526
  425   1HZ   LYS  50           HZ1      LYS  50  63.378   5.238  -9.355
  426   2HZ   LYS  50           HZ3      LYS  50  61.802   5.722  -9.749
  427   3HZ   LYS  50           HZ2      LYS  50  62.656   6.534  -8.525
  428    H    GLU  51           HN       GLU  51  64.065   0.147  -3.691
  429    HA   GLU  51           HA       GLU  51  61.926  -1.074  -5.353
  430   1HB   GLU  51           HB2      GLU  51  63.904  -2.024  -6.012
  431   2HB   GLU  51           HB1      GLU  51  64.688  -1.498  -4.551
  432   1HG   GLU  51           HG2      GLU  51  64.746  -3.897  -4.516
  433   2HG   GLU  51           HG1      GLU  51  63.534  -3.403  -3.334
  434    H    ALA  52           HN       ALA  52  63.120  -0.927  -2.065
  435    HA   ALA  52           HA       ALA  52  61.264  -2.991  -1.047
  436   1HB   ALA  52           HB1      ALA  52  63.717  -2.342  -0.341
  437   2HB   ALA  52           HB3      ALA  52  62.917  -1.066   0.577
  438   3HB   ALA  52           HB2      ALA  52  62.550  -2.756   0.911
  439    H    TYR  53           HN       TYR  53  61.874   0.479  -0.549
  440    HA   TYR  53           HA       TYR  53  59.418   0.935   0.924
  441   1HB   TYR  53           HB2      TYR  53  60.661   2.700   1.542
  442   2HB   TYR  53           HB1      TYR  53  61.925   2.124   0.487
  443    HD1  TYR  53           HD2      TYR  53  60.844   2.688  -2.205
  444    HD2  TYR  53           HD1      TYR  53  60.649   4.998   1.407
  445    HE1  TYR  53           HE2      TYR  53  60.721   4.763  -3.541
  446    HE2  TYR  53           HE1      TYR  53  60.533   7.077   0.073
  447    HH   TYR  53           HH       TYR  53  59.646   7.564  -2.493
  448    H    GLU  54           HN       GLU  54  59.743   0.205  -2.228
  449    HA   GLU  54           HA       GLU  54  58.103   2.286  -3.458
  450   1HB   GLU  54           HB2      GLU  54  59.214   1.282  -5.171
  451   2HB   GLU  54           HB1      GLU  54  59.622  -0.105  -4.168
  452   1HG   GLU  54           HG2      GLU  54  57.711  -1.292  -4.800
  453   2HG   GLU  54           HG1      GLU  54  56.829   0.169  -5.245
  454    H    VAL  55           HN       VAL  55  57.556  -0.560  -1.569
  455    HA   VAL  55           HA       VAL  55  54.685  -0.618  -2.372
  456    HB   VAL  55           HB       VAL  55  54.931  -2.880  -2.353
  457   1HG1  VAL  55          HG13      VAL  55  57.286  -2.179  -2.980
  458   2HG1  VAL  55          HG12      VAL  55  57.729  -2.587  -1.322
  459   3HG1  VAL  55          HG11      VAL  55  57.071  -3.825  -2.391
  460   1HG2  VAL  55          HG21      VAL  55  55.846  -2.385   0.481
  461   2HG2  VAL  55          HG23      VAL  55  54.363  -3.159  -0.079
  462   3HG2  VAL  55          HG22      VAL  55  55.905  -4.002  -0.212
  463    H    LEU  56           HN       LEU  56  56.241   1.129  -0.350
  464    HA   LEU  56           HA       LEU  56  54.701   0.451   2.099
  465   1HB   LEU  56           HB2      LEU  56  57.157   1.909   1.320
  466   2HB   LEU  56           HB1      LEU  56  56.282   2.578   2.702
  467    HG   LEU  56           HG       LEU  56  56.391   0.478   3.881
  468   1HD1  LEU  56          HD13      LEU  56  56.017  -0.978   1.913
  469   2HD1  LEU  56          HD12      LEU  56  57.656  -0.639   1.358
  470   3HD1  LEU  56          HD11      LEU  56  57.399  -1.525   2.860
  471   1HD2  LEU  56          HD21      LEU  56  58.924   1.472   2.618
  472   2HD2  LEU  56          HD23      LEU  56  58.409   1.558   4.297
  473   3HD2  LEU  56          HD22      LEU  56  58.987   0.033   3.634
  474    H    THR  57           HN       THR  57  53.620   1.692  -0.483
  475    HA   THR  57           HA       THR  57  52.074   3.854   0.815
  476    HB   THR  57           HB       THR  57  53.311   5.532  -0.097
  477    HG1  THR  57           HG1      THR  57  53.501   5.466  -2.495
  478   1HG2  THR  57          HG21      THR  57  54.879   3.284  -1.392
  479   2HG2  THR  57          HG23      THR  57  55.349   4.980  -1.497
  480   3HG2  THR  57          HG22      THR  57  55.301   4.174   0.072
  481    H    ASP  58           HN       ASP  58  51.861   1.127  -0.732
  482    HA   ASP  58           HA       ASP  58  49.770   2.063  -2.671
  483   1HB   ASP  58           HB2      ASP  58  51.816   1.193  -3.732
  484   2HB   ASP  58           HB1      ASP  58  51.682  -0.311  -2.802
  485    H    SER  59           HN       SER  59  47.767   1.013  -2.550
  486    HA   SER  59           HA       SER  59  46.768  -0.204  -0.269
  487   1HB   SER  59           HB2      SER  59  45.301   0.385  -2.058
  488   2HB   SER  59           HB1      SER  59  46.193  -0.602  -3.214
  489    HG   SER  59           HG       SER  59  44.830  -2.110  -2.706
  490    H    GLN  60           HN       GLN  60  47.575  -2.173  -3.145
  491    HA   GLN  60           HA       GLN  60  47.905  -4.634  -1.682
  492   1HB   GLN  60           HB2      GLN  60  48.821  -5.372  -3.847
  493   2HB   GLN  60           HB1      GLN  60  47.438  -4.315  -4.148
  494   1HG   GLN  60           HG2      GLN  60  49.577  -2.549  -3.930
  495   2HG   GLN  60           HG1      GLN  60  50.255  -3.911  -4.821
  496   1HE2  GLN  60          HE22      GLN  60  46.900  -2.258  -6.543
  497   2HE2  GLN  60          HE21      GLN  60  46.909  -2.564  -4.874
  498    H    LYS  61           HN       LYS  61  50.659  -4.833  -3.283
  499    HA   LYS  61           HA       LYS  61  52.934  -4.653  -2.688
  500   1HB   LYS  61           HB2      LYS  61  51.639  -2.059  -1.815
  501   2HB   LYS  61           HB1      LYS  61  53.378  -2.274  -1.877
  502   1HG   LYS  61           HG2      LYS  61  52.611  -3.265  -4.316
  503   2HG   LYS  61           HG1      LYS  61  51.450  -1.968  -4.074
  504   1HD   LYS  61           HD2      LYS  61  53.284  -0.373  -3.687
  505   2HD   LYS  61           HD1      LYS  61  54.459  -1.675  -3.881
  506   1HE   LYS  61           HE2      LYS  61  54.106  -1.841  -6.172
  507   2HE   LYS  61           HE1      LYS  61  52.449  -1.214  -6.063
  508   1HZ   LYS  61           HZ1      LYS  61  53.440   0.921  -5.293
  509   2HZ   LYS  61           HZ3      LYS  61  54.972   0.307  -5.683
  510   3HZ   LYS  61           HZ2      LYS  61  53.812   0.534  -6.904
  511    H    ARG  62           HN       ARG  62  51.696  -2.744   0.012
  512    HA   ARG  62           HA       ARG  62  53.222  -3.748   2.074
  513   1HB   ARG  62           HB2      ARG  62  50.317  -2.923   1.902
  514   2HB   ARG  62           HB1      ARG  62  51.098  -3.245   3.450
  515   1HG   ARG  62           HG2      ARG  62  52.223  -1.301   1.423
  516   2HG   ARG  62           HG1      ARG  62  51.113  -0.810   2.702
  517   1HD   ARG  62           HD2      ARG  62  53.784  -2.194   3.143
  518   2HD   ARG  62           HD1      ARG  62  53.454  -0.472   3.424
  519    HE   ARG  62           HE       ARG  62  51.833  -1.144   5.168
  520   1HH1  ARG  62          HH11      ARG  62  54.611  -2.947   4.746
  521   2HH1  ARG  62          HH12      ARG  62  54.090  -4.311   5.678
  522   1HH2  ARG  62          HH21      ARG  62  50.828  -3.181   5.996
  523   2HH2  ARG  62          HH22      ARG  62  51.948  -4.444   6.386
  524    H    ALA  63           HN       ALA  63  50.427  -5.269   0.555
  525    HA   ALA  63           HA       ALA  63  50.644  -7.610   2.399
  526   1HB   ALA  63           HB2      ALA  63  48.578  -6.343   0.652
  527   2HB   ALA  63           HB1      ALA  63  48.484  -8.093   0.858
  528   3HB   ALA  63           HB3      ALA  63  48.404  -7.033   2.266
  529    H    ALA  64           HN       ALA  64  51.312  -6.497  -0.797
  530    HA   ALA  64           HA       ALA  64  51.494  -9.166  -2.020
  531   1HB   ALA  64           HB3      ALA  64  52.268  -6.374  -2.925
  532   2HB   ALA  64           HB2      ALA  64  52.216  -7.795  -3.967
  533   3HB   ALA  64           HB1      ALA  64  50.730  -7.170  -3.253
  534    H    TYR  65           HN       TYR  65  53.691  -6.646  -0.805
  535    HA   TYR  65           HA       TYR  65  56.052  -8.235  -1.624
  536   1HB   TYR  65           HB2      TYR  65  55.348  -5.524  -1.103
  537   2HB   TYR  65           HB1      TYR  65  56.645  -5.960   0.001
  538    HD1  TYR  65           HD2      TYR  65  55.751  -6.762  -3.558
  539    HD2  TYR  65           HD1      TYR  65  58.779  -5.467  -0.800
  540    HE1  TYR  65           HE2      TYR  65  57.386  -6.627  -5.417
  541    HE2  TYR  65           HE1      TYR  65  60.414  -5.333  -2.659
  542    HH   TYR  65           HH       TYR  65  60.731  -5.530  -4.843
  543    H    ASP  66           HN       ASP  66  54.304  -7.289   1.312
  544    HA   ASP  66           HA       ASP  66  56.262  -8.243   3.171
  545   1HB   ASP  66           HB2      ASP  66  54.543  -7.873   4.771
  546   2HB   ASP  66           HB1      ASP  66  54.184  -6.726   3.481
  547    H    GLN  67           HN       GLN  67  53.975  -9.840   1.116
  548    HA   GLN  67           HA       GLN  67  54.147 -12.377   2.668
  549   1HB   GLN  67           HB2      GLN  67  52.289 -13.044   1.286
  550   2HB   GLN  67           HB1      GLN  67  51.989 -11.372   1.764
  551   1HG   GLN  67           HG2      GLN  67  51.617 -11.155  -0.497
  552   2HG   GLN  67           HG1      GLN  67  53.364 -10.897  -0.487
  553   1HE2  GLN  67          HE22      GLN  67  52.408 -13.624  -2.958
  554   2HE2  GLN  67          HE21      GLN  67  51.820 -12.049  -2.725
  555    H    TYR  68           HN       TYR  68  55.346 -10.827  -0.232
  556    HA   TYR  68           HA       TYR  68  56.288 -13.373  -1.413
  557   1HB   TYR  68           HB2      TYR  68  55.696 -10.685  -2.233
  558   2HB   TYR  68           HB1      TYR  68  57.358 -11.062  -2.693
  559    HD1  TYR  68           HD2      TYR  68  57.529 -13.721  -3.482
  560    HD2  TYR  68           HD1      TYR  68  54.145 -11.110  -3.910
  561    HE1  TYR  68           HE2      TYR  68  56.696 -15.108  -5.361
  562    HE2  TYR  68           HE1      TYR  68  53.312 -12.498  -5.789
  563    HH   TYR  68           HH       TYR  68  54.150 -15.488  -6.376
  564    H    GLY  69           HN       GLY  69  58.751 -12.336  -2.463
  565   1HA   GLY  69           HA2      GLY  69  60.729 -11.187  -1.174
  566   2HA   GLY  69           HA1      GLY  69  60.415 -12.464   0.003
  567    H    HIS  70           HN       HIS  70  59.936 -14.654  -1.583
  568    HA   HIS  70           HA       HIS  70  62.125 -14.887  -3.568
  569   1HB   HIS  70           HB2      HIS  70  62.489 -15.469  -0.852
  570   2HB   HIS  70           HB1      HIS  70  62.262 -17.039  -1.621
  571    HD1  HIS  70           HD1      HIS  70  64.604 -14.128  -1.469
  572    HD2  HIS  70           HD2      HIS  70  64.261 -17.714  -3.566
  573    HE1  HIS  70           HE1      HIS  70  66.828 -14.499  -2.624
  574    H    ALA  71           HN       ALA  71  60.336 -15.404  -5.004
  575    HA   ALA  71           HA       ALA  71  58.767 -16.869  -6.016
  576   1HB   ALA  71           HB3      ALA  71  61.130 -18.022  -5.778
  577   2HB   ALA  71           HB2      ALA  71  60.290 -19.050  -4.617
  578   3HB   ALA  71           HB1      ALA  71  59.741 -18.980  -6.292
  579    H    ALA  72           HN       ALA  72  58.272 -15.949  -3.165
  580    HA   ALA  72           HA       ALA  72  57.310 -17.764  -1.348
  581   1HB   ALA  72           HB2      ALA  72  57.150 -15.159  -1.560
  582   2HB   ALA  72           HB1      ALA  72  55.563 -15.485  -2.257
  583   3HB   ALA  72           HB3      ALA  72  55.928 -16.009  -0.613
  584    H    PHE  73           HN       PHE  73  55.118 -16.456  -3.870
  585    HA   PHE  73           HA       PHE  73  53.765 -19.135  -3.917
  586   1HB   PHE  73           HB2      PHE  73  52.840 -16.485  -3.294
  587   2HB   PHE  73           HB1      PHE  73  52.019 -17.046  -4.751
  588    HD1  PHE  73           HD1      PHE  73  52.657 -17.748  -1.179
  589    HD2  PHE  73           HD2      PHE  73  50.516 -18.945  -4.703
  590    HE1  PHE  73           HE1      PHE  73  51.215 -19.222   0.199
  591    HE2  PHE  73           HE2      PHE  73  49.073 -20.418  -3.325
  592    HZ   PHE  73           HZ       PHE  73  49.423 -20.558  -0.875
  593    H    GLU  74           HN       GLU  74  54.323 -20.065  -5.860
  594    HA   GLU  74           HA       GLU  74  54.007 -18.408  -8.328
  595   1HB   GLU  74           HB2      GLU  74  56.113 -19.375  -9.164
  596   2HB   GLU  74           HB1      GLU  74  56.394 -18.546  -7.633
  597   1HG   GLU  74           HG2      GLU  74  57.051 -20.455  -6.631
  598   2HG   GLU  74           HG1      GLU  74  55.623 -21.315  -7.204
  599    H    GLN  75           HN       GLN  75  51.913 -19.878  -7.871
  600    HA   GLN  75           HA       GLN  75  52.336 -22.606  -9.025
  601   1HB   GLN  75           HB2      GLN  75  50.464 -21.298  -7.119
  602   2HB   GLN  75           HB1      GLN  75  49.774 -22.555  -8.146
  603   1HG   GLN  75           HG2      GLN  75  51.733 -24.029  -7.453
  604   2HG   GLN  75           HG1      GLN  75  52.109 -22.807  -6.237
  605   1HE2  GLN  75          HE22      GLN  75  48.744 -23.405  -4.695
  606   2HE2  GLN  75          HE21      GLN  75  49.493 -22.069  -5.426
  607    H    GLY  76           HN       GLY  76  52.526 -21.559 -11.222
  608   1HA   GLY  76           HA2      GLY  76  51.031 -21.802 -13.216
  609   2HA   GLY  76           HA1      GLY  76  49.817 -20.899 -12.307
  610    H    GLY  77           HN       GLY  77  51.771 -18.995 -11.212
  611   1HA   GLY  77           HA2      GLY  77  53.422 -17.650 -12.949
  612   2HA   GLY  77           HA1      GLY  77  51.815 -17.154 -13.484
   
  No H/Q in entry =         612
  Start of MODEL   10
    1   1H    ALA   1           HT2      ALA   1  68.048 -11.368   7.566
    2   2H    ALA   1           HT1      ALA   1  69.313 -12.282   8.238
    3   3H    ALA   1           HT3      ALA   1  69.382 -11.810   6.610
    4    HA   ALA   1           HA       ALA   1  68.638 -13.916   6.263
    5   1HB   ALA   1           HB3      ALA   1  68.913 -14.370   8.676
    6   2HB   ALA   1           HB2      ALA   1  67.350 -13.617   8.997
    7   3HB   ALA   1           HB1      ALA   1  67.434 -15.115   8.069
    8    H    LYS   2           HN       LYS   2  65.980 -12.475   8.192
    9    HA   LYS   2           HA       LYS   2  64.436 -11.967   5.708
   10   1HB   LYS   2           HB2      LYS   2  64.258 -14.359   7.194
   11   2HB   LYS   2           HB1      LYS   2  62.820 -13.431   7.617
   12   1HG   LYS   2           HG2      LYS   2  63.742 -14.069   4.798
   13   2HG   LYS   2           HG1      LYS   2  62.393 -14.833   5.637
   14   1HD   LYS   2           HD2      LYS   2  61.165 -12.765   5.716
   15   2HD   LYS   2           HD1      LYS   2  62.561 -11.851   5.144
   16   1HE   LYS   2           HE2      LYS   2  62.469 -13.274   3.019
   17   2HE   LYS   2           HE1      LYS   2  60.880 -13.830   3.582
   18   1HZ   LYS   2           HZ3      LYS   2  60.407 -11.370   3.958
   19   2HZ   LYS   2           HZ2      LYS   2  61.747 -11.072   2.955
   20   3HZ   LYS   2           HZ1      LYS   2  60.402 -11.921   2.354
   21    H    GLN   3           HN       GLN   3  64.718  -9.735   6.588
   22    HA   GLN   3           HA       GLN   3  62.911  -9.175   8.924
   23   1HB   GLN   3           HB2      GLN   3  65.228  -7.537   7.848
   24   2HB   GLN   3           HB1      GLN   3  64.380  -7.301   9.377
   25   1HG   GLN   3           HG2      GLN   3  65.841  -9.863   8.701
   26   2HG   GLN   3           HG1      GLN   3  66.615  -8.517   9.539
   27   1HE2  GLN   3          HE22      GLN   3  65.458 -10.277  12.442
   28   2HE2  GLN   3          HE21      GLN   3  66.806 -10.044  11.436
   29    H    ASP   4           HN       ASP   4  61.237  -7.813   8.568
   30    HA   ASP   4           HA       ASP   4  60.112  -7.216   6.119
   31   1HB   ASP   4           HB2      ASP   4  59.321  -6.895   8.540
   32   2HB   ASP   4           HB1      ASP   4  60.134  -5.332   8.482
   33    H    TYR   5           HN       TYR   5  60.061  -5.178   4.851
   34    HA   TYR   5           HA       TYR   5  62.713  -3.798   4.888
   35   1HB   TYR   5           HB2      TYR   5  61.148  -3.244   2.532
   36   2HB   TYR   5           HB1      TYR   5  62.683  -4.099   2.659
   37    HD1  TYR   5           HD1      TYR   5  62.699  -6.565   3.109
   38    HD2  TYR   5           HD2      TYR   5  59.081  -4.426   2.225
   39    HE1  TYR   5           HE1      TYR   5  61.563  -8.705   2.597
   40    HE2  TYR   5           HE2      TYR   5  57.943  -6.570   1.711
   41    HH   TYR   5           HH       TYR   5  59.492  -9.663   2.335
   42    H    TYR   6           HN       TYR   6  60.003  -3.234   6.365
   43    HA   TYR   6           HA       TYR   6  59.326  -0.540   5.398
   44   1HB   TYR   6           HB2      TYR   6  57.440  -0.985   6.571
   45   2HB   TYR   6           HB1      TYR   6  58.089  -2.600   6.814
   46    HD1  TYR   6           HD1      TYR   6  58.688   0.834   8.260
   47    HD2  TYR   6           HD2      TYR   6  58.020  -3.342   9.005
   48    HE1  TYR   6           HE1      TYR   6  58.796   1.245  10.695
   49    HE2  TYR   6           HE2      TYR   6  58.126  -2.918  11.444
   50    HH   TYR   6           HH       TYR   6  58.935  -1.342  13.003
   51    H    GLU   7           HN       GLU   7  60.729  -2.007   8.308
   52    HA   GLU   7           HA       GLU   7  61.576   0.446   9.525
   53   1HB   GLU   7           HB2      GLU   7  61.583  -2.380   9.975
   54   2HB   GLU   7           HB1      GLU   7  63.228  -1.796  10.226
   55   1HG   GLU   7           HG2      GLU   7  61.180  -0.051  11.411
   56   2HG   GLU   7           HG1      GLU   7  61.205  -1.675  12.100
   57    H    ILE   8           HN       ILE   8  62.946  -1.650   7.079
   58    HA   ILE   8           HA       ILE   8  65.680  -1.095   7.204
   59    HB   ILE   8           HB       ILE   8  63.656  -1.709   5.096
   60   1HG1  ILE   8          HG12      ILE   8  65.092  -3.660   4.794
   61   2HG1  ILE   8          HG11      ILE   8  66.328  -2.944   5.829
   62   1HG2  ILE   8          HG21      ILE   8  66.307  -0.443   4.575
   63   2HG2  ILE   8          HG23      ILE   8  65.834  -1.796   3.546
   64   3HG2  ILE   8          HG22      ILE   8  64.817  -0.357   3.634
   65   1HD1  ILE   8          HD13      ILE   8  63.528  -3.382   6.849
   66   2HD1  ILE   8          HD12      ILE   8  64.715  -4.684   6.884
   67   3HD1  ILE   8          HD11      ILE   8  65.017  -3.191   7.771
   68    H    LEU   9           HN       LEU   9  63.053   0.982   5.993
   69    HA   LEU   9           HA       LEU   9  65.037   3.073   5.248
   70   1HB   LEU   9           HB2      LEU   9  62.008   2.982   5.039
   71   2HB   LEU   9           HB1      LEU   9  63.069   4.146   4.252
   72    HG   LEU   9           HG       LEU   9  62.694   2.615   2.532
   73   1HD1  LEU   9          HD13      LEU   9  65.105   1.537   4.021
   74   2HD1  LEU   9          HD12      LEU   9  64.731   1.198   2.333
   75   3HD1  LEU   9          HD11      LEU   9  65.107   2.845   2.838
   76   1HD2  LEU   9          HD21      LEU   9  61.557   1.026   4.281
   77   2HD2  LEU   9          HD23      LEU   9  62.209   0.343   2.791
   78   3HD2  LEU   9          HD22      LEU   9  63.124   0.216   4.293
   79    H    GLY  10           HN       GLY  10  64.519   2.278   8.106
   80   1HA   GLY  10           HA2      GLY  10  63.971   3.295  10.166
   81   2HA   GLY  10           HA1      GLY  10  64.603   4.750   9.389
   82    H    VAL  11           HN       VAL  11  61.655   2.729   9.287
   83    HA   VAL  11           HA       VAL  11  60.037   5.257   9.304
   84    HB   VAL  11           HB       VAL  11  59.269   2.797   7.735
   85   1HG1  VAL  11          HG11      VAL  11  58.116   5.291   8.177
   86   2HG1  VAL  11          HG13      VAL  11  58.821   5.425   6.567
   87   3HG1  VAL  11          HG12      VAL  11  57.664   4.140   6.919
   88   1HG2  VAL  11          HG23      VAL  11  61.195   4.970   6.854
   89   2HG2  VAL  11          HG22      VAL  11  61.526   3.241   6.965
   90   3HG2  VAL  11          HG21      VAL  11  60.404   3.847   5.749
   91    H    SER  12           HN       SER  12  57.568   3.733   9.122
   92    HA   SER  12           HA       SER  12  57.572   2.215  11.701
   93   1HB   SER  12           HB2      SER  12  56.474   4.730  11.133
   94   2HB   SER  12           HB1      SER  12  55.103   3.626  11.061
   95    HG   SER  12           HG       SER  12  55.285   4.118  13.174
   96    H    LYS  13           HN       LYS  13  56.838   2.270   8.383
   97    HA   LYS  13           HA       LYS  13  55.911   0.590   7.017
   98   1HB   LYS  13           HB2      LYS  13  56.036  -1.438   7.971
   99   2HB   LYS  13           HB1      LYS  13  56.391  -0.625   9.491
  100   1HG   LYS  13           HG2      LYS  13  53.902  -0.467   9.905
  101   2HG   LYS  13           HG1      LYS  13  53.662  -1.478   8.480
  102   1HD   LYS  13           HD2      LYS  13  54.568  -3.360   9.489
  103   2HD   LYS  13           HD1      LYS  13  55.571  -2.413  10.590
  104   1HE   LYS  13           HE2      LYS  13  53.372  -1.642  11.684
  105   2HE   LYS  13           HE1      LYS  13  52.604  -2.968  10.786
  106   1HZ   LYS  13           HZ3      LYS  13  55.079  -3.397  12.344
  107   2HZ   LYS  13           HZ2      LYS  13  53.553  -3.502  13.084
  108   3HZ   LYS  13           HZ1      LYS  13  53.955  -4.548  11.807
  109    H    THR  14           HN       THR  14  54.054   1.880   9.737
  110    HA   THR  14           HA       THR  14  51.497   1.526   8.313
  111    HB   THR  14           HB       THR  14  50.591   2.423  10.386
  112    HG1  THR  14           HG1      THR  14  53.272   3.214  10.794
  113   1HG2  THR  14          HG21      THR  14  52.073   0.129  10.261
  114   2HG2  THR  14          HG23      THR  14  52.854   0.968  11.602
  115   3HG2  THR  14          HG22      THR  14  51.126   0.620  11.666
  116    H    ALA  15           HN       ALA  15  54.122   3.618   8.281
  117    HA   ALA  15           HA       ALA  15  52.903   6.203   8.023
  118   1HB   ALA  15           HB1      ALA  15  55.443   5.028   8.114
  119   2HB   ALA  15           HB3      ALA  15  55.350   5.701   6.487
  120   3HB   ALA  15           HB2      ALA  15  55.117   6.747   7.888
  121    H    GLU  16           HN       GLU  16  53.916   7.110   5.606
  122    HA   GLU  16           HA       GLU  16  52.812   5.439   3.428
  123   1HB   GLU  16           HB2      GLU  16  51.786   8.206   4.179
  124   2HB   GLU  16           HB1      GLU  16  51.276   7.279   2.764
  125   1HG   GLU  16           HG2      GLU  16  50.531   5.447   4.313
  126   2HG   GLU  16           HG1      GLU  16  50.891   6.515   5.671
  127    H    GLU  17           HN       GLU  17  52.888   8.718   2.645
  128    HA   GLU  17           HA       GLU  17  55.496   8.413   1.278
  129   1HB   GLU  17           HB2      GLU  17  53.053  10.103   1.125
  130   2HB   GLU  17           HB1      GLU  17  54.560  10.894   0.662
  131   1HG   GLU  17           HG2      GLU  17  54.927   8.650  -0.707
  132   2HG   GLU  17           HG1      GLU  17  53.167   8.574  -0.616
  133    H    ARG  18           HN       ARG  18  53.876  10.556   3.583
  134    HA   ARG  18           HA       ARG  18  55.675  12.510   4.152
  135   1HB   ARG  18           HB2      ARG  18  54.850  12.203   6.577
  136   2HB   ARG  18           HB1      ARG  18  53.627  12.422   5.328
  137   1HG   ARG  18           HG2      ARG  18  52.754  10.582   6.433
  138   2HG   ARG  18           HG1      ARG  18  53.740   9.761   5.229
  139   1HD   ARG  18           HD2      ARG  18  54.684   8.697   7.011
  140   2HD   ARG  18           HD1      ARG  18  55.547  10.225   7.284
  141    HE   ARG  18           HE       ARG  18  52.814   9.922   8.425
  142   1HH1  ARG  18          HH21      ARG  18  54.597  12.230   9.107
  143   2HH1  ARG  18          HH22      ARG  18  55.254  11.745  10.635
  144   1HH2  ARG  18          HH11      ARG  18  54.360   8.415  10.259
  145   2HH2  ARG  18          HH12      ARG  18  55.117   9.584  11.289
  146    H    GLU  19           HN       GLU  19  56.055   9.154   5.432
  147    HA   GLU  19           HA       GLU  19  58.615  10.053   6.640
  148   1HB   GLU  19           HB2      GLU  19  56.647   8.114   7.250
  149   2HB   GLU  19           HB1      GLU  19  58.118   7.224   6.841
  150   1HG   GLU  19           HG2      GLU  19  59.163   7.897   8.715
  151   2HG   GLU  19           HG1      GLU  19  58.698   9.577   8.446
  152    H    ILE  20           HN       ILE  20  57.461   7.542   4.399
  153    HA   ILE  20           HA       ILE  20  59.940   6.576   3.582
  154    HB   ILE  20           HB       ILE  20  57.192   6.689   2.656
  155   1HG1  ILE  20          HG12      ILE  20  57.681   4.389   2.063
  156   2HG1  ILE  20          HG11      ILE  20  59.412   4.701   2.168
  157   1HG2  ILE  20          HG22      ILE  20  59.378   6.946   0.617
  158   2HG2  ILE  20          HG21      ILE  20  57.993   5.913   0.264
  159   3HG2  ILE  20          HG23      ILE  20  57.752   7.629   0.597
  160   1HD1  ILE  20          HD13      ILE  20  59.166   5.219   4.576
  161   2HD1  ILE  20          HD12      ILE  20  57.441   4.872   4.466
  162   3HD1  ILE  20          HD11      ILE  20  58.618   3.584   4.209
  163    H    ARG  21           HN       ARG  21  58.574   9.766   3.066
  164    HA   ARG  21           HA       ARG  21  60.415  10.327   0.842
  165   1HB   ARG  21           HB2      ARG  21  59.059  12.170   0.491
  166   2HB   ARG  21           HB1      ARG  21  57.936  11.199   1.436
  167   1HG   ARG  21           HG2      ARG  21  58.636  12.368   3.490
  168   2HG   ARG  21           HG1      ARG  21  59.785  13.329   2.558
  169   1HD   ARG  21           HD2      ARG  21  57.320  13.603   1.207
  170   2HD   ARG  21           HD1      ARG  21  56.951  13.788   2.933
  171    HE   ARG  21           HE       ARG  21  58.899  15.448   1.407
  172   1HH1  ARG  21          HH11      ARG  21  59.488  14.748   4.374
  173   2HH1  ARG  21          HH12      ARG  21  58.878  16.171   5.150
  174   1HH2  ARG  21          HH21      ARG  21  57.119  17.259   2.365
  175   2HH2  ARG  21          HH22      ARG  21  57.537  17.593   4.013
  176    H    LYS  22           HN       LYS  22  60.344  10.703   4.277
  177    HA   LYS  22           HA       LYS  22  62.772  12.433   4.181
  178   1HB   LYS  22           HB2      LYS  22  60.430  12.687   5.587
  179   2HB   LYS  22           HB1      LYS  22  61.425  11.807   6.748
  180   1HG   LYS  22           HG2      LYS  22  62.434  14.264   5.306
  181   2HG   LYS  22           HG1      LYS  22  61.576  14.363   6.845
  182   1HD   LYS  22           HD2      LYS  22  64.157  12.874   6.296
  183   2HD   LYS  22           HD1      LYS  22  63.953  14.301   7.313
  184   1HE   LYS  22           HE2      LYS  22  62.183  12.753   8.560
  185   2HE   LYS  22           HE1      LYS  22  63.181  11.458   7.869
  186   1HZ   LYS  22           HZ1      LYS  22  65.120  12.959   8.665
  187   2HZ   LYS  22           HZ3      LYS  22  63.962  13.614   9.718
  188   3HZ   LYS  22           HZ2      LYS  22  64.330  11.956   9.787
  189    H    ALA  23           HN       ALA  23  61.452   9.326   4.880
  190    HA   ALA  23           HA       ALA  23  63.715   8.374   6.512
  191   1HB   ALA  23           HB1      ALA  23  61.076   7.690   6.177
  192   2HB   ALA  23           HB3      ALA  23  61.872   6.477   5.172
  193   3HB   ALA  23           HB2      ALA  23  62.284   6.617   6.882
  194    H    TYR  24           HN       TYR  24  62.397   7.763   3.234
  195    HA   TYR  24           HA       TYR  24  64.402   6.056   2.238
  196   1HB   TYR  24           HB2      TYR  24  62.429   6.541   0.954
  197   2HB   TYR  24           HB1      TYR  24  62.746   8.275   1.013
  198    HD1  TYR  24           HD2      TYR  24  65.579   6.035   0.535
  199    HD2  TYR  24           HD1      TYR  24  62.573   8.355  -1.471
  200    HE1  TYR  24           HE2      TYR  24  66.875   5.890  -1.574
  201    HE2  TYR  24           HE1      TYR  24  63.868   8.211  -3.580
  202    HH   TYR  24           HH       TYR  24  66.657   6.132  -3.887
  203    H    LYS  25           HN       LYS  25  64.227   9.617   2.173
  204    HA   LYS  25           HA       LYS  25  66.865  10.039   1.094
  205   1HB   LYS  25           HB2      LYS  25  64.808  11.592   1.198
  206   2HB   LYS  25           HB1      LYS  25  65.271  11.905   2.871
  207   1HG   LYS  25           HG2      LYS  25  67.531  12.600   2.076
  208   2HG   LYS  25           HG1      LYS  25  66.979  12.395   0.414
  209   1HD   LYS  25           HD2      LYS  25  65.918  14.386   0.435
  210   2HD   LYS  25           HD1      LYS  25  65.114  14.010   1.960
  211   1HE   LYS  25           HE2      LYS  25  66.639  15.188   3.180
  212   2HE   LYS  25           HE1      LYS  25  68.004  14.570   2.229
  213   1HZ   LYS  25           HZ1      LYS  25  67.050  15.990   0.359
  214   2HZ   LYS  25           HZ3      LYS  25  66.154  16.781   1.563
  215   3HZ   LYS  25           HZ2      LYS  25  67.852  16.806   1.615
  216    H    ARG  26           HN       ARG  26  65.519   9.991   4.417
  217    HA   ARG  26           HA       ARG  26  67.832  10.785   5.856
  218   1HB   ARG  26           HB2      ARG  26  65.372   9.224   6.301
  219   2HB   ARG  26           HB1      ARG  26  66.690   8.777   7.380
  220   1HG   ARG  26           HG2      ARG  26  66.662  11.621   7.207
  221   2HG   ARG  26           HG1      ARG  26  65.008  11.090   7.517
  222   1HD   ARG  26           HD2      ARG  26  66.187  11.391   9.657
  223   2HD   ARG  26           HD1      ARG  26  65.883   9.661   9.399
  224    HE   ARG  26           HE       ARG  26  68.331  10.064   8.180
  225   1HH1  ARG  26          HH21      ARG  26  67.368   8.999  11.084
  226   2HH1  ARG  26          HH22      ARG  26  68.701   9.605  12.010
  227   1HH2  ARG  26          HH11      ARG  26  69.902  11.617   9.454
  228   2HH2  ARG  26          HH12      ARG  26  70.135  11.087  11.087
  229    H    LEU  27           HN       LEU  27  66.855   7.423   5.072
  230    HA   LEU  27           HA       LEU  27  69.379   6.290   5.915
  231   1HB   LEU  27           HB2      LEU  27  66.792   5.462   5.079
  232   2HB   LEU  27           HB1      LEU  27  67.958   4.662   4.023
  233    HG   LEU  27           HG       LEU  27  67.549   3.308   6.040
  234   1HD1  LEU  27          HD13      LEU  27  69.868   3.590   4.911
  235   2HD1  LEU  27          HD12      LEU  27  70.284   4.548   6.331
  236   3HD1  LEU  27          HD11      LEU  27  69.818   2.857   6.516
  237   1HD2  LEU  27          HD22      LEU  27  68.269   5.909   7.374
  238   2HD2  LEU  27          HD21      LEU  27  66.943   4.804   7.740
  239   3HD2  LEU  27          HD23      LEU  27  68.593   4.383   8.197
  240    H    ALA  28           HN       ALA  28  68.239   7.712   2.930
  241    HA   ALA  28           HA       ALA  28  70.174   6.444   1.180
  242   1HB   ALA  28           HB2      ALA  28  68.423   8.890   1.104
  243   2HB   ALA  28           HB1      ALA  28  69.557   8.541  -0.202
  244   3HB   ALA  28           HB3      ALA  28  68.267   7.399   0.174
  245    H    MET  29           HN       MET  29  70.203   9.125   3.398
  246    HA   MET  29           HA       MET  29  72.255  10.784   2.524
  247   1HB   MET  29           HB2      MET  29  70.934  10.831   4.656
  248   2HB   MET  29           HB1      MET  29  71.958   9.524   5.253
  249   1HG   MET  29           HG2      MET  29  73.870  10.877   5.334
  250   2HG   MET  29           HG1      MET  29  73.200  12.057   4.207
  251   1HE   MET  29           HE3      MET  29  74.719  12.662   6.712
  252   2HE   MET  29           HE2      MET  29  73.830  13.178   8.143
  253   3HE   MET  29           HE1      MET  29  74.066  11.460   7.833
  254    H    LYS  30           HN       LYS  30  72.477   7.675   4.153
  255    HA   LYS  30           HA       LYS  30  75.253   7.300   4.396
  256   1HB   LYS  30           HB2      LYS  30  72.749   5.838   4.383
  257   2HB   LYS  30           HB1      LYS  30  74.026   4.877   3.630
  258   1HG   LYS  30           HG2      LYS  30  75.303   4.786   5.559
  259   2HG   LYS  30           HG1      LYS  30  74.653   6.302   6.184
  260   1HD   LYS  30           HD2      LYS  30  72.407   4.702   6.054
  261   2HD   LYS  30           HD1      LYS  30  73.661   3.560   6.536
  262   1HE   LYS  30           HE2      LYS  30  74.323   5.534   8.212
  263   2HE   LYS  30           HE1      LYS  30  72.606   5.940   8.011
  264   1HZ   LYS  30           HZ2      LYS  30  72.274   3.409   8.281
  265   2HZ   LYS  30           HZ1      LYS  30  73.810   3.439   9.007
  266   3HZ   LYS  30           HZ3      LYS  30  72.542   4.349   9.671
  267    H    TYR  31           HN       TYR  31  73.246   7.442   1.599
  268    HA   TYR  31           HA       TYR  31  75.529   6.430  -0.089
  269   1HB   TYR  31           HB2      TYR  31  72.598   6.133  -0.758
  270   2HB   TYR  31           HB1      TYR  31  73.967   5.225  -1.407
  271    HD1  TYR  31           HD1      TYR  31  75.501   4.316   0.791
  272    HD2  TYR  31           HD2      TYR  31  71.238   4.787   0.567
  273    HE1  TYR  31           HE1      TYR  31  75.221   2.619   2.576
  274    HE2  TYR  31           HE2      TYR  31  70.958   3.088   2.351
  275    HH   TYR  31           HH       TYR  31  72.454   2.218   4.307
  276    H    HIS  32           HN       HIS  32  73.167   8.914   0.432
  277    HA   HIS  32           HA       HIS  32  72.604  10.147  -1.930
  278   1HB   HIS  32           HB2      HIS  32  73.223  10.927   0.807
  279   2HB   HIS  32           HB1      HIS  32  73.622  12.212  -0.337
  280    HD1  HIS  32           HD1      HIS  32  71.522  13.529   0.671
  281    HD2  HIS  32           HD2      HIS  32  70.598  10.025  -1.390
  282    HE1  HIS  32           HE1      HIS  32  69.036  13.614   0.190
  283    HA   PRO  33           HA       PRO  33  76.083  11.249  -4.313
  284   1HB   PRO  33           HB2      PRO  33  75.691  13.943  -4.766
  285   2HB   PRO  33           HB1      PRO  33  74.782  12.653  -5.584
  286   1HG   PRO  33           HG2      PRO  33  74.029  14.228  -3.152
  287   2HG   PRO  33           HG1      PRO  33  73.064  13.871  -4.599
  288   1HD   PRO  33           HD2      PRO  33  72.699  12.429  -2.419
  289   2HD   PRO  33           HD1      PRO  33  72.779  11.618  -4.004
  290    H    ASP  34           HN       ASP  34  77.512  13.721  -4.362
  291    HA   ASP  34           HA       ASP  34  79.249  14.835  -3.187
  292   1HB   ASP  34           HB2      ASP  34  77.184  14.995  -1.526
  293   2HB   ASP  34           HB1      ASP  34  78.073  13.773  -0.618
  294    H    ARG  35           HN       ARG  35  78.448  12.020  -1.134
  295    HA   ARG  35           HA       ARG  35  81.203  11.042  -1.185
  296   1HB   ARG  35           HB2      ARG  35  80.349   9.571   0.438
  297   2HB   ARG  35           HB1      ARG  35  79.230  10.918   0.602
  298   1HG   ARG  35           HG2      ARG  35  77.626   9.797  -0.878
  299   2HG   ARG  35           HG1      ARG  35  78.748   8.461  -1.121
  300   1HD   ARG  35           HD2      ARG  35  77.293   9.231   1.426
  301   2HD   ARG  35           HD1      ARG  35  77.288   7.669   0.584
  302    HE   ARG  35           HE       ARG  35  79.822   7.650   1.138
  303   1HH1  ARG  35          HH21      ARG  35  80.942   9.305   2.719
  304   2HH1  ARG  35          HH22      ARG  35  80.293   9.195   4.321
  305   1HH2  ARG  35          HH11      ARG  35  77.449   7.474   3.332
  306   2HH2  ARG  35          HH12      ARG  35  78.310   8.164   4.666
  307    H    ASN  36           HN       ASN  36  78.173  10.631  -2.826
  308    HA   ASN  36           HA       ASN  36  79.064   8.290  -4.389
  309   1HB   ASN  36           HB2      ASN  36  76.561   9.620  -3.480
  310   2HB   ASN  36           HB1      ASN  36  76.501   9.010  -5.123
  311   1HD2  ASN  36          HD22      ASN  36  75.589   5.912  -3.686
  312   2HD2  ASN  36          HD21      ASN  36  75.073   7.239  -4.610
  313    H    GLN  37           HN       GLN  37  77.358   9.123  -6.591
  314    HA   GLN  37           HA       GLN  37  78.365  11.665  -7.628
  315   1HB   GLN  37           HB2      GLN  37  79.190   8.975  -8.753
  316   2HB   GLN  37           HB1      GLN  37  79.466  10.514  -9.573
  317   1HG   GLN  37           HG2      GLN  37  80.679  11.280  -7.469
  318   2HG   GLN  37           HG1      GLN  37  80.610   9.603  -6.924
  319   1HE2  GLN  37          HE22      GLN  37  83.833  10.014  -8.749
  320   2HE2  GLN  37          HE21      GLN  37  83.149  10.661  -7.338
  321    H    GLY  38           HN       GLY  38  75.942  11.747  -7.423
  322   1HA   GLY  38           HA2      GLY  38  73.924  11.931  -8.648
  323   2HA   GLY  38           HA1      GLY  38  74.721  11.133 -10.010
  324    H    ASP  39           HN       ASP  39  75.565   8.789  -9.084
  325    HA   ASP  39           HA       ASP  39  73.469   7.453  -7.484
  326   1HB   ASP  39           HB2      ASP  39  73.935   7.063 -10.444
  327   2HB   ASP  39           HB1      ASP  39  73.202   5.798  -9.457
  328    H    LYS  40           HN       LYS  40  75.315   5.665  -9.804
  329    HA   LYS  40           HA       LYS  40  77.077   4.161  -9.546
  330   1HB   LYS  40           HB2      LYS  40  77.751   6.308  -7.582
  331   2HB   LYS  40           HB1      LYS  40  78.877   5.025  -7.989
  332   1HG   LYS  40           HG2      LYS  40  77.667   7.038  -9.908
  333   2HG   LYS  40           HG1      LYS  40  79.344   6.997  -9.362
  334   1HD   LYS  40           HD2      LYS  40  79.826   5.600 -11.052
  335   2HD   LYS  40           HD1      LYS  40  78.735   4.405 -10.348
  336   1HE   LYS  40           HE2      LYS  40  76.836   5.368 -11.564
  337   2HE   LYS  40           HE1      LYS  40  77.882   6.644 -12.220
  338   1HZ   LYS  40           HZ3      LYS  40  78.694   3.834 -12.505
  339   2HZ   LYS  40           HZ2      LYS  40  77.518   4.454 -13.564
  340   3HZ   LYS  40           HZ1      LYS  40  79.061   5.162 -13.494
  341    H    GLU  41           HN       GLU  41  76.704   5.235  -6.177
  342    HA   GLU  41           HA       GLU  41  76.499   2.375  -5.374
  343   1HB   GLU  41           HB2      GLU  41  77.164   5.005  -4.077
  344   2HB   GLU  41           HB1      GLU  41  76.618   3.672  -3.059
  345   1HG   GLU  41           HG2      GLU  41  78.409   2.321  -4.502
  346   2HG   GLU  41           HG1      GLU  41  79.122   3.925  -4.668
  347    H    ALA  42           HN       ALA  42  74.573   5.126  -5.973
  348    HA   ALA  42           HA       ALA  42  72.381   4.342  -4.160
  349   1HB   ALA  42           HB1      ALA  42  73.268   6.712  -5.089
  350   2HB   ALA  42           HB3      ALA  42  72.088   6.353  -6.350
  351   3HB   ALA  42           HB2      ALA  42  71.576   6.453  -4.666
  352    H    GLU  43           HN       GLU  43  73.457   3.814  -7.437
  353    HA   GLU  43           HA       GLU  43  71.009   3.317  -8.771
  354   1HB   GLU  43           HB2      GLU  43  73.122   3.383  -9.928
  355   2HB   GLU  43           HB1      GLU  43  73.768   2.072  -8.938
  356   1HG   GLU  43           HG2      GLU  43  72.469   0.444 -10.007
  357   2HG   GLU  43           HG1      GLU  43  71.289   1.623 -10.582
  358    H    ALA  44           HN       ALA  44  73.054   0.975  -6.979
  359    HA   ALA  44           HA       ALA  44  70.964  -1.097  -7.154
  360   1HB   ALA  44           HB3      ALA  44  73.758  -0.883  -6.642
  361   2HB   ALA  44           HB2      ALA  44  73.032  -1.579  -5.194
  362   3HB   ALA  44           HB1      ALA  44  72.802  -2.361  -6.759
  363    H    LYS  45           HN       LYS  45  72.383   0.954  -4.556
  364    HA   LYS  45           HA       LYS  45  70.883  -0.003  -2.402
  365   1HB   LYS  45           HB2      LYS  45  72.428   2.290  -3.065
  366   2HB   LYS  45           HB1      LYS  45  70.933   2.862  -2.311
  367   1HG   LYS  45           HG2      LYS  45  71.732   2.241  -0.307
  368   2HG   LYS  45           HG1      LYS  45  71.773   0.567  -0.866
  369   1HD   LYS  45           HD2      LYS  45  73.968   2.047  -2.016
  370   2HD   LYS  45           HD1      LYS  45  73.987   2.201  -0.259
  371   1HE   LYS  45           HE2      LYS  45  73.785  -0.291  -0.074
  372   2HE   LYS  45           HE1      LYS  45  73.912  -0.393  -1.841
  373   1HZ   LYS  45           HZ1      LYS  45  75.944   1.178  -1.408
  374   2HZ   LYS  45           HZ3      LYS  45  75.929   0.441   0.118
  375   3HZ   LYS  45           HZ2      LYS  45  76.110  -0.508  -1.279
  376    H    PHE  46           HN       PHE  46  69.777   1.919  -5.163
  377    HA   PHE  46           HA       PHE  46  67.284   2.788  -4.042
  378   1HB   PHE  46           HB2      PHE  46  68.427   2.234  -6.760
  379   2HB   PHE  46           HB1      PHE  46  66.681   2.446  -6.636
  380    HD1  PHE  46           HD2      PHE  46  69.166   4.066  -4.417
  381    HD2  PHE  46           HD1      PHE  46  66.504   4.574  -7.749
  382    HE1  PHE  46           HE2      PHE  46  69.469   6.522  -4.283
  383    HE2  PHE  46           HE1      PHE  46  66.806   7.032  -7.614
  384    HZ   PHE  46           HZ       PHE  46  68.289   8.006  -5.881
  385    H    LYS  47           HN       LYS  47  68.424  -0.301  -5.216
  386    HA   LYS  47           HA       LYS  47  65.822  -1.531  -5.282
  387   1HB   LYS  47           HB2      LYS  47  67.072  -3.413  -6.029
  388   2HB   LYS  47           HB1      LYS  47  68.061  -2.064  -6.571
  389   1HG   LYS  47           HG2      LYS  47  69.778  -2.775  -5.331
  390   2HG   LYS  47           HG1      LYS  47  68.792  -2.787  -3.871
  391   1HD   LYS  47           HD2      LYS  47  68.921  -5.032  -3.948
  392   2HD   LYS  47           HD1      LYS  47  67.856  -4.951  -5.352
  393   1HE   LYS  47           HE2      LYS  47  69.561  -5.336  -6.835
  394   2HE   LYS  47           HE1      LYS  47  70.740  -4.428  -5.868
  395   1HZ   LYS  47           HZ3      LYS  47  70.252  -6.349  -4.172
  396   2HZ   LYS  47           HZ2      LYS  47  69.852  -7.208  -5.581
  397   3HZ   LYS  47           HZ1      LYS  47  71.406  -6.548  -5.398
  398    H    GLU  48           HN       GLU  48  68.001  -0.536  -2.905
  399    HA   GLU  48           HA       GLU  48  67.206  -2.598  -0.988
  400   1HB   GLU  48           HB2      GLU  48  69.086  -0.229  -0.922
  401   2HB   GLU  48           HB1      GLU  48  68.768  -1.218   0.503
  402   1HG   GLU  48           HG2      GLU  48  69.321  -3.166  -1.293
  403   2HG   GLU  48           HG1      GLU  48  70.323  -1.866  -1.941
  404    H    ILE  49           HN       ILE  49  66.744   0.829  -1.665
  405    HA   ILE  49           HA       ILE  49  64.692   0.912   0.510
  406    HB   ILE  49           HB       ILE  49  66.074   3.124  -1.019
  407   1HG1  ILE  49          HG12      ILE  49  66.980   3.183   1.597
  408   2HG1  ILE  49          HG11      ILE  49  66.981   1.461   1.194
  409   1HG2  ILE  49          HG22      ILE  49  63.929   3.005   0.944
  410   2HG2  ILE  49          HG21      ILE  49  65.243   4.069   1.437
  411   3HG2  ILE  49          HG23      ILE  49  64.429   4.332  -0.101
  412   1HD1  ILE  49          HD11      ILE  49  67.916   2.617  -1.118
  413   2HD1  ILE  49          HD13      ILE  49  68.643   3.626   0.133
  414   3HD1  ILE  49          HD12      ILE  49  68.926   1.885   0.129
  415    H    LYS  50           HN       LYS  50  65.375   1.928  -2.855
  416    HA   LYS  50           HA       LYS  50  62.692   2.876  -3.230
  417   1HB   LYS  50           HB2      LYS  50  65.113   3.035  -4.544
  418   2HB   LYS  50           HB1      LYS  50  64.204   1.958  -5.605
  419   1HG   LYS  50           HG2      LYS  50  62.455   4.068  -4.813
  420   2HG   LYS  50           HG1      LYS  50  63.968   4.798  -5.348
  421   1HD   LYS  50           HD2      LYS  50  62.734   4.577  -7.347
  422   2HD   LYS  50           HD1      LYS  50  63.796   3.169  -7.361
  423   1HE   LYS  50           HE2      LYS  50  61.901   1.866  -6.257
  424   2HE   LYS  50           HE1      LYS  50  60.858   3.258  -6.616
  425   1HZ   LYS  50           HZ3      LYS  50  61.587   3.125  -8.938
  426   2HZ   LYS  50           HZ2      LYS  50  62.491   1.733  -8.578
  427   3HZ   LYS  50           HZ1      LYS  50  60.798   1.705  -8.450
  428    H    GLU  51           HN       GLU  51  64.230  -0.268  -3.386
  429    HA   GLU  51           HA       GLU  51  61.951  -1.432  -4.900
  430   1HB   GLU  51           HB2      GLU  51  63.876  -2.528  -5.506
  431   2HB   GLU  51           HB1      GLU  51  64.679  -2.034  -4.037
  432   1HG   GLU  51           HG2      GLU  51  64.491  -4.433  -3.980
  433   2HG   GLU  51           HG1      GLU  51  63.367  -3.773  -2.790
  434    H    ALA  52           HN       ALA  52  63.206  -1.022  -1.678
  435    HA   ALA  52           HA       ALA  52  61.274  -2.858  -0.397
  436   1HB   ALA  52           HB3      ALA  52  63.481  -0.974   0.496
  437   2HB   ALA  52           HB2      ALA  52  62.487  -1.870   1.646
  438   3HB   ALA  52           HB1      ALA  52  63.508  -2.737   0.499
  439    H    TYR  53           HN       TYR  53  62.128   0.586  -0.097
  440    HA   TYR  53           HA       TYR  53  59.722   1.363   1.267
  441   1HB   TYR  53           HB2      TYR  53  61.086   3.111   1.638
  442   2HB   TYR  53           HB1      TYR  53  62.273   2.334   0.617
  443    HD1  TYR  53           HD2      TYR  53  59.164   4.444   0.230
  444    HD2  TYR  53           HD1      TYR  53  63.139   3.575  -1.105
  445    HE1  TYR  53           HE2      TYR  53  59.068   6.340  -1.361
  446    HE2  TYR  53           HE1      TYR  53  63.056   5.457  -2.682
  447    HH   TYR  53           HH       TYR  53  60.206   7.598  -2.811
  448    H    GLU  54           HN       GLU  54  60.110   0.446  -1.931
  449    HA   GLU  54           HA       GLU  54  58.484   2.404  -3.291
  450   1HB   GLU  54           HB2      GLU  54  59.549   1.115  -4.843
  451   2HB   GLU  54           HB1      GLU  54  59.669  -0.263  -3.752
  452   1HG   GLU  54           HG2      GLU  54  57.670  -1.168  -4.469
  453   2HG   GLU  54           HG1      GLU  54  56.963   0.408  -4.826
  454    H    VAL  55           HN       VAL  55  57.749  -0.443  -1.320
  455    HA   VAL  55           HA       VAL  55  54.852   0.032  -1.867
  456    HB   VAL  55           HB       VAL  55  54.696  -2.194  -2.116
  457   1HG1  VAL  55          HG11      VAL  55  57.250  -1.862  -2.675
  458   2HG1  VAL  55          HG13      VAL  55  57.465  -2.825  -1.215
  459   3HG1  VAL  55          HG12      VAL  55  56.544  -3.467  -2.573
  460   1HG2  VAL  55          HG23      VAL  55  55.845  -2.296   0.677
  461   2HG2  VAL  55          HG22      VAL  55  54.169  -2.525   0.180
  462   3HG2  VAL  55          HG21      VAL  55  55.374  -3.754  -0.198
  463    H    LEU  56           HN       LEU  56  56.950   1.152   0.209
  464    HA   LEU  56           HA       LEU  56  55.697   0.460   2.768
  465   1HB   LEU  56           HB2      LEU  56  58.009   1.829   1.703
  466   2HB   LEU  56           HB1      LEU  56  57.242   2.815   2.948
  467    HG   LEU  56           HG       LEU  56  58.960   1.207   3.846
  468   1HD1  LEU  56          HD11      LEU  56  56.672   2.033   4.962
  469   2HD1  LEU  56          HD13      LEU  56  56.325   0.304   4.921
  470   3HD1  LEU  56          HD12      LEU  56  57.745   0.898   5.781
  471   1HD2  LEU  56          HD22      LEU  56  58.208  -0.593   2.134
  472   2HD2  LEU  56          HD21      LEU  56  58.596  -1.131   3.767
  473   3HD2  LEU  56          HD23      LEU  56  56.913  -0.939   3.279
  474    H    THR  57           HN       THR  57  54.581   2.176   0.214
  475    HA   THR  57           HA       THR  57  53.262   4.277   1.895
  476    HB   THR  57           HB       THR  57  53.895   5.682   0.224
  477    HG1  THR  57           HG1      THR  57  52.614   5.663  -1.449
  478   1HG2  THR  57          HG22      THR  57  55.783   4.058  -0.121
  479   2HG2  THR  57          HG21      THR  57  54.822   3.277  -1.375
  480   3HG2  THR  57          HG23      THR  57  55.346   4.949  -1.578
  481    H    ASP  58           HN       ASP  58  52.823   1.605  -0.325
  482    HA   ASP  58           HA       ASP  58  49.883   2.028  -0.433
  483   1HB   ASP  58           HB2      ASP  58  51.328   1.512  -2.437
  484   2HB   ASP  58           HB1      ASP  58  51.658  -0.073  -1.723
  485    H    SER  59           HN       SER  59  48.544  -0.027  -0.109
  486    HA   SER  59           HA       SER  59  49.548  -1.498   2.298
  487   1HB   SER  59           HB2      SER  59  46.725  -1.114   1.255
  488   2HB   SER  59           HB1      SER  59  47.188  -1.722   2.841
  489    HG   SER  59           HG       SER  59  46.811   0.786   2.087
  490    H    GLN  60           HN       GLN  60  47.785  -1.923  -0.773
  491    HA   GLN  60           HA       GLN  60  47.404  -4.726  -0.723
  492   1HB   GLN  60           HB2      GLN  60  47.326  -4.440  -3.193
  493   2HB   GLN  60           HB1      GLN  60  46.462  -3.141  -2.367
  494   1HG   GLN  60           HG2      GLN  60  48.858  -1.991  -2.432
  495   2HG   GLN  60           HG1      GLN  60  49.070  -3.055  -3.820
  496   1HE2  GLN  60          HE22      GLN  60  46.536   0.132  -4.079
  497   2HE2  GLN  60          HE21      GLN  60  47.273  -0.269  -2.604
  498    H    LYS  61           HN       LYS  61  50.302  -2.828  -1.412
  499    HA   LYS  61           HA       LYS  61  51.810  -5.103  -2.465
  500   1HB   LYS  61           HB2      LYS  61  52.885  -2.468  -1.449
  501   2HB   LYS  61           HB1      LYS  61  53.514  -3.474  -2.751
  502   1HG   LYS  61           HG2      LYS  61  51.400  -2.991  -4.041
  503   2HG   LYS  61           HG1      LYS  61  50.968  -1.834  -2.782
  504   1HD   LYS  61           HD2      LYS  61  52.169  -0.302  -3.922
  505   2HD   LYS  61           HD1      LYS  61  53.608  -1.186  -3.413
  506   1HE   LYS  61           HE2      LYS  61  53.690  -2.439  -5.440
  507   2HE   LYS  61           HE1      LYS  61  52.038  -1.964  -5.887
  508   1HZ   LYS  61           HZ2      LYS  61  53.144   0.419  -5.507
  509   2HZ   LYS  61           HZ1      LYS  61  54.510  -0.435  -6.047
  510   3HZ   LYS  61           HZ3      LYS  61  53.123  -0.355  -7.020
  511    H    ARG  62           HN       ARG  62  51.771  -3.118   0.509
  512    HA   ARG  62           HA       ARG  62  53.809  -4.310   1.979
  513   1HB   ARG  62           HB2      ARG  62  51.041  -3.309   2.680
  514   2HB   ARG  62           HB1      ARG  62  52.157  -3.851   3.935
  515   1HG   ARG  62           HG2      ARG  62  52.687  -1.659   1.906
  516   2HG   ARG  62           HG1      ARG  62  52.359  -1.424   3.623
  517   1HD   ARG  62           HD2      ARG  62  54.776  -2.786   2.388
  518   2HD   ARG  62           HD1      ARG  62  54.752  -1.326   3.396
  519    HE   ARG  62           HE       ARG  62  54.759  -3.991   4.422
  520   1HH1  ARG  62          HH21      ARG  62  54.241  -0.779   5.227
  521   2HH1  ARG  62          HH22      ARG  62  53.346  -1.101   6.674
  522   1HH2  ARG  62          HH11      ARG  62  53.116  -4.510   6.092
  523   2HH2  ARG  62          HH12      ARG  62  52.707  -3.212   7.163
  524    H    ALA  63           HN       ALA  63  50.739  -5.642   0.997
  525    HA   ALA  63           HA       ALA  63  51.063  -8.051   2.705
  526   1HB   ALA  63           HB1      ALA  63  48.971  -6.912   0.841
  527   2HB   ALA  63           HB3      ALA  63  48.858  -8.576   1.413
  528   3HB   ALA  63           HB2      ALA  63  48.831  -7.243   2.567
  529    H    ALA  64           HN       ALA  64  51.356  -6.916  -0.603
  530    HA   ALA  64           HA       ALA  64  51.768  -9.565  -1.798
  531   1HB   ALA  64           HB3      ALA  64  50.846  -7.422  -2.890
  532   2HB   ALA  64           HB2      ALA  64  52.499  -6.809  -2.849
  533   3HB   ALA  64           HB1      ALA  64  52.116  -8.245  -3.798
  534    H    TYR  65           HN       TYR  65  53.782  -6.675  -1.360
  535    HA   TYR  65           HA       TYR  65  56.291  -7.970  -1.884
  536   1HB   TYR  65           HB2      TYR  65  55.163  -5.410  -1.276
  537   2HB   TYR  65           HB1      TYR  65  56.514  -5.678  -0.179
  538    HD1  TYR  65           HD1      TYR  65  55.609  -6.072  -3.795
  539    HD2  TYR  65           HD2      TYR  65  58.694  -5.230  -0.926
  540    HE1  TYR  65           HE1      TYR  65  57.194  -5.598  -5.641
  541    HE2  TYR  65           HE2      TYR  65  60.281  -4.756  -2.775
  542    HH   TYR  65           HH       TYR  65  59.219  -4.516  -6.088
  543    H    ASP  66           HN       ASP  66  54.141  -8.101   0.752
  544    HA   ASP  66           HA       ASP  66  55.916  -8.211   2.961
  545   1HB   ASP  66           HB2      ASP  66  53.866  -8.322   3.922
  546   2HB   ASP  66           HB1      ASP  66  53.153  -8.572   2.335
  547    H    GLN  67           HN       GLN  67  54.631 -10.812   0.854
  548    HA   GLN  67           HA       GLN  67  56.476 -12.762   2.143
  549   1HB   GLN  67           HB2      GLN  67  55.083 -14.395   1.087
  550   2HB   GLN  67           HB1      GLN  67  53.988 -13.128   1.640
  551   1HG   GLN  67           HG2      GLN  67  54.467 -12.122  -0.768
  552   2HG   GLN  67           HG1      GLN  67  54.853 -13.802  -1.146
  553   1HE2  GLN  67          HE22      GLN  67  51.454 -14.914  -0.387
  554   2HE2  GLN  67          HE21      GLN  67  53.058 -15.392  -0.102
  555    H    TYR  68           HN       TYR  68  56.164 -10.855  -0.750
  556    HA   TYR  68           HA       TYR  68  58.065 -12.525  -2.280
  557   1HB   TYR  68           HB2      TYR  68  56.218 -10.241  -2.714
  558   2HB   TYR  68           HB1      TYR  68  57.656 -10.270  -3.742
  559    HD1  TYR  68           HD2      TYR  68  58.133 -13.174  -4.024
  560    HD2  TYR  68           HD1      TYR  68  54.463 -10.943  -4.130
  561    HE1  TYR  68           HE2      TYR  68  57.098 -14.942  -5.421
  562    HE2  TYR  68           HE1      TYR  68  53.429 -12.711  -5.527
  563    HH   TYR  68           HH       TYR  68  53.934 -14.516  -6.876
  564    H    GLY  69           HN       GLY  69  58.264  -9.046  -2.463
  565   1HA   GLY  69           HA2      GLY  69  60.193  -7.693  -2.316
  566   2HA   GLY  69           HA1      GLY  69  60.228  -8.321  -0.667
  567    H    HIS  70           HN       HIS  70  60.707 -10.144  -3.681
  568    HA   HIS  70           HA       HIS  70  63.602 -10.397  -3.140
  569   1HB   HIS  70           HB2      HIS  70  62.264 -12.023  -1.705
  570   2HB   HIS  70           HB1      HIS  70  61.763 -12.802  -3.211
  571    HD1  HIS  70           HD1      HIS  70  65.116 -11.528  -3.616
  572    HD2  HIS  70           HD2      HIS  70  63.469 -14.969  -1.935
  573    HE1  HIS  70           HE1      HIS  70  66.998 -13.214  -3.448
  574    H    ALA  71           HN       ALA  71  62.637 -13.092  -4.821
  575    HA   ALA  71           HA       ALA  71  63.411 -11.913  -7.399
  576   1HB   ALA  71           HB3      ALA  71  64.186 -14.128  -6.540
  577   2HB   ALA  71           HB2      ALA  71  62.520 -14.703  -6.595
  578   3HB   ALA  71           HB1      ALA  71  63.354 -14.272  -8.088
  579    H    ALA  72           HN       ALA  72  60.708 -11.431  -5.888
  580    HA   ALA  72           HA       ALA  72  58.488 -12.555  -7.063
  581   1HB   ALA  72           HB2      ALA  72  59.142  -9.671  -6.419
  582   2HB   ALA  72           HB1      ALA  72  57.512 -10.214  -6.814
  583   3HB   ALA  72           HB3      ALA  72  58.330 -10.845  -5.385
  584    H    PHE  73           HN       PHE  73  60.855 -10.504  -8.653
  585    HA   PHE  73           HA       PHE  73  59.263 -10.747 -11.181
  586   1HB   PHE  73           HB2      PHE  73  59.957  -8.430  -9.647
  587   2HB   PHE  73           HB1      PHE  73  60.833  -8.362 -11.177
  588    HD1  PHE  73           HD1      PHE  73  57.448  -9.613 -10.138
  589    HD2  PHE  73           HD2      PHE  73  59.712  -7.081 -12.765
  590    HE1  PHE  73           HE1      PHE  73  55.361  -8.963 -11.310
  591    HE2  PHE  73           HE2      PHE  73  57.626  -6.429 -13.936
  592    HZ   PHE  73           HZ       PHE  73  55.449  -7.370 -13.208
  593    H    GLU  74           HN       GLU  74  62.505 -10.048  -9.820
  594    HA   GLU  74           HA       GLU  74  63.823 -10.711 -12.356
  595   1HB   GLU  74           HB2      GLU  74  65.832 -10.153 -11.085
  596   2HB   GLU  74           HB1      GLU  74  64.578  -8.963 -10.735
  597   1HG   GLU  74           HG2      GLU  74  64.501  -9.549  -8.554
  598   2HG   GLU  74           HG1      GLU  74  64.439 -11.267  -8.945
  599    H    GLN  75           HN       GLN  75  62.508 -12.962 -11.994
  600    HA   GLN  75           HA       GLN  75  64.142 -14.854 -10.372
  601   1HB   GLN  75           HB2      GLN  75  62.235 -16.362 -10.795
  602   2HB   GLN  75           HB1      GLN  75  61.662 -14.806 -10.190
  603   1HG   GLN  75           HG2      GLN  75  60.434 -14.514 -12.051
  604   2HG   GLN  75           HG1      GLN  75  61.885 -14.646 -13.044
  605   1HE2  GLN  75          HE22      GLN  75  61.386 -18.149 -13.726
  606   2HE2  GLN  75          HE21      GLN  75  62.601 -16.978 -13.534
  607    H    GLY  76           HN       GLY  76  64.972 -13.599 -13.031
  608   1HA   GLY  76           HA2      GLY  76  66.469 -15.594 -14.181
  609   2HA   GLY  76           HA1      GLY  76  64.895 -15.802 -14.952
  610    H    GLY  77           HN       GLY  77  64.441 -12.810 -14.650
  611   1HA   GLY  77           HA2      GLY  77  66.422 -11.369 -16.099
  612   2HA   GLY  77           HA1      GLY  77  65.260 -12.020 -17.256
   
  No H/Q in entry =         612
  Start of MODEL   11
    1   1H    ALA   1           HT1      ALA   1  64.974 -16.373   8.982
    2   2H    ALA   1           HT3      ALA   1  66.593 -16.672   9.393
    3   3H    ALA   1           HT2      ALA   1  65.476 -16.245  10.600
    4    HA   ALA   1           HA       ALA   1  66.044 -14.117  10.336
    5   1HB   ALA   1           HB2      ALA   1  68.121 -15.283   9.388
    6   2HB   ALA   1           HB1      ALA   1  67.460 -14.942   7.789
    7   3HB   ALA   1           HB3      ALA   1  67.877 -13.614   8.872
    8    H    LYS   2           HN       LYS   2  63.827 -13.518   9.862
    9    HA   LYS   2           HA       LYS   2  63.373 -12.855   6.973
   10   1HB   LYS   2           HB2      LYS   2  61.766 -14.351   8.982
   11   2HB   LYS   2           HB1      LYS   2  60.869 -13.254   7.929
   12   1HG   LYS   2           HG2      LYS   2  62.494 -14.456   6.110
   13   2HG   LYS   2           HG1      LYS   2  62.286 -15.770   7.268
   14   1HD   LYS   2           HD2      LYS   2  59.842 -14.249   6.491
   15   2HD   LYS   2           HD1      LYS   2  60.530 -15.336   5.285
   16   1HE   LYS   2           HE2      LYS   2  58.905 -16.589   6.612
   17   2HE   LYS   2           HE1      LYS   2  60.528 -17.158   7.049
   18   1HZ   LYS   2           HZ1      LYS   2  59.213 -14.912   8.461
   19   2HZ   LYS   2           HZ3      LYS   2  59.008 -16.519   8.960
   20   3HZ   LYS   2           HZ2      LYS   2  60.557 -15.823   8.959
   21    H    GLN   3           HN       GLN   3  63.929 -10.638   7.253
   22    HA   GLN   3           HA       GLN   3  62.267  -9.102   9.223
   23   1HB   GLN   3           HB2      GLN   3  65.032  -8.853   8.081
   24   2HB   GLN   3           HB1      GLN   3  64.200  -7.391   8.612
   25   1HG   GLN   3           HG2      GLN   3  64.120  -8.078  10.837
   26   2HG   GLN   3           HG1      GLN   3  64.246  -9.787  10.419
   27   1HE2  GLN   3          HE22      GLN   3  67.729  -9.784  10.863
   28   2HE2  GLN   3          HE21      GLN   3  66.272 -10.655  10.854
   29    H    ASP   4           HN       ASP   4  60.946  -7.520   8.462
   30    HA   ASP   4           HA       ASP   4  60.205  -7.426   5.687
   31   1HB   ASP   4           HB2      ASP   4  58.835  -6.982   7.771
   32   2HB   ASP   4           HB1      ASP   4  59.670  -5.434   7.906
   33    H    TYR   5           HN       TYR   5  60.035  -5.020   4.700
   34    HA   TYR   5           HA       TYR   5  62.815  -3.913   4.760
   35   1HB   TYR   5           HB2      TYR   5  61.304  -2.934   2.539
   36   2HB   TYR   5           HB1      TYR   5  62.672  -4.046   2.512
   37    HD1  TYR   5           HD1      TYR   5  58.973  -3.814   2.718
   38    HD2  TYR   5           HD2      TYR   5  62.357  -6.404   2.182
   39    HE1  TYR   5           HE1      TYR   5  57.457  -5.650   2.029
   40    HE2  TYR   5           HE2      TYR   5  60.842  -8.241   1.489
   41    HH   TYR   5           HH       TYR   5  58.061  -8.652   2.090
   42    H    TYR   6           HN       TYR   6  60.158  -3.264   6.361
   43    HA   TYR   6           HA       TYR   6  59.759  -0.435   5.658
   44   1HB   TYR   6           HB2      TYR   6  58.118  -2.299   6.570
   45   2HB   TYR   6           HB1      TYR   6  58.720  -1.744   8.130
   46    HD1  TYR   6           HD2      TYR   6  59.175   1.110   6.412
   47    HD2  TYR   6           HD1      TYR   6  55.905  -1.398   7.640
   48    HE1  TYR   6           HE2      TYR   6  57.653   3.060   6.338
   49    HE2  TYR   6           HE1      TYR   6  54.386   0.560   7.571
   50    HH   TYR   6           HH       TYR   6  54.282   2.767   6.424
   51    H    GLU   7           HN       GLU   7  61.412  -2.379   8.073
   52    HA   GLU   7           HA       GLU   7  62.226  -0.010   9.637
   53   1HB   GLU   7           HB2      GLU   7  62.089  -2.906   9.895
   54   2HB   GLU   7           HB1      GLU   7  63.672  -2.310  10.393
   55   1HG   GLU   7           HG2      GLU   7  60.976  -1.403  11.439
   56   2HG   GLU   7           HG1      GLU   7  62.217  -2.281  12.331
   57    H    ILE   8           HN       ILE   8  63.321  -1.995   7.032
   58    HA   ILE   8           HA       ILE   8  66.152  -1.655   7.190
   59    HB   ILE   8           HB       ILE   8  64.056  -2.535   5.329
   60   1HG1  ILE   8          HG12      ILE   8  66.130  -4.050   4.715
   61   2HG1  ILE   8          HG11      ILE   8  66.815  -3.343   6.178
   62   1HG2  ILE   8          HG23      ILE   8  66.557  -1.233   4.218
   63   2HG2  ILE   8          HG22      ILE   8  65.617  -2.424   3.319
   64   3HG2  ILE   8          HG21      ILE   8  64.880  -0.892   3.788
   65   1HD1  ILE   8          HD11      ILE   8  64.164  -4.034   6.842
   66   2HD1  ILE   8          HD13      ILE   8  64.800  -5.404   5.932
   67   3HD1  ILE   8          HD12      ILE   8  65.638  -4.841   7.377
   68    H    LEU   9           HN       LEU   9  63.593   0.530   6.315
   69    HA   LEU   9           HA       LEU   9  65.460   2.386   4.941
   70   1HB   LEU   9           HB2      LEU   9  62.511   2.718   5.503
   71   2HB   LEU   9           HB1      LEU   9  63.447   3.431   4.196
   72    HG   LEU   9           HG       LEU   9  63.228   0.437   4.418
   73   1HD1  LEU   9          HD11      LEU   9  61.111   2.380   3.620
   74   2HD1  LEU   9          HD13      LEU   9  61.299   0.918   2.655
   75   3HD1  LEU   9          HD12      LEU   9  60.955   0.796   4.378
   76   1HD2  LEU   9          HD21      LEU   9  63.791   2.493   2.295
   77   2HD2  LEU   9          HD23      LEU   9  64.757   1.094   2.758
   78   3HD2  LEU   9          HD22      LEU   9  63.262   0.871   1.847
   79    H    GLY  10           HN       GLY  10  65.251   1.735   7.995
   80   1HA   GLY  10           HA2      GLY  10  65.481   2.949   9.989
   81   2HA   GLY  10           HA1      GLY  10  65.959   4.307   8.969
   82    H    VAL  11           HN       VAL  11  62.845   2.775   8.555
   83    HA   VAL  11           HA       VAL  11  61.528   5.329   9.338
   84    HB   VAL  11           HB       VAL  11  60.389   2.831   8.058
   85   1HG1  VAL  11          HG11      VAL  11  59.424   5.578   8.632
   86   2HG1  VAL  11          HG13      VAL  11  58.988   4.909   7.062
   87   3HG1  VAL  11          HG12      VAL  11  58.526   4.063   8.538
   88   1HG2  VAL  11          HG21      VAL  11  62.405   3.982   6.883
   89   2HG2  VAL  11          HG23      VAL  11  60.952   3.660   5.937
   90   3HG2  VAL  11          HG22      VAL  11  61.262   5.284   6.551
   91    H    SER  12           HN       SER  12  59.288   4.947  10.385
   92    HA   SER  12           HA       SER  12  59.659   3.365  12.823
   93   1HB   SER  12           HB2      SER  12  57.524   4.497  13.428
   94   2HB   SER  12           HB1      SER  12  58.747   5.639  12.879
   95    HG   SER  12           HG       SER  12  56.329   5.078  11.833
   96    H    LYS  13           HN       LYS  13  58.698   2.662   9.768
   97    HA   LYS  13           HA       LYS  13  57.295   1.109   8.776
   98   1HB   LYS  13           HB2      LYS  13  57.737  -1.022   9.546
   99   2HB   LYS  13           HB1      LYS  13  59.002  -0.117  10.373
  100   1HG   LYS  13           HG2      LYS  13  57.815  -0.127  12.436
  101   2HG   LYS  13           HG1      LYS  13  56.299  -0.584  11.660
  102   1HD   LYS  13           HD2      LYS  13  56.794  -2.778  11.786
  103   2HD   LYS  13           HD1      LYS  13  58.404  -2.521  11.114
  104   1HE   LYS  13           HE2      LYS  13  58.903  -1.524  13.526
  105   2HE   LYS  13           HE1      LYS  13  57.538  -2.563  13.984
  106   1HZ   LYS  13           HZ2      LYS  13  59.771  -3.509  12.277
  107   2HZ   LYS  13           HZ1      LYS  13  59.785  -3.674  13.969
  108   3HZ   LYS  13           HZ3      LYS  13  58.582  -4.443  13.053
  109    H    THR  14           HN       THR  14  56.177   3.062  10.877
  110    HA   THR  14           HA       THR  14  53.458   1.849  10.971
  111    HB   THR  14           HB       THR  14  53.244   3.104  13.165
  112    HG1  THR  14           HG1      THR  14  54.811   4.575  13.153
  113   1HG2  THR  14          HG23      THR  14  53.874   0.652  12.969
  114   2HG2  THR  14          HG22      THR  14  55.553   1.149  13.176
  115   3HG2  THR  14          HG21      THR  14  54.383   1.439  14.463
  116    H    ALA  15           HN       ALA  15  55.447   4.095   9.649
  117    HA   ALA  15           HA       ALA  15  53.752   6.480   9.750
  118   1HB   ALA  15           HB1      ALA  15  56.459   5.815   9.416
  119   2HB   ALA  15           HB3      ALA  15  55.949   6.337   7.811
  120   3HB   ALA  15           HB2      ALA  15  55.764   7.421   9.190
  121    H    GLU  16           HN       GLU  16  54.461   7.149   7.002
  122    HA   GLU  16           HA       GLU  16  53.074   5.164   5.305
  123   1HB   GLU  16           HB2      GLU  16  52.111   8.016   5.757
  124   2HB   GLU  16           HB1      GLU  16  51.395   6.858   4.630
  125   1HG   GLU  16           HG2      GLU  16  51.153   5.322   6.716
  126   2HG   GLU  16           HG1      GLU  16  51.388   6.806   7.642
  127    H    GLU  17           HN       GLU  17  52.818   8.085   3.816
  128    HA   GLU  17           HA       GLU  17  55.335   7.708   2.310
  129   1HB   GLU  17           HB2      GLU  17  54.269   9.463   0.863
  130   2HB   GLU  17           HB1      GLU  17  53.221   8.067   1.118
  131   1HG   GLU  17           HG2      GLU  17  51.756   9.234   2.456
  132   2HG   GLU  17           HG1      GLU  17  53.013  10.300   3.082
  133    H    ARG  18           HN       ARG  18  54.117   9.537   4.921
  134    HA   ARG  18           HA       ARG  18  55.601  11.986   4.572
  135   1HB   ARG  18           HB2      ARG  18  54.957  12.290   6.967
  136   2HB   ARG  18           HB1      ARG  18  53.596  11.789   5.963
  137   1HG   ARG  18           HG2      ARG  18  53.352  10.281   7.699
  138   2HG   ARG  18           HG1      ARG  18  54.446   9.354   6.677
  139   1HD   ARG  18           HD2      ARG  18  55.627   9.218   8.660
  140   2HD   ARG  18           HD1      ARG  18  56.271  10.769   8.084
  141    HE   ARG  18           HE       ARG  18  53.837  10.664   9.822
  142   1HH1  ARG  18          HH21      ARG  18  53.959  13.283   9.634
  143   2HH1  ARG  18          HH22      ARG  18  55.293  13.873  10.567
  144   1HH2  ARG  18          HH11      ARG  18  56.866  10.786  10.753
  145   2HH2  ARG  18          HH12      ARG  18  56.942  12.458  11.200
  146    H    GLU  19           HN       GLU  19  56.411   8.870   6.070
  147    HA   GLU  19           HA       GLU  19  58.955  10.081   7.044
  148   1HB   GLU  19           HB2      GLU  19  57.152   8.155   8.058
  149   2HB   GLU  19           HB1      GLU  19  58.636   7.286   7.652
  150   1HG   GLU  19           HG2      GLU  19  59.906   8.448   9.164
  151   2HG   GLU  19           HG1      GLU  19  58.943   9.916   9.003
  152    H    ILE  20           HN       ILE  20  57.669   7.546   4.949
  153    HA   ILE  20           HA       ILE  20  60.188   6.472   4.216
  154    HB   ILE  20           HB       ILE  20  57.413   6.256   3.521
  155   1HG1  ILE  20          HG12      ILE  20  58.138   4.017   2.843
  156   2HG1  ILE  20          HG11      ILE  20  59.817   4.559   2.817
  157   1HG2  ILE  20          HG22      ILE  20  59.308   6.571   1.185
  158   2HG2  ILE  20          HG21      ILE  20  57.845   5.594   1.067
  159   3HG2  ILE  20          HG23      ILE  20  57.728   7.318   1.415
  160   1HD1  ILE  20          HD11      ILE  20  58.072   4.710   5.286
  161   2HD1  ILE  20          HD13      ILE  20  59.129   3.342   4.935
  162   3HD1  ILE  20          HD12      ILE  20  59.815   4.946   5.186
  163    H    ARG  21           HN       ARG  21  58.700   9.514   3.565
  164    HA   ARG  21           HA       ARG  21  60.289  10.010   1.137
  165   1HB   ARG  21           HB2      ARG  21  58.977  11.985   0.968
  166   2HB   ARG  21           HB1      ARG  21  57.881  10.809   1.686
  167   1HG   ARG  21           HG2      ARG  21  58.440  11.684   3.938
  168   2HG   ARG  21           HG1      ARG  21  59.491  12.888   3.195
  169   1HD   ARG  21           HD2      ARG  21  56.768  12.818   2.054
  170   2HD   ARG  21           HD1      ARG  21  56.841  13.325   3.754
  171    HE   ARG  21           HE       ARG  21  58.945  14.682   2.548
  172   1HH1  ARG  21          HH11      ARG  21  56.383  14.227   0.572
  173   2HH1  ARG  21          HH12      ARG  21  55.836  15.870   0.541
  174   1HH2  ARG  21          HH21      ARG  21  57.882  16.882   3.151
  175   2HH2  ARG  21          HH22      ARG  21  56.682  17.373   2.001
  176    H    LYS  22           HN       LYS  22  60.241  11.010   4.521
  177    HA   LYS  22           HA       LYS  22  62.602  12.724   4.183
  178   1HB   LYS  22           HB2      LYS  22  60.749  13.268   5.753
  179   2HB   LYS  22           HB1      LYS  22  61.041  11.755   6.609
  180   1HG   LYS  22           HG2      LYS  22  63.552  12.878   6.568
  181   2HG   LYS  22           HG1      LYS  22  62.518  14.297   6.742
  182   1HD   LYS  22           HD2      LYS  22  63.177  13.290   8.938
  183   2HD   LYS  22           HD1      LYS  22  61.429  13.325   8.689
  184   1HE   LYS  22           HE2      LYS  22  61.277  11.048   8.636
  185   2HE   LYS  22           HE1      LYS  22  62.761  10.884   7.676
  186   1HZ   LYS  22           HZ2      LYS  22  62.707  11.666  10.541
  187   2HZ   LYS  22           HZ1      LYS  22  63.008  10.085   9.999
  188   3HZ   LYS  22           HZ3      LYS  22  64.083  11.336   9.601
  189    H    ALA  23           HN       ALA  23  61.648   9.517   5.157
  190    HA   ALA  23           HA       ALA  23  64.206   8.771   6.375
  191   1HB   ALA  23           HB2      ALA  23  61.840   7.189   5.307
  192   2HB   ALA  23           HB1      ALA  23  63.144   6.508   6.278
  193   3HB   ALA  23           HB3      ALA  23  62.065   7.717   6.974
  194    H    TYR  24           HN       TYR  24  62.548   7.811   3.332
  195    HA   TYR  24           HA       TYR  24  64.619   6.379   2.110
  196   1HB   TYR  24           HB2      TYR  24  62.406   6.586   1.147
  197   2HB   TYR  24           HB1      TYR  24  62.582   8.333   1.000
  198    HD1  TYR  24           HD2      TYR  24  65.576   6.426   0.305
  199    HD2  TYR  24           HD1      TYR  24  61.966   7.965  -1.444
  200    HE1  TYR  24           HE2      TYR  24  66.556   6.161  -1.957
  201    HE2  TYR  24           HE1      TYR  24  62.948   7.700  -3.704
  202    HH   TYR  24           HH       TYR  24  64.673   6.453  -4.822
  203    H    LYS  25           HN       LYS  25  64.057   9.890   2.193
  204    HA   LYS  25           HA       LYS  25  66.474  10.532   0.680
  205   1HB   LYS  25           HB2      LYS  25  64.085  11.759   1.292
  206   2HB   LYS  25           HB1      LYS  25  65.207  12.595   2.366
  207   1HG   LYS  25           HG2      LYS  25  66.517  12.344  -0.137
  208   2HG   LYS  25           HG1      LYS  25  64.880  12.909  -0.474
  209   1HD   LYS  25           HD2      LYS  25  65.139  14.829   0.880
  210   2HD   LYS  25           HD1      LYS  25  66.545  14.162   1.707
  211   1HE   LYS  25           HE2      LYS  25  67.073  15.944  -0.043
  212   2HE   LYS  25           HE1      LYS  25  67.911  14.398  -0.288
  213   1HZ   LYS  25           HZ3      LYS  25  65.275  15.036  -1.491
  214   2HZ   LYS  25           HZ2      LYS  25  66.746  15.275  -2.305
  215   3HZ   LYS  25           HZ1      LYS  25  66.274  13.711  -1.841
  216    H    ARG  26           HN       ARG  26  65.457  10.797   4.132
  217    HA   ARG  26           HA       ARG  26  67.924  11.886   5.101
  218   1HB   ARG  26           HB2      ARG  26  65.879  11.797   6.425
  219   2HB   ARG  26           HB1      ARG  26  65.892  10.034   6.381
  220   1HG   ARG  26           HG2      ARG  26  67.304   9.935   8.129
  221   2HG   ARG  26           HG1      ARG  26  68.432  11.038   7.339
  222   1HD   ARG  26           HD2      ARG  26  66.219  12.621   8.138
  223   2HD   ARG  26           HD1      ARG  26  66.641  11.597   9.525
  224    HE   ARG  26           HE       ARG  26  69.073  12.352   8.999
  225   1HH1  ARG  26          HH11      ARG  26  68.435  14.187   6.773
  226   2HH1  ARG  26          HH12      ARG  26  68.270  15.718   7.568
  227   1HH2  ARG  26          HH21      ARG  26  67.910  14.334  10.728
  228   2HH2  ARG  26          HH22      ARG  26  67.973  15.801   9.809
  229    H    LEU  27           HN       LEU  27  66.908   8.493   4.649
  230    HA   LEU  27           HA       LEU  27  69.392   7.410   5.722
  231   1HB   LEU  27           HB2      LEU  27  66.803   6.532   4.928
  232   2HB   LEU  27           HB1      LEU  27  67.985   5.597   4.009
  233    HG   LEU  27           HG       LEU  27  67.484   4.508   6.171
  234   1HD1  LEU  27          HD13      LEU  27  69.831   4.566   5.078
  235   2HD1  LEU  27          HD12      LEU  27  70.250   5.707   6.355
  236   3HD1  LEU  27          HD11      LEU  27  69.734   4.072   6.768
  237   1HD2  LEU  27          HD22      LEU  27  68.230   7.242   7.174
  238   2HD2  LEU  27          HD21      LEU  27  66.895   6.201   7.670
  239   3HD2  LEU  27          HD23      LEU  27  68.540   5.836   8.192
  240    H    ALA  28           HN       ALA  28  68.233   8.349   2.525
  241    HA   ALA  28           HA       ALA  28  70.281   6.937   1.040
  242   1HB   ALA  28           HB3      ALA  28  68.124   7.762   0.129
  243   2HB   ALA  28           HB2      ALA  28  68.689   9.417   0.370
  244   3HB   ALA  28           HB1      ALA  28  69.511   8.362  -0.780
  245    H    MET  29           HN       MET  29  70.060  10.015   2.698
  246    HA   MET  29           HA       MET  29  72.078  11.553   1.551
  247   1HB   MET  29           HB2      MET  29  70.620  11.909   3.617
  248   2HB   MET  29           HB1      MET  29  71.826  10.970   4.498
  249   1HG   MET  29           HG2      MET  29  73.329  12.664   4.495
  250   2HG   MET  29           HG1      MET  29  72.977  13.089   2.819
  251   1HE   MET  29           HE2      MET  29  71.844  12.779   6.205
  252   2HE   MET  29           HE1      MET  29  71.891  14.466   6.710
  253   3HE   MET  29           HE3      MET  29  70.344  13.692   6.339
  254    H    LYS  30           HN       LYS  30  72.355   8.921   3.863
  255    HA   LYS  30           HA       LYS  30  75.135   8.771   4.269
  256   1HB   LYS  30           HB2      LYS  30  72.701   7.201   4.518
  257   2HB   LYS  30           HB1      LYS  30  74.081   6.176   4.113
  258   1HG   LYS  30           HG2      LYS  30  74.908   6.362   6.200
  259   2HG   LYS  30           HG1      LYS  30  74.875   8.122   6.089
  260   1HD   LYS  30           HD2      LYS  30  72.193   7.428   6.381
  261   2HD   LYS  30           HD1      LYS  30  73.034   6.322   7.468
  262   1HE   LYS  30           HE2      LYS  30  73.933   9.165   7.529
  263   2HE   LYS  30           HE1      LYS  30  72.345   8.811   8.238
  264   1HZ   LYS  30           HZ3      LYS  30  73.381   6.960   9.453
  265   2HZ   LYS  30           HZ2      LYS  30  74.900   7.421   8.848
  266   3HZ   LYS  30           HZ1      LYS  30  74.046   8.457   9.889
  267    H    TYR  31           HN       TYR  31  73.238   8.139   1.475
  268    HA   TYR  31           HA       TYR  31  75.592   6.841   0.135
  269   1HB   TYR  31           HB2      TYR  31  72.696   6.314  -0.532
  270   2HB   TYR  31           HB1      TYR  31  74.102   5.303  -0.880
  271    HD1  TYR  31           HD2      TYR  31  75.547   4.956   1.509
  272    HD2  TYR  31           HD1      TYR  31  71.296   5.362   1.061
  273    HE1  TYR  31           HE2      TYR  31  75.208   3.747   3.648
  274    HE2  TYR  31           HE1      TYR  31  70.954   4.155   3.200
  275    HH   TYR  31           HH       TYR  31  72.949   3.837   5.470
  276    H    HIS  32           HN       HIS  32  73.212   9.348   0.024
  277    HA   HIS  32           HA       HIS  32  72.677   9.956  -2.588
  278   1HB   HIS  32           HB2      HIS  32  73.138  11.353  -0.088
  279   2HB   HIS  32           HB1      HIS  32  73.600  12.363  -1.463
  280    HD1  HIS  32           HD1      HIS  32  70.693   9.972  -0.764
  281    HD2  HIS  32           HD2      HIS  32  71.398  13.779  -2.311
  282    HE1  HIS  32           HE1      HIS  32  68.436  10.900  -1.440
  283    HA   PRO  33           HA       PRO  33  76.142  10.836  -5.098
  284   1HB   PRO  33           HB2      PRO  33  75.824  13.485  -5.819
  285   2HB   PRO  33           HB1      PRO  33  74.884  12.145  -6.504
  286   1HG   PRO  33           HG2      PRO  33  74.178  13.976  -4.245
  287   2HG   PRO  33           HG1      PRO  33  73.202  13.503  -5.652
  288   1HD   PRO  33           HD2      PRO  33  72.794  12.299  -3.344
  289   2HD   PRO  33           HD1      PRO  33  72.858  11.328  -4.835
  290    H    ASP  34           HN       ASP  34  77.584  13.361  -5.353
  291    HA   ASP  34           HA       ASP  34  79.313  14.567  -4.251
  292   1HB   ASP  34           HB2      ASP  34  77.232  14.265  -2.376
  293   2HB   ASP  34           HB1      ASP  34  78.674  13.693  -1.538
  294    H    ARG  35           HN       ARG  35  78.574  11.646  -2.330
  295    HA   ARG  35           HA       ARG  35  81.391  10.749  -2.484
  296   1HB   ARG  35           HB2      ARG  35  80.657   9.307  -0.707
  297   2HB   ARG  35           HB1      ARG  35  79.876  10.855  -0.404
  298   1HG   ARG  35           HG2      ARG  35  77.826  10.036  -1.534
  299   2HG   ARG  35           HG1      ARG  35  78.608   8.480  -1.822
  300   1HD   ARG  35           HD2      ARG  35  77.373   8.098   0.166
  301   2HD   ARG  35           HD1      ARG  35  78.993   8.482   0.782
  302    HE   ARG  35           HE       ARG  35  76.914  10.614   0.476
  303   1HH1  ARG  35          HH21      ARG  35  79.976  10.427   1.518
  304   2HH1  ARG  35          HH22      ARG  35  79.686  10.846   3.174
  305   1HH2  ARG  35          HH11      ARG  35  76.242  10.504   2.931
  306   2HH2  ARG  35          HH12      ARG  35  77.571  10.884   3.975
  307    H    ASN  36           HN       ASN  36  78.160  10.102  -3.593
  308    HA   ASN  36           HA       ASN  36  78.756   7.474  -4.789
  309   1HB   ASN  36           HB2      ASN  36  76.484   9.238  -4.129
  310   2HB   ASN  36           HB1      ASN  36  76.294   8.359  -5.637
  311   1HD2  ASN  36          HD22      ASN  36  75.342   5.451  -3.949
  312   2HD2  ASN  36          HD21      ASN  36  75.139   6.484  -5.282
  313    H    GLN  37           HN       GLN  37  78.531  10.826  -5.712
  314    HA   GLN  37           HA       GLN  37  79.093  11.857  -7.749
  315   1HB   GLN  37           HB2      GLN  37  79.431   9.120  -8.957
  316   2HB   GLN  37           HB1      GLN  37  80.291  10.604  -9.362
  317   1HG   GLN  37           HG2      GLN  37  81.064  10.431  -6.819
  318   2HG   GLN  37           HG1      GLN  37  80.738   8.718  -7.086
  319   1HE2  GLN  37          HE22      GLN  37  84.200   8.944  -8.159
  320   2HE2  GLN  37          HE21      GLN  37  83.273   8.770  -6.749
  321    H    GLY  38           HN       GLY  38  76.642  12.052  -7.302
  322   1HA   GLY  38           HA2      GLY  38  74.552  12.267  -8.357
  323   2HA   GLY  38           HA1      GLY  38  75.276  11.577  -9.814
  324    H    ASP  39           HN       ASP  39  76.070   9.131  -9.202
  325    HA   ASP  39           HA       ASP  39  74.026   7.735  -7.584
  326   1HB   ASP  39           HB2      ASP  39  72.946   8.173  -9.754
  327   2HB   ASP  39           HB1      ASP  39  74.283   7.375 -10.582
  328    H    LYS  40           HN       LYS  40  75.294   5.857 -10.123
  329    HA   LYS  40           HA       LYS  40  76.883   4.159 -10.191
  330   1HB   LYS  40           HB2      LYS  40  78.195   6.094  -8.334
  331   2HB   LYS  40           HB1      LYS  40  79.036   4.796  -9.169
  332   1HG   LYS  40           HG2      LYS  40  78.074   5.812 -11.327
  333   2HG   LYS  40           HG1      LYS  40  77.686   7.228 -10.348
  334   1HD   LYS  40           HD2      LYS  40  80.140   7.188  -9.607
  335   2HD   LYS  40           HD1      LYS  40  80.405   6.061 -10.939
  336   1HE   LYS  40           HE2      LYS  40  79.291   7.784 -12.461
  337   2HE   LYS  40           HE1      LYS  40  79.424   8.922 -11.105
  338   1HZ   LYS  40           HZ2      LYS  40  81.799   8.369 -10.961
  339   2HZ   LYS  40           HZ1      LYS  40  81.651   7.389 -12.341
  340   3HZ   LYS  40           HZ3      LYS  40  81.401   9.063 -12.461
  341    H    GLU  41           HN       GLU  41  77.178   5.253  -6.800
  342    HA   GLU  41           HA       GLU  41  76.999   2.435  -5.920
  343   1HB   GLU  41           HB2      GLU  41  78.673   3.896  -4.931
  344   2HB   GLU  41           HB1      GLU  41  77.445   5.087  -4.517
  345   1HG   GLU  41           HG2      GLU  41  76.390   3.520  -2.968
  346   2HG   GLU  41           HG1      GLU  41  77.533   2.259  -3.433
  347    H    ALA  42           HN       ALA  42  74.861   4.935  -6.612
  348    HA   ALA  42           HA       ALA  42  72.904   4.345  -4.484
  349   1HB   ALA  42           HB3      ALA  42  73.526   6.443  -6.326
  350   2HB   ALA  42           HB2      ALA  42  71.878   5.909  -6.662
  351   3HB   ALA  42           HB1      ALA  42  72.315   6.456  -5.044
  352    H    GLU  43           HN       GLU  43  73.550   3.558  -7.859
  353    HA   GLU  43           HA       GLU  43  71.098   2.630  -8.804
  354   1HB   GLU  43           HB2      GLU  43  73.423   2.667  -9.869
  355   2HB   GLU  43           HB1      GLU  43  73.724   1.139  -9.040
  356   1HG   GLU  43           HG2      GLU  43  71.451   0.409 -10.132
  357   2HG   GLU  43           HG1      GLU  43  71.777   1.735 -11.250
  358    H    ALA  44           HN       ALA  44  73.348   0.960  -6.595
  359    HA   ALA  44           HA       ALA  44  71.529  -1.357  -6.322
  360   1HB   ALA  44           HB2      ALA  44  74.303  -0.725  -5.966
  361   2HB   ALA  44           HB1      ALA  44  73.677  -1.297  -4.419
  362   3HB   ALA  44           HB3      ALA  44  73.532  -2.307  -5.858
  363    H    LYS  45           HN       LYS  45  72.038   1.708  -4.798
  364    HA   LYS  45           HA       LYS  45  70.969   0.817  -2.204
  365   1HB   LYS  45           HB2      LYS  45  72.443   3.022  -3.228
  366   2HB   LYS  45           HB1      LYS  45  70.942   3.666  -2.545
  367   1HG   LYS  45           HG2      LYS  45  71.663   3.269  -0.456
  368   2HG   LYS  45           HG1      LYS  45  71.986   1.578  -0.851
  369   1HD   LYS  45           HD2      LYS  45  73.903   3.482  -2.022
  370   2HD   LYS  45           HD1      LYS  45  73.932   3.415  -0.259
  371   1HE   LYS  45           HE2      LYS  45  73.862   0.784  -0.702
  372   2HE   LYS  45           HE1      LYS  45  74.593   1.273  -2.244
  373   1HZ   LYS  45           HZ1      LYS  45  76.185   2.630  -0.971
  374   2HZ   LYS  45           HZ3      LYS  45  75.539   2.021   0.474
  375   3HZ   LYS  45           HZ2      LYS  45  76.322   0.976  -0.612
  376    H    PHE  46           HN       PHE  46  69.802   2.209  -5.201
  377    HA   PHE  46           HA       PHE  46  67.255   3.141  -4.213
  378   1HB   PHE  46           HB2      PHE  46  68.568   2.459  -6.797
  379   2HB   PHE  46           HB1      PHE  46  66.807   2.366  -6.803
  380    HD1  PHE  46           HD1      PHE  46  69.402   4.625  -5.286
  381    HD2  PHE  46           HD2      PHE  46  65.752   4.303  -7.530
  382    HE1  PHE  46           HE1      PHE  46  69.269   7.097  -5.425
  383    HE2  PHE  46           HE2      PHE  46  65.620   6.775  -7.668
  384    HZ   PHE  46           HZ       PHE  46  67.379   8.172  -6.615
  385    H    LYS  47           HN       LYS  47  68.546   0.028  -5.250
  386    HA   LYS  47           HA       LYS  47  66.032  -1.350  -5.074
  387   1HB   LYS  47           HB2      LYS  47  67.303  -3.096  -5.934
  388   2HB   LYS  47           HB1      LYS  47  68.434  -1.797  -6.283
  389   1HG   LYS  47           HG2      LYS  47  69.918  -2.498  -4.713
  390   2HG   LYS  47           HG1      LYS  47  68.673  -3.025  -3.585
  391   1HD   LYS  47           HD2      LYS  47  69.136  -5.120  -4.258
  392   2HD   LYS  47           HD1      LYS  47  68.324  -4.697  -5.765
  393   1HE   LYS  47           HE2      LYS  47  70.319  -4.336  -6.903
  394   2HE   LYS  47           HE1      LYS  47  71.215  -3.955  -5.418
  395   1HZ   LYS  47           HZ2      LYS  47  70.090  -6.619  -6.113
  396   2HZ   LYS  47           HZ1      LYS  47  71.733  -6.196  -6.218
  397   3HZ   LYS  47           HZ3      LYS  47  70.965  -6.245  -4.706
  398    H    GLU  48           HN       GLU  48  68.185  -0.015  -2.858
  399    HA   GLU  48           HA       GLU  48  67.619  -1.986  -0.777
  400   1HB   GLU  48           HB2      GLU  48  69.249   0.563  -0.848
  401   2HB   GLU  48           HB1      GLU  48  69.128  -0.480   0.569
  402   1HG   GLU  48           HG2      GLU  48  69.873  -1.767  -2.017
  403   2HG   GLU  48           HG1      GLU  48  71.096  -0.771  -1.225
  404    H    ILE  49           HN       ILE  49  66.772   1.289  -1.720
  405    HA   ILE  49           HA       ILE  49  64.814   1.326   0.545
  406    HB   ILE  49           HB       ILE  49  66.075   3.512  -1.137
  407   1HG1  ILE  49          HG12      ILE  49  66.790   4.070   1.387
  408   2HG1  ILE  49          HG11      ILE  49  66.636   2.314   1.529
  409   1HG2  ILE  49          HG23      ILE  49  63.782   3.459   0.730
  410   2HG2  ILE  49          HG22      ILE  49  64.926   4.782   0.953
  411   3HG2  ILE  49          HG21      ILE  49  64.128   4.555  -0.604
  412   1HD1  ILE  49          HD13      ILE  49  68.205   3.706  -0.648
  413   2HD1  ILE  49          HD12      ILE  49  68.924   3.054   0.826
  414   3HD1  ILE  49          HD11      ILE  49  68.142   1.973  -0.329
  415    H    LYS  50           HN       LYS  50  65.266   2.173  -2.911
  416    HA   LYS  50           HA       LYS  50  62.470   2.742  -3.273
  417   1HB   LYS  50           HB2      LYS  50  64.560   3.470  -4.631
  418   2HB   LYS  50           HB1      LYS  50  64.420   1.902  -5.429
  419   1HG   LYS  50           HG2      LYS  50  61.935   3.532  -5.211
  420   2HG   LYS  50           HG1      LYS  50  63.159   4.084  -6.355
  421   1HD   LYS  50           HD2      LYS  50  63.159   1.465  -6.976
  422   2HD   LYS  50           HD1      LYS  50  61.498   1.613  -6.402
  423   1HE   LYS  50           HE2      LYS  50  60.876   2.994  -8.146
  424   2HE   LYS  50           HE1      LYS  50  62.488   3.724  -8.278
  425   1HZ   LYS  50           HZ1      LYS  50  63.226   1.382  -8.937
  426   2HZ   LYS  50           HZ3      LYS  50  61.584   1.076  -9.229
  427   3HZ   LYS  50           HZ2      LYS  50  62.386   2.296 -10.098
  428    H    GLU  51           HN       GLU  51  64.384  -0.220  -3.319
  429    HA   GLU  51           HA       GLU  51  62.213  -1.683  -4.730
  430   1HB   GLU  51           HB2      GLU  51  64.288  -2.480  -5.367
  431   2HB   GLU  51           HB1      GLU  51  64.998  -2.034  -3.836
  432   1HG   GLU  51           HG2      GLU  51  64.864  -4.517  -4.236
  433   2HG   GLU  51           HG1      GLU  51  64.125  -3.964  -2.734
  434    H    ALA  52           HN       ALA  52  63.556  -1.199  -1.516
  435    HA   ALA  52           HA       ALA  52  61.747  -3.170  -0.258
  436   1HB   ALA  52           HB1      ALA  52  63.998  -1.335   0.537
  437   2HB   ALA  52           HB3      ALA  52  62.956  -2.011   1.790
  438   3HB   ALA  52           HB2      ALA  52  63.874  -3.083   0.732
  439    H    TYR  53           HN       TYR  53  62.325   0.350  -0.178
  440    HA   TYR  53           HA       TYR  53  59.943   0.908   1.405
  441   1HB   TYR  53           HB2      TYR  53  61.170   2.753   1.777
  442   2HB   TYR  53           HB1      TYR  53  62.397   2.095   0.725
  443    HD1  TYR  53           HD2      TYR  53  61.174   2.359  -1.954
  444    HD2  TYR  53           HD1      TYR  53  61.085   5.021   1.412
  445    HE1  TYR  53           HE2      TYR  53  60.922   4.284  -3.484
  446    HE2  TYR  53           HE1      TYR  53  60.841   6.949  -0.119
  447    HH   TYR  53           HH       TYR  53  60.654   6.479  -3.653
  448    H    GLU  54           HN       GLU  54  60.073  -0.152  -1.649
  449    HA   GLU  54           HA       GLU  54  58.280   1.806  -2.922
  450   1HB   GLU  54           HB2      GLU  54  59.452   0.790  -4.603
  451   2HB   GLU  54           HB1      GLU  54  59.846  -0.600  -3.594
  452   1HG   GLU  54           HG2      GLU  54  57.874  -1.732  -4.149
  453   2HG   GLU  54           HG1      GLU  54  57.043  -0.252  -4.625
  454    H    VAL  55           HN       VAL  55  58.057  -1.068  -0.984
  455    HA   VAL  55           HA       VAL  55  55.165  -1.354  -1.628
  456    HB   VAL  55           HB       VAL  55  55.590  -3.575  -1.513
  457   1HG1  VAL  55          HG13      VAL  55  57.824  -2.876  -2.319
  458   2HG1  VAL  55          HG12      VAL  55  58.389  -2.848  -0.648
  459   3HG1  VAL  55          HG11      VAL  55  57.874  -4.363  -1.379
  460   1HG2  VAL  55          HG23      VAL  55  56.680  -2.970   1.244
  461   2HG2  VAL  55          HG22      VAL  55  55.108  -3.650   0.835
  462   3HG2  VAL  55          HG21      VAL  55  56.569  -4.604   0.590
  463    H    LEU  56           HN       LEU  56  56.182   0.827  -0.065
  464    HA   LEU  56           HA       LEU  56  54.891   0.179   2.552
  465   1HB   LEU  56           HB2      LEU  56  57.177   1.949   1.690
  466   2HB   LEU  56           HB1      LEU  56  56.322   2.299   3.192
  467    HG   LEU  56           HG       LEU  56  58.192   0.903   3.766
  468   1HD1  LEU  56          HD13      LEU  56  55.868   0.334   4.706
  469   2HD1  LEU  56          HD12      LEU  56  55.874  -1.026   3.581
  470   3HD1  LEU  56          HD11      LEU  56  57.105  -0.918   4.839
  471   1HD2  LEU  56          HD21      LEU  56  57.846  -0.104   1.171
  472   2HD2  LEU  56          HD23      LEU  56  59.058  -0.618   2.343
  473   3HD2  LEU  56          HD22      LEU  56  57.521  -1.474   2.233
  474    H    THR  57           HN       THR  57  54.662   1.845  -0.392
  475    HA   THR  57           HA       THR  57  52.427   3.538   0.616
  476    HB   THR  57           HB       THR  57  53.646   5.432   0.312
  477    HG1  THR  57           HG1      THR  57  53.120   5.721  -1.731
  478   1HG2  THR  57          HG23      THR  57  55.603   3.895   0.860
  479   2HG2  THR  57          HG22      THR  57  55.907   3.804  -0.875
  480   3HG2  THR  57          HG21      THR  57  56.018   5.354  -0.040
  481    H    ASP  58           HN       ASP  58  53.205   1.105  -1.307
  482    HA   ASP  58           HA       ASP  58  52.062   2.046  -3.866
  483   1HB   ASP  58           HB2      ASP  58  54.024   0.402  -3.392
  484   2HB   ASP  58           HB1      ASP  58  52.761  -0.790  -3.072
  485    H    SER  59           HN       SER  59  50.585  -0.267  -4.621
  486    HA   SER  59           HA       SER  59  47.990   0.267  -3.670
  487   1HB   SER  59           HB2      SER  59  47.708  -2.243  -4.470
  488   2HB   SER  59           HB1      SER  59  48.130  -0.989  -5.631
  489    HG   SER  59           HG       SER  59  49.446  -3.093  -5.366
  490    H    GLN  60           HN       GLN  60  48.726  -3.061  -3.045
  491    HA   GLN  60           HA       GLN  60  47.764  -2.861  -0.300
  492   1HB   GLN  60           HB2      GLN  60  48.305  -5.308  -0.346
  493   2HB   GLN  60           HB1      GLN  60  47.295  -4.795  -1.697
  494   1HG   GLN  60           HG2      GLN  60  49.903  -4.403  -2.603
  495   2HG   GLN  60           HG1      GLN  60  49.968  -5.917  -1.721
  496   1HE2  GLN  60          HE22      GLN  60  47.366  -5.713  -4.908
  497   2HE2  GLN  60          HE21      GLN  60  47.651  -4.318  -3.986
  498    H    LYS  61           HN       LYS  61  50.910  -3.126  -1.886
  499    HA   LYS  61           HA       LYS  61  53.064  -2.797  -1.054
  500   1HB   LYS  61           HB2      LYS  61  51.708  -1.640   1.380
  501   2HB   LYS  61           HB1      LYS  61  53.192  -1.120   0.606
  502   1HG   LYS  61           HG2      LYS  61  51.991  -0.256  -1.287
  503   2HG   LYS  61           HG1      LYS  61  50.478  -0.923  -0.688
  504   1HD   LYS  61           HD2      LYS  61  52.048   0.923   1.074
  505   2HD   LYS  61           HD1      LYS  61  51.048   1.607  -0.208
  506   1HE   LYS  61           HE2      LYS  61  49.153   0.110   0.709
  507   2HE   LYS  61           HE1      LYS  61  50.179  -0.085   2.143
  508   1HZ   LYS  61           HZ2      LYS  61  49.432   2.531   0.944
  509   2HZ   LYS  61           HZ1      LYS  61  48.679   1.852   2.308
  510   3HZ   LYS  61           HZ3      LYS  61  50.317   2.289   2.374
  511    H    ARG  62           HN       ARG  62  51.385  -3.240   2.041
  512    HA   ARG  62           HA       ARG  62  53.391  -5.186   2.878
  513   1HB   ARG  62           HB2      ARG  62  50.849  -4.220   4.209
  514   2HB   ARG  62           HB1      ARG  62  52.264  -4.917   5.003
  515   1HG   ARG  62           HG2      ARG  62  53.625  -3.018   4.077
  516   2HG   ARG  62           HG1      ARG  62  52.125  -2.295   3.499
  517   1HD   ARG  62           HD2      ARG  62  53.091  -1.584   5.862
  518   2HD   ARG  62           HD1      ARG  62  51.348  -1.852   5.681
  519    HE   ARG  62           HE       ARG  62  51.641  -4.076   6.675
  520   1HH1  ARG  62          HH11      ARG  62  54.736  -3.415   5.832
  521   2HH1  ARG  62          HH12      ARG  62  55.448  -3.691   7.387
  522   1HH2  ARG  62          HH21      ARG  62  52.404  -3.855   9.040
  523   2HH2  ARG  62          HH22      ARG  62  54.125  -3.945   9.204
  524    H    ALA  63           HN       ALA  63  50.621  -5.483   1.046
  525    HA   ALA  63           HA       ALA  63  50.038  -8.203   2.163
  526   1HB   ALA  63           HB3      ALA  63  48.444  -5.995   1.427
  527   2HB   ALA  63           HB2      ALA  63  48.201  -7.189   0.153
  528   3HB   ALA  63           HB1      ALA  63  47.874  -7.613   1.833
  529    H    ALA  64           HN       ALA  64  51.290  -6.397  -0.495
  530    HA   ALA  64           HA       ALA  64  51.123  -8.607  -2.451
  531   1HB   ALA  64           HB2      ALA  64  51.736  -5.716  -2.338
  532   2HB   ALA  64           HB1      ALA  64  52.699  -6.616  -3.509
  533   3HB   ALA  64           HB3      ALA  64  50.938  -6.637  -3.612
  534    H    TYR  65           HN       TYR  65  53.697  -6.650  -0.951
  535    HA   TYR  65           HA       TYR  65  55.786  -8.448  -1.905
  536   1HB   TYR  65           HB2      TYR  65  55.437  -5.825  -0.860
  537   2HB   TYR  65           HB1      TYR  65  56.613  -6.648   0.158
  538    HD1  TYR  65           HD2      TYR  65  58.634  -7.723  -0.871
  539    HD2  TYR  65           HD1      TYR  65  55.961  -5.233  -3.130
  540    HE1  TYR  65           HE2      TYR  65  60.351  -7.491  -2.645
  541    HE2  TYR  65           HE1      TYR  65  57.676  -5.001  -4.906
  542    HH   TYR  65           HH       TYR  65  59.889  -6.752  -5.561
  543    H    ASP  66           HN       ASP  66  53.866  -8.106   0.992
  544    HA   ASP  66           HA       ASP  66  55.607  -9.437   2.810
  545   1HB   ASP  66           HB2      ASP  66  53.575  -9.689   4.132
  546   2HB   ASP  66           HB1      ASP  66  53.535  -8.121   3.327
  547    H    GLN  67           HN       GLN  67  53.550 -10.581   0.220
  548    HA   GLN  67           HA       GLN  67  53.876 -13.414   1.118
  549   1HB   GLN  67           HB2      GLN  67  52.088 -13.832  -0.493
  550   2HB   GLN  67           HB1      GLN  67  51.635 -12.462   0.522
  551   1HG   GLN  67           HG2      GLN  67  52.332 -10.892  -1.204
  552   2HG   GLN  67           HG1      GLN  67  52.936 -12.213  -2.206
  553   1HE2  GLN  67          HE22      GLN  67  49.101 -11.182  -2.553
  554   2HE2  GLN  67          HE21      GLN  67  50.287 -10.203  -1.837
  555    H    TYR  68           HN       TYR  68  54.713 -11.174  -1.494
  556    HA   TYR  68           HA       TYR  68  56.046 -13.348  -3.022
  557   1HB   TYR  68           HB2      TYR  68  55.607 -10.388  -3.540
  558   2HB   TYR  68           HB1      TYR  68  56.298 -11.524  -4.700
  559    HD1  TYR  68           HD2      TYR  68  54.594 -13.930  -4.084
  560    HD2  TYR  68           HD1      TYR  68  53.575  -9.792  -4.617
  561    HE1  TYR  68           HE2      TYR  68  52.312 -14.585  -4.804
  562    HE2  TYR  68           HE1      TYR  68  51.293 -10.446  -5.338
  563    HH   TYR  68           HH       TYR  68  49.942 -12.138  -5.848
  564    H    GLY  69           HN       GLY  69  58.271 -12.590  -3.969
  565   1HA   GLY  69           HA2      GLY  69  59.858 -11.171  -1.873
  566   2HA   GLY  69           HA1      GLY  69  60.425 -12.705  -2.537
  567    H    HIS  70           HN       HIS  70  59.641 -12.284  -5.233
  568    HA   HIS  70           HA       HIS  70  60.985  -9.793  -6.117
  569   1HB   HIS  70           HB2      HIS  70  62.290 -12.305  -5.801
  570   2HB   HIS  70           HB1      HIS  70  62.133 -12.007  -7.532
  571    HD1  HIS  70           HD1      HIS  70  62.979  -9.773  -4.538
  572    HD2  HIS  70           HD2      HIS  70  64.361 -10.632  -8.376
  573    HE1  HIS  70           HE1      HIS  70  64.987  -8.279  -4.928
  574    H    ALA  71           HN       ALA  71  58.801  -9.460  -7.016
  575    HA   ALA  71           HA       ALA  71  57.182  -9.636  -8.741
  576   1HB   ALA  71           HB3      ALA  71  59.899  -9.875  -9.735
  577   2HB   ALA  71           HB2      ALA  71  58.782 -10.755 -10.777
  578   3HB   ALA  71           HB1      ALA  71  58.527  -9.039 -10.462
  579    H    ALA  72           HN       ALA  72  57.713 -12.015  -6.953
  580    HA   ALA  72           HA       ALA  72  57.804 -14.525  -8.021
  581   1HB   ALA  72           HB1      ALA  72  56.560 -13.200  -5.798
  582   2HB   ALA  72           HB3      ALA  72  55.455 -14.435  -6.403
  583   3HB   ALA  72           HB2      ALA  72  57.089 -14.879  -5.910
  584    H    PHE  73           HN       PHE  73  54.676 -12.766  -7.844
  585    HA   PHE  73           HA       PHE  73  53.926 -14.028 -10.453
  586   1HB   PHE  73           HB2      PHE  73  52.939 -14.584  -7.827
  587   2HB   PHE  73           HB1      PHE  73  51.651 -13.787  -8.732
  588    HD1  PHE  73           HD1      PHE  73  52.335 -14.668 -11.507
  589    HD2  PHE  73           HD2      PHE  73  52.235 -16.854  -7.811
  590    HE1  PHE  73           HE1      PHE  73  51.917 -16.768 -12.760
  591    HE2  PHE  73           HE2      PHE  73  51.816 -18.952  -9.064
  592    HZ   PHE  73           HZ       PHE  73  51.657 -18.910 -11.538
  593    H    GLU  74           HN       GLU  74  54.835 -11.285  -9.796
  594    HA   GLU  74           HA       GLU  74  52.389  -9.623  -9.952
  595   1HB   GLU  74           HB2      GLU  74  55.047  -9.392  -8.994
  596   2HB   GLU  74           HB1      GLU  74  54.891  -8.228 -10.312
  597   1HG   GLU  74           HG2      GLU  74  53.053  -7.136  -9.271
  598   2HG   GLU  74           HG1      GLU  74  52.815  -8.457  -8.129
  599    H    GLN  75           HN       GLN  75  54.941 -10.852 -12.028
  600    HA   GLN  75           HA       GLN  75  55.376 -10.495 -14.335
  601   1HB   GLN  75           HB2      GLN  75  52.918 -11.534 -13.837
  602   2HB   GLN  75           HB1      GLN  75  52.459 -10.089 -14.740
  603   1HG   GLN  75           HG2      GLN  75  52.766 -11.793 -16.381
  604   2HG   GLN  75           HG1      GLN  75  54.214 -10.790 -16.467
  605   1HE2  GLN  75          HE22      GLN  75  54.686 -14.325 -14.412
  606   2HE2  GLN  75          HE21      GLN  75  53.302 -13.382 -14.132
  607    H    GLY  76           HN       GLY  76  56.180  -8.215 -13.513
  608   1HA   GLY  76           HA2      GLY  76  56.356  -6.105 -14.794
  609   2HA   GLY  76           HA1      GLY  76  54.602  -6.143 -14.983
  610    H    GLY  77           HN       GLY  77  56.983  -4.609 -13.326
  611   1HA   GLY  77           HA2      GLY  77  55.080  -3.842 -11.172
  612   2HA   GLY  77           HA1      GLY  77  56.718  -4.316 -10.722
   
  No H/Q in entry =         612
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1  68.909 -11.717   8.633
    2   2H    ALA   1           HT3      ALA   1  69.997 -12.879   9.218
    3   3H    ALA   1           HT2      ALA   1  69.296 -13.071   7.683
    4    HA   ALA   1           HA       ALA   1  68.190 -14.547   9.213
    5   1HB   ALA   1           HB2      ALA   1  68.970 -12.788  11.051
    6   2HB   ALA   1           HB1      ALA   1  67.337 -12.163  10.817
    7   3HB   ALA   1           HB3      ALA   1  67.577 -13.830  11.338
    8    H    LYS   2           HN       LYS   2  67.635 -12.607   6.896
    9    HA   LYS   2           HA       LYS   2  65.737 -12.159   5.552
   10   1HB   LYS   2           HB2      LYS   2  65.222 -14.459   6.781
   11   2HB   LYS   2           HB1      LYS   2  64.022 -13.483   7.628
   12   1HG   LYS   2           HG2      LYS   2  63.315 -12.670   5.272
   13   2HG   LYS   2           HG1      LYS   2  64.225 -14.059   4.675
   14   1HD   LYS   2           HD2      LYS   2  62.621 -14.969   6.844
   15   2HD   LYS   2           HD1      LYS   2  61.582 -14.015   5.784
   16   1HE   LYS   2           HE2      LYS   2  61.485 -16.202   4.855
   17   2HE   LYS   2           HE1      LYS   2  62.695 -15.380   3.851
   18   1HZ   LYS   2           HZ3      LYS   2  64.255 -16.165   5.802
   19   2HZ   LYS   2           HZ2      LYS   2  63.077 -17.379   5.956
   20   3HZ   LYS   2           HZ1      LYS   2  63.912 -17.182   4.489
   21    H    GLN   3           HN       GLN   3  65.938  -9.861   6.127
   22    HA   GLN   3           HA       GLN   3  64.016  -8.946   8.241
   23   1HB   GLN   3           HB2      GLN   3  66.554  -7.834   7.026
   24   2HB   GLN   3           HB1      GLN   3  65.454  -6.811   7.951
   25   1HG   GLN   3           HG2      GLN   3  66.776  -7.523   9.690
   26   2HG   GLN   3           HG1      GLN   3  65.639  -8.870   9.668
   27   1HE2  GLN   3          HE22      GLN   3  69.463  -9.445   8.302
   28   2HE2  GLN   3          HE21      GLN   3  68.868  -7.867   8.490
   29    H    ASP   4           HN       ASP   4  62.253  -7.871   7.573
   30    HA   ASP   4           HA       ASP   4  61.374  -7.678   4.915
   31   1HB   ASP   4           HB2      ASP   4  60.276  -7.364   7.275
   32   2HB   ASP   4           HB1      ASP   4  60.671  -5.662   7.031
   33    H    TYR   5           HN       TYR   5  60.686  -5.123   4.272
   34    HA   TYR   5           HA       TYR   5  63.317  -3.708   4.070
   35   1HB   TYR   5           HB2      TYR   5  61.507  -2.995   1.945
   36   2HB   TYR   5           HB1      TYR   5  63.093  -3.751   1.837
   37    HD1  TYR   5           HD1      TYR   5  59.474  -4.517   2.451
   38    HD2  TYR   5           HD2      TYR   5  63.309  -5.998   1.207
   39    HE1  TYR   5           HE1      TYR   5  58.427  -6.657   1.759
   40    HE2  TYR   5           HE2      TYR   5  62.263  -8.134   0.516
   41    HH   TYR   5           HH       TYR   5  59.639  -9.287   1.489
   42    H    TYR   6           HN       TYR   6  60.934  -3.380   5.980
   43    HA   TYR   6           HA       TYR   6  59.977  -0.669   5.294
   44   1HB   TYR   6           HB2      TYR   6  58.293  -1.229   6.715
   45   2HB   TYR   6           HB1      TYR   6  58.967  -2.853   6.678
   46    HD1  TYR   6           HD1      TYR   6  59.670   0.426   8.411
   47    HD2  TYR   6           HD2      TYR   6  59.353  -3.845   8.734
   48    HE1  TYR   6           HE1      TYR   6  60.169   0.564  10.830
   49    HE2  TYR   6           HE2      TYR   6  59.845  -3.693  11.156
   50    HH   TYR   6           HH       TYR   6  60.825  -2.248  12.745
   51    H    GLU   7           HN       GLU   7  61.823  -2.265   7.877
   52    HA   GLU   7           HA       GLU   7  62.709   0.148   9.149
   53   1HB   GLU   7           HB2      GLU   7  63.000  -2.719   9.332
   54   2HB   GLU   7           HB1      GLU   7  64.583  -1.962   9.505
   55   1HG   GLU   7           HG2      GLU   7  62.613  -0.461  10.992
   56   2HG   GLU   7           HG1      GLU   7  62.564  -2.157  11.474
   57    H    ILE   8           HN       ILE   8  63.841  -1.716   6.397
   58    HA   ILE   8           HA       ILE   8  66.503  -0.996   6.108
   59    HB   ILE   8           HB       ILE   8  64.166  -1.537   4.359
   60   1HG1  ILE   8          HG12      ILE   8  65.864  -3.111   3.352
   61   2HG1  ILE   8          HG11      ILE   8  67.038  -2.496   4.516
   62   1HG2  ILE   8          HG22      ILE   8  66.595  -0.037   3.380
   63   2HG2  ILE   8          HG21      ILE   8  65.671  -1.093   2.311
   64   3HG2  ILE   8          HG23      ILE   8  64.895   0.301   3.059
   65   1HD1  ILE   8          HD13      ILE   8  64.419  -3.379   5.619
   66   2HD1  ILE   8          HD12      ILE   8  65.489  -4.647   5.020
   67   3HD1  ILE   8          HD11      ILE   8  66.040  -3.556   6.290
   68    H    LEU   9           HN       LEU   9  63.656   1.056   5.896
   69    HA   LEU   9           HA       LEU   9  65.346   3.383   5.058
   70   1HB   LEU   9           HB2      LEU   9  62.346   2.948   5.228
   71   2HB   LEU   9           HB1      LEU   9  63.122   4.404   4.607
   72    HG   LEU   9           HG       LEU   9  64.202   2.019   3.345
   73   1HD1  LEU   9          HD11      LEU   9  61.215   2.488   3.265
   74   2HD1  LEU   9          HD13      LEU   9  62.074   1.596   2.009
   75   3HD1  LEU   9          HD12      LEU   9  62.061   0.994   3.668
   76   1HD2  LEU   9          HD22      LEU   9  64.418   4.342   2.513
   77   2HD2  LEU   9          HD21      LEU   9  63.630   3.309   1.323
   78   3HD2  LEU   9          HD23      LEU   9  62.669   4.420   2.297
   79    H    GLY  10           HN       GLY  10  65.157   2.126   7.867
   80   1HA   GLY  10           HA2      GLY  10  64.830   2.854  10.090
   81   2HA   GLY  10           HA1      GLY  10  65.352   4.419   9.456
   82    H    VAL  11           HN       VAL  11  62.459   2.330   9.545
   83    HA   VAL  11           HA       VAL  11  60.808   4.771  10.041
   84    HB   VAL  11           HB       VAL  11  60.101   2.591   8.059
   85   1HG1  VAL  11          HG11      VAL  11  58.736   4.834   9.126
   86   2HG1  VAL  11          HG13      VAL  11  59.135   5.226   7.454
   87   3HG1  VAL  11          HG12      VAL  11  58.211   3.770   7.821
   88   1HG2  VAL  11          HG22      VAL  11  61.862   4.998   7.754
   89   2HG2  VAL  11          HG21      VAL  11  62.009   3.405   7.011
   90   3HG2  VAL  11          HG23      VAL  11  60.807   4.549   6.414
   91    H    SER  12           HN       SER  12  58.528   2.684   9.458
   92    HA   SER  12           HA       SER  12  58.742   0.990  11.887
   93   1HB   SER  12           HB2      SER  12  57.326   3.472  11.647
   94   2HB   SER  12           HB1      SER  12  56.153   2.172  11.833
   95    HG   SER  12           HG       SER  12  57.278   3.228  13.776
   96    H    LYS  13           HN       LYS  13  57.765   1.391   8.656
   97    HA   LYS  13           HA       LYS  13  56.787  -0.161   7.185
   98   1HB   LYS  13           HB2      LYS  13  57.069  -2.273   7.905
   99   2HB   LYS  13           HB1      LYS  13  57.476  -1.616   9.487
  100   1HG   LYS  13           HG2      LYS  13  54.908  -1.547   9.889
  101   2HG   LYS  13           HG1      LYS  13  54.817  -2.655   8.520
  102   1HD   LYS  13           HD2      LYS  13  55.930  -4.358   9.643
  103   2HD   LYS  13           HD1      LYS  13  56.773  -3.238  10.714
  104   1HE   LYS  13           HE2      LYS  13  54.697  -2.788  11.942
  105   2HE   LYS  13           HE1      LYS  13  53.794  -3.836  10.830
  106   1HZ   LYS  13           HZ2      LYS  13  55.818  -5.432  11.482
  107   2HZ   LYS  13           HZ1      LYS  13  55.675  -4.553  12.930
  108   3HZ   LYS  13           HZ3      LYS  13  54.345  -5.416  12.327
  109    H    THR  14           HN       THR  14  55.100   0.808  10.144
  110    HA   THR  14           HA       THR  14  52.449   0.469   8.888
  111    HB   THR  14           HB       THR  14  51.652   0.996  11.072
  112    HG1  THR  14           HG1      THR  14  54.212   2.121  11.550
  113   1HG2  THR  14          HG21      THR  14  53.356  -1.033  10.791
  114   2HG2  THR  14          HG23      THR  14  54.305  -0.076  11.928
  115   3HG2  THR  14          HG22      THR  14  52.683  -0.612  12.366
  116    H    ALA  15           HN       ALA  15  54.971   2.776   9.207
  117    HA   ALA  15           HA       ALA  15  53.697   5.275   9.182
  118   1HB   ALA  15           HB2      ALA  15  56.166   4.697   9.275
  119   2HB   ALA  15           HB1      ALA  15  56.094   4.375   7.543
  120   3HB   ALA  15           HB3      ALA  15  55.784   6.001   8.151
  121    H    GLU  16           HN       GLU  16  54.318   6.498   6.834
  122    HA   GLU  16           HA       GLU  16  53.004   5.048   4.609
  123   1HB   GLU  16           HB2      GLU  16  52.037   7.573   5.990
  124   2HB   GLU  16           HB1      GLU  16  51.523   7.142   4.355
  125   1HG   GLU  16           HG2      GLU  16  51.204   5.351   6.782
  126   2HG   GLU  16           HG1      GLU  16  49.923   6.359   6.107
  127    H    GLU  17           HN       GLU  17  52.964   8.359   4.127
  128    HA   GLU  17           HA       GLU  17  55.477   8.258   2.559
  129   1HB   GLU  17           HB2      GLU  17  53.018   9.969   2.746
  130   2HB   GLU  17           HB1      GLU  17  54.476  10.669   2.040
  131   1HG   GLU  17           HG2      GLU  17  53.635   7.951   1.116
  132   2HG   GLU  17           HG1      GLU  17  52.723   9.345   0.535
  133    H    ARG  18           HN       ARG  18  53.963  10.109   5.171
  134    HA   ARG  18           HA       ARG  18  55.625  12.156   5.731
  135   1HB   ARG  18           HB2      ARG  18  55.207  11.512   8.211
  136   2HB   ARG  18           HB1      ARG  18  53.808  11.770   7.172
  137   1HG   ARG  18           HG2      ARG  18  53.212   9.752   8.127
  138   2HG   ARG  18           HG1      ARG  18  54.101   9.149   6.734
  139   1HD   ARG  18           HD2      ARG  18  55.327   7.988   8.262
  140   2HD   ARG  18           HD1      ARG  18  56.107   9.544   8.607
  141    HE   ARG  18           HE       ARG  18  54.565   9.862  10.464
  142   1HH1  ARG  18          HH21      ARG  18  52.551   7.954   8.922
  143   2HH1  ARG  18          HH22      ARG  18  52.408   6.701  10.108
  144   1HH2  ARG  18          HH11      ARG  18  55.145   7.767  11.950
  145   2HH2  ARG  18          HH12      ARG  18  53.878   6.592  11.821
  146    H    GLU  19           HN       GLU  19  56.527   8.796   6.701
  147    HA   GLU  19           HA       GLU  19  59.166   9.923   7.485
  148   1HB   GLU  19           HB2      GLU  19  57.525   7.801   8.393
  149   2HB   GLU  19           HB1      GLU  19  58.978   7.062   7.710
  150   1HG   GLU  19           HG2      GLU  19  60.351   7.977   9.276
  151   2HG   GLU  19           HG1      GLU  19  59.439   9.485   9.335
  152    H    ILE  20           HN       ILE  20  57.833   7.346   5.427
  153    HA   ILE  20           HA       ILE  20  60.167   6.601   4.108
  154    HB   ILE  20           HB       ILE  20  57.288   6.555   3.729
  155   1HG1  ILE  20          HG12      ILE  20  57.831   4.316   2.858
  156   2HG1  ILE  20          HG11      ILE  20  59.539   4.755   2.821
  157   1HG2  ILE  20          HG22      ILE  20  58.986   7.127   1.346
  158   2HG2  ILE  20          HG21      ILE  20  57.738   5.898   1.175
  159   3HG2  ILE  20          HG23      ILE  20  57.300   7.540   1.643
  160   1HD1  ILE  20          HD12      ILE  20  59.386   5.234   5.291
  161   2HD1  ILE  20          HD11      ILE  20  57.760   4.552   5.262
  162   3HD1  ILE  20          HD13      ILE  20  59.148   3.538   4.869
  163    H    ARG  21           HN       ARG  21  58.378   9.625   3.959
  164    HA   ARG  21           HA       ARG  21  59.820  10.495   1.543
  165   1HB   ARG  21           HB2      ARG  21  58.263  12.274   1.546
  166   2HB   ARG  21           HB1      ARG  21  57.349  10.966   2.291
  167   1HG   ARG  21           HG2      ARG  21  57.767  11.831   4.493
  168   2HG   ARG  21           HG1      ARG  21  58.909  13.023   3.873
  169   1HD   ARG  21           HD2      ARG  21  56.287  13.174   2.558
  170   2HD   ARG  21           HD1      ARG  21  56.217  13.502   4.301
  171    HE   ARG  21           HE       ARG  21  58.214  14.871   2.537
  172   1HH1  ARG  21          HH11      ARG  21  58.430  15.397   5.429
  173   2HH1  ARG  21          HH12      ARG  21  57.455  16.812   5.642
  174   1HH2  ARG  21          HH21      ARG  21  55.805  16.456   2.614
  175   2HH2  ARG  21          HH22      ARG  21  55.967  17.411   4.050
  176    H    LYS  22           HN       LYS  22  60.353  10.495   4.878
  177    HA   LYS  22           HA       LYS  22  62.321  12.732   4.669
  178   1HB   LYS  22           HB2      LYS  22  60.332  12.624   6.397
  179   2HB   LYS  22           HB1      LYS  22  61.353  11.448   7.224
  180   1HG   LYS  22           HG2      LYS  22  63.182  13.388   6.752
  181   2HG   LYS  22           HG1      LYS  22  61.729  14.377   6.888
  182   1HD   LYS  22           HD2      LYS  22  62.893  14.037   9.079
  183   2HD   LYS  22           HD1      LYS  22  61.234  13.437   9.077
  184   1HE   LYS  22           HE2      LYS  22  61.911  11.184   9.003
  185   2HE   LYS  22           HE1      LYS  22  63.524  11.595   8.384
  186   1HZ   LYS  22           HZ2      LYS  22  62.682  12.747  10.945
  187   2HZ   LYS  22           HZ1      LYS  22  63.148  11.114  10.927
  188   3HZ   LYS  22           HZ3      LYS  22  64.236  12.311  10.416
  189    H    ALA  23           HN       ALA  23  61.730   9.362   5.229
  190    HA   ALA  23           HA       ALA  23  64.466   8.795   6.209
  191   1HB   ALA  23           HB1      ALA  23  61.918   7.297   5.647
  192   2HB   ALA  23           HB3      ALA  23  63.426   6.394   5.797
  193   3HB   ALA  23           HB2      ALA  23  62.849   7.377   7.143
  194    H    TYR  24           HN       TYR  24  62.456   8.052   3.337
  195    HA   TYR  24           HA       TYR  24  64.235   6.672   1.722
  196   1HB   TYR  24           HB2      TYR  24  62.005   7.187   0.990
  197   2HB   TYR  24           HB1      TYR  24  62.290   8.920   1.134
  198    HD1  TYR  24           HD1      TYR  24  64.118   9.956  -0.359
  199    HD2  TYR  24           HD2      TYR  24  62.395   6.087  -1.061
  200    HE1  TYR  24           HE1      TYR  24  64.890  10.042  -2.713
  201    HE2  TYR  24           HE2      TYR  24  63.166   6.171  -3.414
  202    HH   TYR  24           HH       TYR  24  65.413   8.483  -4.527
  203    H    LYS  25           HN       LYS  25  64.077  10.184   2.263
  204    HA   LYS  25           HA       LYS  25  66.488  10.668   0.638
  205   1HB   LYS  25           HB2      LYS  25  64.207  12.069   1.238
  206   2HB   LYS  25           HB1      LYS  25  65.363  12.797   2.354
  207   1HG   LYS  25           HG2      LYS  25  66.671  12.473  -0.163
  208   2HG   LYS  25           HG1      LYS  25  65.111  13.242  -0.459
  209   1HD   LYS  25           HD2      LYS  25  66.602  15.038  -0.012
  210   2HD   LYS  25           HD1      LYS  25  65.698  14.811   1.487
  211   1HE   LYS  25           HE2      LYS  25  67.601  13.302   2.274
  212   2HE   LYS  25           HE1      LYS  25  68.524  13.895   0.877
  213   1HZ   LYS  25           HZ1      LYS  25  67.562  16.179   1.783
  214   2HZ   LYS  25           HZ3      LYS  25  67.624  15.335   3.253
  215   3HZ   LYS  25           HZ2      LYS  25  69.036  15.539   2.332
  216    H    ARG  26           HN       ARG  26  65.526  10.741   4.109
  217    HA   ARG  26           HA       ARG  26  68.100  11.722   5.025
  218   1HB   ARG  26           HB2      ARG  26  66.003  11.815   6.332
  219   2HB   ARG  26           HB1      ARG  26  65.987  10.052   6.430
  220   1HG   ARG  26           HG2      ARG  26  66.941  10.974   8.486
  221   2HG   ARG  26           HG1      ARG  26  68.201  10.138   7.579
  222   1HD   ARG  26           HD2      ARG  26  69.409  12.047   7.395
  223   2HD   ARG  26           HD1      ARG  26  68.007  12.924   6.752
  224    HE   ARG  26           HE       ARG  26  67.266  12.893   9.289
  225   1HH1  ARG  26          HH21      ARG  26  69.739  14.496   7.809
  226   2HH1  ARG  26          HH22      ARG  26  70.663  14.814   9.239
  227   1HH2  ARG  26          HH11      ARG  26  68.773  12.714  11.250
  228   2HH2  ARG  26          HH12      ARG  26  70.117  13.804  11.186
  229    H    LEU  27           HN       LEU  27  66.950   8.565   4.055
  230    HA   LEU  27           HA       LEU  27  69.298   7.213   5.286
  231   1HB   LEU  27           HB2      LEU  27  66.615   6.547   4.614
  232   2HB   LEU  27           HB1      LEU  27  67.666   5.540   3.620
  233    HG   LEU  27           HG       LEU  27  67.082   4.569   5.894
  234   1HD1  LEU  27          HD12      LEU  27  70.003   5.127   5.287
  235   2HD1  LEU  27          HD11      LEU  27  69.410   3.840   6.336
  236   3HD1  LEU  27          HD13      LEU  27  69.043   3.811   4.612
  237   1HD2  LEU  27          HD23      LEU  27  67.912   7.157   6.713
  238   2HD2  LEU  27          HD22      LEU  27  67.414   5.814   7.743
  239   3HD2  LEU  27          HD21      LEU  27  69.115   6.023   7.326
  240    H    ALA  28           HN       ALA  28  68.117   8.341   2.183
  241    HA   ALA  28           HA       ALA  28  69.922   6.738   0.565
  242   1HB   ALA  28           HB1      ALA  28  67.968   8.920   0.274
  243   2HB   ALA  28           HB3      ALA  28  69.267   8.925  -0.919
  244   3HB   ALA  28           HB2      ALA  28  68.234   7.504  -0.745
  245    H    MET  29           HN       MET  29  70.093   9.792   2.262
  246    HA   MET  29           HA       MET  29  72.168  11.167   1.001
  247   1HB   MET  29           HB2      MET  29  70.890  11.640   3.146
  248   2HB   MET  29           HB1      MET  29  72.006  10.535   3.948
  249   1HG   MET  29           HG2      MET  29  73.637  12.087   4.013
  250   2HG   MET  29           HG1      MET  29  73.426  12.466   2.304
  251   1HE   MET  29           HE1      MET  29  74.147  13.784   4.922
  252   2HE   MET  29           HE3      MET  29  73.597  15.453   4.718
  253   3HE   MET  29           HE2      MET  29  72.832  14.409   5.915
  254    H    LYS  30           HN       LYS  30  72.320   8.473   3.233
  255    HA   LYS  30           HA       LYS  30  75.101   8.042   3.466
  256   1HB   LYS  30           HB2      LYS  30  72.535   6.766   3.922
  257   2HB   LYS  30           HB1      LYS  30  73.734   5.582   3.394
  258   1HG   LYS  30           HG2      LYS  30  74.558   5.568   5.490
  259   2HG   LYS  30           HG1      LYS  30  75.089   7.229   5.228
  260   1HD   LYS  30           HD2      LYS  30  72.234   7.081   5.812
  261   2HD   LYS  30           HD1      LYS  30  73.209   6.388   7.108
  262   1HE   LYS  30           HE2      LYS  30  74.161   8.409   7.655
  263   2HE   LYS  30           HE1      LYS  30  74.173   8.971   5.970
  264   1HZ   LYS  30           HZ3      LYS  30  71.624   8.870   6.218
  265   2HZ   LYS  30           HZ2      LYS  30  71.932   8.919   7.888
  266   3HZ   LYS  30           HZ1      LYS  30  72.450  10.190   6.889
  267    H    TYR  31           HN       TYR  31  72.981   7.646   0.800
  268    HA   TYR  31           HA       TYR  31  75.069   6.055  -0.667
  269   1HB   TYR  31           HB2      TYR  31  72.082   5.872  -1.108
  270   2HB   TYR  31           HB1      TYR  31  73.330   4.710  -1.574
  271    HD1  TYR  31           HD2      TYR  31  74.939   4.224   0.688
  272    HD2  TYR  31           HD1      TYR  31  70.726   5.054   0.600
  273    HE1  TYR  31           HE2      TYR  31  74.666   3.058   2.859
  274    HE2  TYR  31           HE1      TYR  31  70.453   3.891   2.774
  275    HH   TYR  31           HH       TYR  31  72.571   3.385   4.866
  276    H    HIS  32           HN       HIS  32  72.935   8.793  -0.709
  277    HA   HIS  32           HA       HIS  32  72.258   9.518  -3.198
  278   1HB   HIS  32           HB2      HIS  32  73.193  10.814  -0.846
  279   2HB   HIS  32           HB1      HIS  32  73.929  11.636  -2.227
  280    HD1  HIS  32           HD1      HIS  32  70.476  10.421  -1.139
  281    HD2  HIS  32           HD2      HIS  32  72.211  13.408  -3.474
  282    HE1  HIS  32           HE1      HIS  32  68.583  11.912  -1.918
  283    HA   PRO  33           HA       PRO  33  75.460   9.191  -6.169
  284   1HB   PRO  33           HB2      PRO  33  74.793  11.362  -7.733
  285   2HB   PRO  33           HB1      PRO  33  73.892   9.833  -7.732
  286   1HG   PRO  33           HG2      PRO  33  73.331  12.349  -6.215
  287   2HG   PRO  33           HG1      PRO  33  72.226  11.350  -7.183
  288   1HD   PRO  33           HD2      PRO  33  72.252  11.098  -4.551
  289   2HD   PRO  33           HD1      PRO  33  72.160   9.648  -5.581
  290    H    ASP  34           HN       ASP  34  76.553  11.584  -7.502
  291    HA   ASP  34           HA       ASP  34  78.239  13.222  -7.147
  292   1HB   ASP  34           HB2      ASP  34  76.423  13.387  -4.957
  293   2HB   ASP  34           HB1      ASP  34  78.047  13.420  -4.268
  294    H    ARG  35           HN       ARG  35  78.117  11.316  -4.142
  295    HA   ARG  35           HA       ARG  35  80.968  10.615  -4.351
  296   1HB   ARG  35           HB2      ARG  35  80.549   9.812  -2.116
  297   2HB   ARG  35           HB1      ARG  35  79.627  11.306  -2.269
  298   1HG   ARG  35           HG2      ARG  35  77.640   9.872  -2.959
  299   2HG   ARG  35           HG1      ARG  35  78.588   8.464  -2.481
  300   1HD   ARG  35           HD2      ARG  35  77.562   8.855  -0.448
  301   2HD   ARG  35           HD1      ARG  35  78.898  10.009  -0.260
  302    HE   ARG  35           HE       ARG  35  76.402  10.933  -1.597
  303   1HH1  ARG  35          HH11      ARG  35  79.054  12.199  -0.230
  304   2HH1  ARG  35          HH12      ARG  35  78.263  13.125   1.002
  305   1HH2  ARG  35          HH21      ARG  35  75.178  11.611   0.533
  306   2HH2  ARG  35          HH22      ARG  35  76.068  12.796   1.431
  307    H    ASN  36           HN       ASN  36  77.775   9.339  -4.838
  308    HA   ASN  36           HA       ASN  36  78.681   6.541  -5.216
  309   1HB   ASN  36           HB2      ASN  36  76.141   8.091  -4.828
  310   2HB   ASN  36           HB1      ASN  36  76.046   6.543  -5.667
  311   1HD2  ASN  36          HD22      ASN  36  76.281   4.668  -2.730
  312   2HD2  ASN  36          HD21      ASN  36  75.816   4.757  -4.358
  313    H    GLN  37           HN       GLN  37  78.050   9.369  -7.052
  314    HA   GLN  37           HA       GLN  37  77.956   9.716  -9.370
  315   1HB   GLN  37           HB2      GLN  37  78.783   6.811  -9.520
  316   2HB   GLN  37           HB1      GLN  37  79.070   8.056 -10.735
  317   1HG   GLN  37           HG2      GLN  37  80.105   8.801  -8.099
  318   2HG   GLN  37           HG1      GLN  37  80.843   7.329  -8.729
  319   1HE2  GLN  37          HE22      GLN  37  82.074  10.809 -10.207
  320   2HE2  GLN  37          HE21      GLN  37  81.258  10.627  -8.729
  321    H    GLY  38           HN       GLY  38  75.602   9.799  -8.808
  322   1HA   GLY  38           HA2      GLY  38  73.410   9.303  -9.490
  323   2HA   GLY  38           HA1      GLY  38  74.094   8.167 -10.658
  324    H    ASP  39           HN       ASP  39  75.325   6.277  -9.305
  325    HA   ASP  39           HA       ASP  39  73.731   5.446  -6.951
  326   1HB   ASP  39           HB2      ASP  39  73.634   4.112  -9.659
  327   2HB   ASP  39           HB1      ASP  39  73.152   3.280  -8.179
  328    H    LYS  40           HN       LYS  40  75.296   3.206  -9.125
  329    HA   LYS  40           HA       LYS  40  77.178   1.845  -8.855
  330   1HB   LYS  40           HB2      LYS  40  77.997   4.214  -7.228
  331   2HB   LYS  40           HB1      LYS  40  79.105   2.976  -7.788
  332   1HG   LYS  40           HG2      LYS  40  77.388   4.722  -9.579
  333   2HG   LYS  40           HG1      LYS  40  79.101   4.990  -9.260
  334   1HD   LYS  40           HD2      LYS  40  79.707   2.915 -10.306
  335   2HD   LYS  40           HD1      LYS  40  78.023   2.403 -10.403
  336   1HE   LYS  40           HE2      LYS  40  77.581   3.731 -12.230
  337   2HE   LYS  40           HE1      LYS  40  78.702   5.002 -11.701
  338   1HZ   LYS  40           HZ1      LYS  40  79.624   2.315 -12.545
  339   2HZ   LYS  40           HZ3      LYS  40  79.469   3.600 -13.641
  340   3HZ   LYS  40           HZ2      LYS  40  80.553   3.723 -12.338
  341    H    GLU  41           HN       GLU  41  77.080   3.454  -5.684
  342    HA   GLU  41           HA       GLU  41  76.910   0.764  -4.401
  343   1HB   GLU  41           HB2      GLU  41  77.731   3.553  -3.620
  344   2HB   GLU  41           HB1      GLU  41  77.201   2.448  -2.351
  345   1HG   GLU  41           HG2      GLU  41  78.887   0.833  -3.768
  346   2HG   GLU  41           HG1      GLU  41  79.668   2.401  -3.977
  347    H    ALA  42           HN       ALA  42  75.030   3.436  -5.343
  348    HA   ALA  42           HA       ALA  42  72.912   3.034  -3.330
  349   1HB   ALA  42           HB2      ALA  42  73.846   5.104  -5.022
  350   2HB   ALA  42           HB1      ALA  42  72.246   4.677  -5.627
  351   3HB   ALA  42           HB3      ALA  42  72.452   5.168  -3.945
  352    H    GLU  43           HN       GLU  43  73.945   1.664  -6.270
  353    HA   GLU  43           HA       GLU  43  71.527   1.160  -7.654
  354   1HB   GLU  43           HB2      GLU  43  73.963   0.727  -8.285
  355   2HB   GLU  43           HB1      GLU  43  73.869  -0.730  -7.295
  356   1HG   GLU  43           HG2      GLU  43  73.056  -1.779  -9.123
  357   2HG   GLU  43           HG1      GLU  43  71.579  -0.842  -8.891
  358    H    ALA  44           HN       ALA  44  73.072  -0.677  -4.991
  359    HA   ALA  44           HA       ALA  44  70.766  -2.533  -4.877
  360   1HB   ALA  44           HB2      ALA  44  73.313  -2.236  -3.238
  361   2HB   ALA  44           HB1      ALA  44  72.170  -3.569  -3.082
  362   3HB   ALA  44           HB3      ALA  44  73.070  -3.350  -4.584
  363    H    LYS  45           HN       LYS  45  71.881   0.391  -3.309
  364    HA   LYS  45           HA       LYS  45  70.050  -0.047  -1.031
  365   1HB   LYS  45           HB2      LYS  45  72.404   1.460  -1.537
  366   2HB   LYS  45           HB1      LYS  45  71.114   2.614  -1.165
  367   1HG   LYS  45           HG2      LYS  45  71.230   2.050   1.004
  368   2HG   LYS  45           HG1      LYS  45  70.833   0.382   0.589
  369   1HD   LYS  45           HD2      LYS  45  73.567   0.952  -0.135
  370   2HD   LYS  45           HD1      LYS  45  73.297   1.340   1.566
  371   1HE   LYS  45           HE2      LYS  45  72.095  -0.958   1.696
  372   2HE   LYS  45           HE1      LYS  45  72.921  -1.309   0.165
  373   1HZ   LYS  45           HZ3      LYS  45  74.300  -0.249   2.571
  374   2HZ   LYS  45           HZ2      LYS  45  74.226  -1.903   2.191
  375   3HZ   LYS  45           HZ1      LYS  45  75.017  -0.824   1.145
  376    H    PHE  46           HN       PHE  46  70.347   2.049  -3.904
  377    HA   PHE  46           HA       PHE  46  68.090   3.700  -3.504
  378   1HB   PHE  46           HB2      PHE  46  69.699   3.945  -5.356
  379   2HB   PHE  46           HB1      PHE  46  69.188   2.394  -6.024
  380    HD1  PHE  46           HD1      PHE  46  67.723   5.677  -4.937
  381    HD2  PHE  46           HD2      PHE  46  67.561   2.388  -7.695
  382    HE1  PHE  46           HE1      PHE  46  65.905   6.812  -6.185
  383    HE2  PHE  46           HE2      PHE  46  65.743   3.522  -8.944
  384    HZ   PHE  46           HZ       PHE  46  64.914   5.734  -8.187
  385    H    LYS  47           HN       LYS  47  68.335   0.333  -4.527
  386    HA   LYS  47           HA       LYS  47  65.537   0.054  -5.121
  387   1HB   LYS  47           HB2      LYS  47  66.299  -2.029  -5.818
  388   2HB   LYS  47           HB1      LYS  47  67.887  -1.299  -5.645
  389   1HG   LYS  47           HG2      LYS  47  68.281  -2.345  -3.613
  390   2HG   LYS  47           HG1      LYS  47  66.574  -2.653  -3.308
  391   1HD   LYS  47           HD2      LYS  47  68.217  -3.890  -5.519
  392   2HD   LYS  47           HD1      LYS  47  67.729  -4.704  -4.031
  393   1HE   LYS  47           HE2      LYS  47  65.312  -4.034  -4.717
  394   2HE   LYS  47           HE1      LYS  47  66.010  -3.799  -6.332
  395   1HZ   LYS  47           HZ2      LYS  47  66.503  -6.240  -4.725
  396   2HZ   LYS  47           HZ1      LYS  47  65.205  -6.123  -5.815
  397   3HZ   LYS  47           HZ3      LYS  47  66.798  -5.999  -6.381
  398    H    GLU  48           HN       GLU  48  67.778  -0.745  -2.450
  399    HA   GLU  48           HA       GLU  48  65.840  -1.629  -0.594
  400   1HB   GLU  48           HB2      GLU  48  68.383  -0.014  -0.232
  401   2HB   GLU  48           HB1      GLU  48  67.528  -0.811   1.088
  402   1HG   GLU  48           HG2      GLU  48  68.041  -2.591  -1.183
  403   2HG   GLU  48           HG1      GLU  48  69.517  -1.967  -0.447
  404    H    ILE  49           HN       ILE  49  66.472   1.468  -1.989
  405    HA   ILE  49           HA       ILE  49  64.911   2.883   0.074
  406    HB   ILE  49           HB       ILE  49  66.235   3.763  -2.511
  407   1HG1  ILE  49          HG12      ILE  49  68.140   3.499  -1.285
  408   2HG1  ILE  49          HG11      ILE  49  67.611   4.954  -0.447
  409   1HG2  ILE  49          HG22      ILE  49  64.301   5.119  -1.649
  410   2HG2  ILE  49          HG21      ILE  49  65.256   5.442  -0.203
  411   3HG2  ILE  49          HG23      ILE  49  65.822   5.999  -1.778
  412   1HD1  ILE  49          HD11      ILE  49  66.321   3.424   1.125
  413   2HD1  ILE  49          HD13      ILE  49  67.210   2.084   0.398
  414   3HD1  ILE  49          HD12      ILE  49  68.078   3.358   1.256
  415    H    LYS  50           HN       LYS  50  64.812   3.016  -3.484
  416    HA   LYS  50           HA       LYS  50  61.959   3.562  -3.376
  417   1HB   LYS  50           HB2      LYS  50  63.938   4.292  -5.023
  418   2HB   LYS  50           HB1      LYS  50  63.384   2.872  -5.913
  419   1HG   LYS  50           HG2      LYS  50  61.000   4.045  -5.317
  420   2HG   LYS  50           HG1      LYS  50  62.031   5.468  -5.471
  421   1HD   LYS  50           HD2      LYS  50  62.792   4.672  -7.685
  422   2HD   LYS  50           HD1      LYS  50  61.736   3.266  -7.536
  423   1HE   LYS  50           HE2      LYS  50  60.064   4.507  -8.429
  424   2HE   LYS  50           HE1      LYS  50  60.126   5.547  -6.992
  425   1HZ   LYS  50           HZ3      LYS  50  62.148   5.830  -9.115
  426   2HZ   LYS  50           HZ2      LYS  50  60.633   6.579  -9.289
  427   3HZ   LYS  50           HZ1      LYS  50  61.633   6.974  -7.973
  428    H    GLU  51           HN       GLU  51  63.881   0.646  -3.638
  429    HA   GLU  51           HA       GLU  51  61.677  -0.832  -4.938
  430   1HB   GLU  51           HB2      GLU  51  64.229  -1.114  -5.297
  431   2HB   GLU  51           HB1      GLU  51  64.244  -1.903  -3.727
  432   1HG   GLU  51           HG2      GLU  51  64.013  -3.350  -5.845
  433   2HG   GLU  51           HG1      GLU  51  62.990  -3.698  -4.454
  434    H    ALA  52           HN       ALA  52  63.119  -0.264  -1.802
  435    HA   ALA  52           HA       ALA  52  61.485  -2.315  -0.433
  436   1HB   ALA  52           HB1      ALA  52  63.945  -1.222  -0.060
  437   2HB   ALA  52           HB3      ALA  52  62.990  -0.197   1.010
  438   3HB   ALA  52           HB2      ALA  52  63.011  -1.942   1.251
  439    H    TYR  53           HN       TYR  53  61.948   1.199  -0.225
  440    HA   TYR  53           HA       TYR  53  59.585   1.662   1.371
  441   1HB   TYR  53           HB2      TYR  53  60.799   3.519   1.722
  442   2HB   TYR  53           HB1      TYR  53  61.981   2.898   0.594
  443    HD1  TYR  53           HD2      TYR  53  60.833   3.159  -1.997
  444    HD2  TYR  53           HD1      TYR  53  60.433   5.769   1.379
  445    HE1  TYR  53           HE2      TYR  53  60.442   5.066  -3.523
  446    HE2  TYR  53           HE1      TYR  53  60.048   7.683  -0.141
  447    HH   TYR  53           HH       TYR  53  59.266   7.333  -3.370
  448    H    GLU  54           HN       GLU  54  59.713   0.728  -1.781
  449    HA   GLU  54           HA       GLU  54  57.871   2.647  -2.982
  450   1HB   GLU  54           HB2      GLU  54  58.981   1.602  -4.673
  451   2HB   GLU  54           HB1      GLU  54  59.362   0.202  -3.674
  452   1HG   GLU  54           HG2      GLU  54  57.274  -0.834  -4.154
  453   2HG   GLU  54           HG1      GLU  54  56.592   0.662  -4.796
  454    H    VAL  55           HN       VAL  55  57.597  -0.341  -1.136
  455    HA   VAL  55           HA       VAL  55  54.653  -0.312  -1.623
  456    HB   VAL  55           HB       VAL  55  54.894  -2.543  -1.844
  457   1HG1  VAL  55          HG13      VAL  55  57.270  -1.843  -2.504
  458   2HG1  VAL  55          HG12      VAL  55  57.751  -2.495  -0.937
  459   3HG1  VAL  55          HG11      VAL  55  56.979  -3.539  -2.130
  460   1HG2  VAL  55          HG21      VAL  55  56.147  -2.494   0.922
  461   2HG2  VAL  55          HG23      VAL  55  54.444  -2.756   0.553
  462   3HG2  VAL  55          HG22      VAL  55  55.640  -3.952   0.079
  463    H    LEU  56           HN       LEU  56  56.589   1.145   0.416
  464    HA   LEU  56           HA       LEU  56  55.455   0.325   2.997
  465   1HB   LEU  56           HB2      LEU  56  57.555   2.011   1.868
  466   2HB   LEU  56           HB1      LEU  56  56.748   2.789   3.234
  467    HG   LEU  56           HG       LEU  56  58.655   1.415   3.998
  468   1HD1  LEU  56          HD11      LEU  56  55.910   1.167   4.846
  469   2HD1  LEU  56          HD13      LEU  56  56.756  -0.354   5.133
  470   3HD1  LEU  56          HD12      LEU  56  57.374   1.145   5.829
  471   1HD2  LEU  56          HD22      LEU  56  57.821  -0.318   1.986
  472   2HD2  LEU  56          HD21      LEU  56  59.044  -0.669   3.206
  473   3HD2  LEU  56          HD23      LEU  56  57.372  -1.161   3.469
  474    H    THR  57           HN       THR  57  54.183   1.978   0.436
  475    HA   THR  57           HA       THR  57  52.514   3.741   2.205
  476    HB   THR  57           HB       THR  57  53.173   5.470   0.884
  477    HG1  THR  57           HG1      THR  57  51.580   5.276  -0.521
  478   1HG2  THR  57          HG22      THR  57  55.266   4.078   0.570
  479   2HG2  THR  57          HG21      THR  57  54.579   3.513  -0.953
  480   3HG2  THR  57          HG23      THR  57  54.944   5.223  -0.731
  481    H    ASP  58           HN       ASP  58  52.319   0.895   0.947
  482    HA   ASP  58           HA       ASP  58  49.522   1.228  -0.047
  483   1HB   ASP  58           HB2      ASP  58  51.210   1.179  -1.911
  484   2HB   ASP  58           HB1      ASP  58  51.708  -0.421  -1.356
  485    H    SER  59           HN       SER  59  48.191  -0.330   0.851
  486    HA   SER  59           HA       SER  59  49.254  -2.198   2.804
  487   1HB   SER  59           HB2      SER  59  46.935  -2.629   3.213
  488   2HB   SER  59           HB1      SER  59  47.047  -0.923   2.790
  489    HG   SER  59           HG       SER  59  46.268  -1.370   0.787
  490    H    GLN  60           HN       GLN  60  47.679  -2.646  -0.395
  491    HA   GLN  60           HA       GLN  60  47.657  -5.470  -0.493
  492   1HB   GLN  60           HB2      GLN  60  47.731  -5.056  -2.961
  493   2HB   GLN  60           HB1      GLN  60  46.618  -3.960  -2.134
  494   1HG   GLN  60           HG2      GLN  60  48.755  -2.433  -1.926
  495   2HG   GLN  60           HG1      GLN  60  49.323  -3.384  -3.299
  496   1HE2  GLN  60          HE22      GLN  60  45.966  -1.042  -3.806
  497   2HE2  GLN  60          HE21      GLN  60  46.329  -1.644  -2.262
  498    H    LYS  61           HN       LYS  61  50.245  -3.170  -1.141
  499    HA   LYS  61           HA       LYS  61  52.172  -4.998  -2.205
  500   1HB   LYS  61           HB2      LYS  61  51.851  -2.236  -1.299
  501   2HB   LYS  61           HB1      LYS  61  53.455  -2.867  -0.987
  502   1HG   LYS  61           HG2      LYS  61  53.701  -3.510  -3.333
  503   2HG   LYS  61           HG1      LYS  61  52.043  -3.005  -3.660
  504   1HD   LYS  61           HD2      LYS  61  53.089  -0.742  -2.512
  505   2HD   LYS  61           HD1      LYS  61  54.483  -1.368  -3.391
  506   1HE   LYS  61           HE2      LYS  61  52.674  -1.691  -5.329
  507   2HE   LYS  61           HE1      LYS  61  51.865  -0.376  -4.452
  508   1HZ   LYS  61           HZ2      LYS  61  54.756  -0.173  -4.849
  509   2HZ   LYS  61           HZ1      LYS  61  53.766   0.108  -6.201
  510   3HZ   LYS  61           HZ3      LYS  61  53.580   1.054  -4.805
  511    H    ARG  62           HN       ARG  62  51.840  -3.477   1.023
  512    HA   ARG  62           HA       ARG  62  53.883  -4.768   2.402
  513   1HB   ARG  62           HB2      ARG  62  51.022  -4.156   3.228
  514   2HB   ARG  62           HB1      ARG  62  52.328  -4.496   4.365
  515   1HG   ARG  62           HG2      ARG  62  53.441  -2.502   3.891
  516   2HG   ARG  62           HG1      ARG  62  52.695  -2.351   2.298
  517   1HD   ARG  62           HD2      ARG  62  51.149  -0.973   3.217
  518   2HD   ARG  62           HD1      ARG  62  50.574  -2.336   4.197
  519    HE   ARG  62           HE       ARG  62  53.018  -1.074   5.215
  520   1HH1  ARG  62          HH21      ARG  62  51.995  -1.967   7.463
  521   2HH1  ARG  62          HH22      ARG  62  50.764  -0.882   8.018
  522   1HH2  ARG  62          HH11      ARG  62  50.376   0.674   4.943
  523   2HH2  ARG  62          HH12      ARG  62  49.849   0.615   6.592
  524    H    ALA  63           HN       ALA  63  50.888  -6.062   1.169
  525    HA   ALA  63           HA       ALA  63  51.249  -8.668   2.546
  526   1HB   ALA  63           HB2      ALA  63  49.036  -7.370   2.134
  527   2HB   ALA  63           HB1      ALA  63  49.196  -7.894   0.458
  528   3HB   ALA  63           HB3      ALA  63  49.040  -9.089   1.745
  529    H    ALA  64           HN       ALA  64  51.587  -7.089  -0.571
  530    HA   ALA  64           HA       ALA  64  52.131  -9.543  -2.089
  531   1HB   ALA  64           HB3      ALA  64  51.140  -7.244  -2.842
  532   2HB   ALA  64           HB2      ALA  64  52.815  -6.694  -2.843
  533   3HB   ALA  64           HB1      ALA  64  52.319  -8.011  -3.905
  534    H    TYR  65           HN       TYR  65  54.033  -6.656  -1.227
  535    HA   TYR  65           HA       TYR  65  56.588  -7.736  -1.938
  536   1HB   TYR  65           HB2      TYR  65  55.549  -5.346  -1.184
  537   2HB   TYR  65           HB1      TYR  65  56.310  -5.823   0.320
  538    HD1  TYR  65           HD1      TYR  65  57.285  -6.429  -3.244
  539    HD2  TYR  65           HD2      TYR  65  58.340  -4.666   0.527
  540    HE1  TYR  65           HE1      TYR  65  59.510  -5.821  -4.152
  541    HE2  TYR  65           HE2      TYR  65  60.567  -4.055  -0.381
  542    HH   TYR  65           HH       TYR  65  61.626  -3.670  -2.543
  543    H    ASP  66           HN       ASP  66  54.531  -7.958   0.860
  544    HA   ASP  66           HA       ASP  66  56.170  -8.593   2.930
  545   1HB   ASP  66           HB2      ASP  66  54.116  -9.091   3.763
  546   2HB   ASP  66           HB1      ASP  66  53.478  -9.033   2.124
  547    H    GLN  67           HN       GLN  67  55.213 -10.824   0.304
  548    HA   GLN  67           HA       GLN  67  57.660 -12.133  -0.045
  549   1HB   GLN  67           HB2      GLN  67  56.322 -12.774   2.469
  550   2HB   GLN  67           HB1      GLN  67  56.635 -14.219   1.505
  551   1HG   GLN  67           HG2      GLN  67  58.900 -12.380   1.474
  552   2HG   GLN  67           HG1      GLN  67  58.488 -12.891   3.112
  553   1HE2  GLN  67          HE22      GLN  67  59.049 -16.415   2.319
  554   2HE2  GLN  67          HE21      GLN  67  57.933 -15.443   3.148
  555    H    TYR  68           HN       TYR  68  55.924 -11.712  -1.944
  556    HA   TYR  68           HA       TYR  68  54.325 -14.220  -2.322
  557   1HB   TYR  68           HB2      TYR  68  53.807 -11.425  -2.642
  558   2HB   TYR  68           HB1      TYR  68  53.746 -12.174  -4.242
  559    HD1  TYR  68           HD1      TYR  68  52.261 -14.173  -4.624
  560    HD2  TYR  68           HD2      TYR  68  52.099 -11.841  -1.019
  561    HE1  TYR  68           HE1      TYR  68  50.043 -15.144  -4.094
  562    HE2  TYR  68           HE2      TYR  68  49.879 -12.814  -0.491
  563    HH   TYR  68           HH       TYR  68  48.015 -14.456  -2.728
  564    H    GLY  69           HN       GLY  69  55.737 -11.842  -4.585
  565   1HA   GLY  69           HA2      GLY  69  57.031 -12.170  -6.513
  566   2HA   GLY  69           HA1      GLY  69  57.814 -13.468  -5.611
  567    H    HIS  70           HN       HIS  70  54.372 -13.582  -6.160
  568    HA   HIS  70           HA       HIS  70  54.798 -15.682  -8.252
  569   1HB   HIS  70           HB2      HIS  70  54.265 -16.429  -5.858
  570   2HB   HIS  70           HB1      HIS  70  52.682 -15.675  -6.087
  571    HD1  HIS  70           HD1      HIS  70  54.808 -17.945  -8.320
  572    HD2  HIS  70           HD2      HIS  70  50.935 -17.677  -6.804
  573    HE1  HIS  70           HE1      HIS  70  53.524 -19.903  -9.287
  574    H    ALA  71           HN       ALA  71  51.577 -15.532  -7.605
  575    HA   ALA  71           HA       ALA  71  51.032 -13.902  -9.981
  576   1HB   ALA  71           HB1      ALA  71  49.314 -15.344  -7.939
  577   2HB   ALA  71           HB3      ALA  71  48.689 -14.599  -9.410
  578   3HB   ALA  71           HB2      ALA  71  49.806 -15.962  -9.516
  579    H    ALA  72           HN       ALA  72  51.941 -12.976  -7.030
  580    HA   ALA  72           HA       ALA  72  50.108 -11.364  -5.763
  581   1HB   ALA  72           HB2      ALA  72  53.011 -11.178  -6.422
  582   2HB   ALA  72           HB1      ALA  72  52.255  -9.745  -5.726
  583   3HB   ALA  72           HB3      ALA  72  52.224 -11.272  -4.848
  584    H    PHE  73           HN       PHE  73  52.301  -9.474  -7.752
  585    HA   PHE  73           HA       PHE  73  49.924  -8.106  -8.974
  586   1HB   PHE  73           HB2      PHE  73  52.197  -7.221  -7.449
  587   2HB   PHE  73           HB1      PHE  73  52.279  -6.503  -9.058
  588    HD1  PHE  73           HD1      PHE  73  49.873  -5.679  -9.973
  589    HD2  PHE  73           HD2      PHE  73  50.977  -6.068  -5.840
  590    HE1  PHE  73           HE1      PHE  73  48.093  -4.070  -9.345
  591    HE2  PHE  73           HE2      PHE  73  49.196  -4.460  -5.214
  592    HZ   PHE  73           HZ       PHE  73  47.754  -3.461  -6.966
  593    H    GLU  74           HN       GLU  74  52.498 -10.141  -9.681
  594    HA   GLU  74           HA       GLU  74  53.554 -10.754 -11.707
  595   1HB   GLU  74           HB2      GLU  74  50.807  -9.932 -12.171
  596   2HB   GLU  74           HB1      GLU  74  51.801  -9.614 -13.594
  597   1HG   GLU  74           HG2      GLU  74  52.499 -11.894 -13.735
  598   2HG   GLU  74           HG1      GLU  74  51.866 -12.260 -12.131
  599    H    GLN  75           HN       GLN  75  55.325  -9.192 -11.291
  600    HA   GLN  75           HA       GLN  75  55.116  -6.653 -12.863
  601   1HB   GLN  75           HB2      GLN  75  56.072  -7.375 -10.281
  602   2HB   GLN  75           HB1      GLN  75  57.473  -6.883 -11.232
  603   1HG   GLN  75           HG2      GLN  75  56.570  -4.741 -11.670
  604   2HG   GLN  75           HG1      GLN  75  54.942  -5.241 -11.208
  605   1HE2  GLN  75          HE22      GLN  75  55.539  -4.882  -7.698
  606   2HE2  GLN  75          HE21      GLN  75  54.557  -5.650  -8.851
  607    H    GLY  76           HN       GLY  76  55.580  -7.693 -14.931
  608   1HA   GLY  76           HA2      GLY  76  57.716  -7.595 -16.328
  609   2HA   GLY  76           HA1      GLY  76  58.374  -8.739 -15.158
  610    H    GLY  77           HN       GLY  77  55.714 -10.114 -14.952
  611   1HA   GLY  77           HA2      GLY  77  54.341 -11.235 -16.823
  612   2HA   GLY  77           HA1      GLY  77  55.913 -11.636 -17.518
   
  No H/Q in entry =         612
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1  67.602 -11.055   7.362
    2   2H    ALA   1           HT3      ALA   1  69.122 -11.798   7.462
    3   3H    ALA   1           HT2      ALA   1  68.418 -11.510   5.943
    4    HA   ALA   1           HA       ALA   1  68.153 -13.831   6.443
    5   1HB   ALA   1           HB2      ALA   1  67.748 -12.590   9.061
    6   2HB   ALA   1           HB1      ALA   1  66.540 -13.829   8.721
    7   3HB   ALA   1           HB3      ALA   1  68.257 -14.234   8.674
    8    H    LYS   2           HN       LYS   2  65.728 -11.409   7.498
    9    HA   LYS   2           HA       LYS   2  64.000 -11.952   5.230
   10   1HB   LYS   2           HB2      LYS   2  62.207 -13.065   6.543
   11   2HB   LYS   2           HB1      LYS   2  63.690 -14.019   6.544
   12   1HG   LYS   2           HG2      LYS   2  63.842 -12.189   8.727
   13   2HG   LYS   2           HG1      LYS   2  62.261 -12.970   8.792
   14   1HD   LYS   2           HD2      LYS   2  64.404 -14.851   8.142
   15   2HD   LYS   2           HD1      LYS   2  64.647 -14.067   9.704
   16   1HE   LYS   2           HE2      LYS   2  62.142 -14.628  10.141
   17   2HE   LYS   2           HE1      LYS   2  62.330 -15.781   8.804
   18   1HZ   LYS   2           HZ2      LYS   2  64.392 -15.648  10.895
   19   2HZ   LYS   2           HZ1      LYS   2  62.954 -16.495  11.214
   20   3HZ   LYS   2           HZ3      LYS   2  63.938 -16.959   9.914
   21    H    GLN   3           HN       GLN   3  64.515  -9.518   5.557
   22    HA   GLN   3           HA       GLN   3  62.676  -8.283   7.576
   23   1HB   GLN   3           HB2      GLN   3  64.137  -6.340   7.349
   24   2HB   GLN   3           HB1      GLN   3  65.135  -7.770   7.619
   25   1HG   GLN   3           HG2      GLN   3  64.950  -7.806   4.905
   26   2HG   GLN   3           HG1      GLN   3  64.889  -6.069   5.208
   27   1HE2  GLN   3          HE22      GLN   3  68.452  -7.703   5.223
   28   2HE2  GLN   3          HE21      GLN   3  67.102  -8.226   4.338
   29    H    ASP   4           HN       ASP   4  61.259  -6.630   6.883
   30    HA   ASP   4           HA       ASP   4  60.355  -6.866   4.089
   31   1HB   ASP   4           HB2      ASP   4  58.871  -6.893   6.093
   32   2HB   ASP   4           HB1      ASP   4  59.368  -5.240   6.453
   33    H    TYR   5           HN       TYR   5  62.931  -5.386   5.032
   34    HA   TYR   5           HA       TYR   5  64.062  -3.376   4.557
   35   1HB   TYR   5           HB2      TYR   5  62.578  -2.606   2.232
   36   2HB   TYR   5           HB1      TYR   5  64.168  -3.361   2.310
   37    HD1  TYR   5           HD1      TYR   5  64.012  -5.994   2.994
   38    HD2  TYR   5           HD2      TYR   5  60.964  -3.725   0.994
   39    HE1  TYR   5           HE1      TYR   5  63.059  -8.090   2.070
   40    HE2  TYR   5           HE2      TYR   5  60.011  -5.820   0.068
   41    HH   TYR   5           HH       TYR   5  61.145  -8.284  -0.443
   42    H    TYR   6           HN       TYR   6  61.302  -3.225   6.006
   43    HA   TYR   6           HA       TYR   6  60.440  -0.500   5.282
   44   1HB   TYR   6           HB2      TYR   6  59.032  -2.582   5.974
   45   2HB   TYR   6           HB1      TYR   6  59.499  -2.137   7.614
   46    HD1  TYR   6           HD1      TYR   6  59.610   0.914   6.177
   47    HD2  TYR   6           HD2      TYR   6  56.694  -2.110   7.084
   48    HE1  TYR   6           HE1      TYR   6  57.834   2.643   6.232
   49    HE2  TYR   6           HE2      TYR   6  54.920  -0.380   7.135
   50    HH   TYR   6           HH       TYR   6  54.484   1.807   7.094
   51    H    GLU   7           HN       GLU   7  62.387  -2.171   7.621
   52    HA   GLU   7           HA       GLU   7  62.686   0.202   9.365
   53   1HB   GLU   7           HB2      GLU   7  63.178  -2.676   9.402
   54   2HB   GLU   7           HB1      GLU   7  64.576  -1.776   9.992
   55   1HG   GLU   7           HG2      GLU   7  62.203  -0.594  11.087
   56   2HG   GLU   7           HG1      GLU   7  62.151  -2.333  11.379
   57    H    ILE   8           HN       ILE   8  64.132  -1.312   6.618
   58    HA   ILE   8           HA       ILE   8  66.841  -0.558   6.786
   59    HB   ILE   8           HB       ILE   8  64.852  -1.390   4.801
   60   1HG1  ILE   8          HG12      ILE   8  67.140  -2.429   3.938
   61   2HG1  ILE   8          HG11      ILE   8  67.704  -1.924   5.531
   62   1HG2  ILE   8          HG23      ILE   8  65.563   0.765   3.752
   63   2HG2  ILE   8          HG22      ILE   8  67.233   0.201   3.801
   64   3HG2  ILE   8          HG21      ILE   8  66.044  -0.646   2.811
   65   1HD1  ILE   8          HD11      ILE   8  65.213  -3.110   6.009
   66   2HD1  ILE   8          HD13      ILE   8  65.984  -4.157   4.817
   67   3HD1  ILE   8          HD12      ILE   8  66.792  -3.817   6.348
   68    H    LEU   9           HN       LEU   9  64.101   1.318   5.365
   69    HA   LEU   9           HA       LEU   9  65.721   3.617   4.722
   70   1HB   LEU   9           HB2      LEU   9  62.761   3.387   5.341
   71   2HB   LEU   9           HB1      LEU   9  63.532   4.677   4.417
   72    HG   LEU   9           HG       LEU   9  64.306   2.126   3.328
   73   1HD1  LEU   9          HD13      LEU   9  61.352   2.618   3.713
   74   2HD1  LEU   9          HD12      LEU   9  61.994   1.525   2.487
   75   3HD1  LEU   9          HD11      LEU   9  62.274   1.197   4.198
   76   1HD2  LEU   9          HD22      LEU   9  64.177   4.501   2.318
   77   2HD2  LEU   9          HD21      LEU   9  63.658   3.163   1.294
   78   3HD2  LEU   9          HD23      LEU   9  62.458   4.175   2.099
   79    H    GLY  10           HN       GLY  10  64.923   2.382   7.747
   80   1HA   GLY  10           HA2      GLY  10  65.469   3.354   9.851
   81   2HA   GLY  10           HA1      GLY  10  65.663   4.915   9.049
   82    H    VAL  11           HN       VAL  11  62.840   3.172   8.229
   83    HA   VAL  11           HA       VAL  11  61.133   5.225   9.462
   84    HB   VAL  11           HB       VAL  11  60.351   2.703   7.984
   85   1HG1  VAL  11          HG11      VAL  11  59.084   5.368   8.556
   86   2HG1  VAL  11          HG13      VAL  11  58.584   4.434   7.146
   87   3HG1  VAL  11          HG12      VAL  11  58.413   3.751   8.763
   88   1HG2  VAL  11          HG23      VAL  11  62.178   4.290   6.885
   89   2HG2  VAL  11          HG22      VAL  11  60.847   3.649   5.928
   90   3HG2  VAL  11          HG21      VAL  11  60.772   5.297   6.550
   91    H    SER  12           HN       SER  12  59.051   4.316  10.535
   92    HA   SER  12           HA       SER  12  59.858   2.460  12.681
   93   1HB   SER  12           HB2      SER  12  57.409   3.174  13.367
   94   2HB   SER  12           HB1      SER  12  58.733   4.322  13.537
   95    HG   SER  12           HG       SER  12  57.954   5.458  11.928
   96    H    LYS  13           HN       LYS  13  59.091   1.901   9.701
   97    HA   LYS  13           HA       LYS  13  57.739   0.440   8.488
   98   1HB   LYS  13           HB2      LYS  13  58.367  -1.705   9.002
   99   2HB   LYS  13           HB1      LYS  13  59.496  -0.828  10.032
  100   1HG   LYS  13           HG2      LYS  13  57.706  -0.994  11.871
  101   2HG   LYS  13           HG1      LYS  13  56.896  -2.161  10.829
  102   1HD   LYS  13           HD2      LYS  13  58.526  -3.759  11.120
  103   2HD   LYS  13           HD1      LYS  13  59.809  -2.564  11.317
  104   1HE   LYS  13           HE2      LYS  13  57.978  -2.217  13.485
  105   2HE   LYS  13           HE1      LYS  13  58.377  -3.943  13.375
  106   1HZ   LYS  13           HZ1      LYS  13  60.506  -1.948  13.019
  107   2HZ   LYS  13           HZ3      LYS  13  59.993  -2.319  14.592
  108   3HZ   LYS  13           HZ2      LYS  13  60.613  -3.544  13.590
  109    H    THR  14           HN       THR  14  56.421   2.155  10.520
  110    HA   THR  14           HA       THR  14  53.778   0.824  10.438
  111    HB   THR  14           HB       THR  14  53.473   1.562  12.846
  112    HG1  THR  14           HG1      THR  14  55.583   1.867  13.911
  113   1HG2  THR  14          HG23      THR  14  54.052  -0.776  12.257
  114   2HG2  THR  14          HG22      THR  14  55.763  -0.361  12.349
  115   3HG2  THR  14          HG21      THR  14  54.760  -0.296  13.798
  116    H    ALA  15           HN       ALA  15  55.602   3.280   9.472
  117    HA   ALA  15           HA       ALA  15  53.945   5.589  10.215
  118   1HB   ALA  15           HB1      ALA  15  56.601   5.127   9.596
  119   2HB   ALA  15           HB3      ALA  15  55.984   5.800   8.088
  120   3HB   ALA  15           HB2      ALA  15  55.837   6.716   9.587
  121    H    GLU  16           HN       GLU  16  54.434   6.812   7.611
  122    HA   GLU  16           HA       GLU  16  52.866   5.209   5.690
  123   1HB   GLU  16           HB2      GLU  16  51.972   7.815   6.968
  124   2HB   GLU  16           HB1      GLU  16  51.221   7.138   5.518
  125   1HG   GLU  16           HG2      GLU  16  51.412   5.779   8.224
  126   2HG   GLU  16           HG1      GLU  16  49.953   6.462   7.503
  127    H    GLU  17           HN       GLU  17  52.434   8.267   4.736
  128    HA   GLU  17           HA       GLU  17  54.826   8.247   3.009
  129   1HB   GLU  17           HB2      GLU  17  52.681   8.599   1.978
  130   2HB   GLU  17           HB1      GLU  17  52.260   9.852   3.148
  131   1HG   GLU  17           HG2      GLU  17  54.092  11.267   2.292
  132   2HG   GLU  17           HG1      GLU  17  54.505  10.018   1.115
  133    H    ARG  18           HN       ARG  18  53.934   9.601   5.995
  134    HA   ARG  18           HA       ARG  18  55.236  12.186   5.654
  135   1HB   ARG  18           HB2      ARG  18  54.171  12.618   7.616
  136   2HB   ARG  18           HB1      ARG  18  53.373  11.075   7.345
  137   1HG   ARG  18           HG2      ARG  18  56.003  11.265   8.830
  138   2HG   ARG  18           HG1      ARG  18  54.454  11.441   9.648
  139   1HD   ARG  18           HD2      ARG  18  54.369   9.127   7.912
  140   2HD   ARG  18           HD1      ARG  18  55.748   9.016   9.021
  141    HE   ARG  18           HE       ARG  18  54.131   8.601  10.683
  142   1HH1  ARG  18          HH21      ARG  18  52.253   9.463   8.129
  143   2HH1  ARG  18          HH22      ARG  18  51.076  10.362   9.028
  144   1HH2  ARG  18          HH11      ARG  18  52.924  10.360  11.961
  145   2HH2  ARG  18          HH12      ARG  18  51.454  10.868  11.198
  146    H    GLU  19           HN       GLU  19  56.276   9.009   6.886
  147    HA   GLU  19           HA       GLU  19  58.882  10.222   7.669
  148   1HB   GLU  19           HB2      GLU  19  57.284   8.084   8.620
  149   2HB   GLU  19           HB1      GLU  19  58.755   7.364   7.962
  150   1HG   GLU  19           HG2      GLU  19  60.130   8.445   9.452
  151   2HG   GLU  19           HG1      GLU  19  59.046   9.828   9.609
  152    H    ILE  20           HN       ILE  20  57.498   7.783   5.510
  153    HA   ILE  20           HA       ILE  20  59.905   6.912   4.343
  154    HB   ILE  20           HB       ILE  20  57.059   6.766   3.931
  155   1HG1  ILE  20          HG12      ILE  20  57.595   4.589   3.154
  156   2HG1  ILE  20          HG11      ILE  20  59.213   5.078   2.663
  157   1HG2  ILE  20          HG21      ILE  20  58.717   7.197   1.430
  158   2HG2  ILE  20          HG23      ILE  20  57.146   6.394   1.425
  159   3HG2  ILE  20          HG22      ILE  20  57.272   8.081   1.922
  160   1HD1  ILE  20          HD11      ILE  20  58.600   5.538   5.515
  161   2HD1  ILE  20          HD13      ILE  20  58.648   3.841   5.035
  162   3HD1  ILE  20          HD12      ILE  20  60.052   4.873   4.765
  163    H    ARG  21           HN       ARG  21  58.313   9.985   4.168
  164    HA   ARG  21           HA       ARG  21  59.646  10.745   1.663
  165   1HB   ARG  21           HB2      ARG  21  58.252  12.654   1.774
  166   2HB   ARG  21           HB1      ARG  21  57.282  11.402   2.546
  167   1HG   ARG  21           HG2      ARG  21  58.267  12.174   4.763
  168   2HG   ARG  21           HG1      ARG  21  58.914  13.564   3.893
  169   1HD   ARG  21           HD2      ARG  21  55.985  12.870   3.666
  170   2HD   ARG  21           HD1      ARG  21  56.585  13.835   5.029
  171    HE   ARG  21           HE       ARG  21  57.675  15.298   3.191
  172   1HH1  ARG  21          HH11      ARG  21  54.455  14.592   3.551
  173   2HH1  ARG  21          HH12      ARG  21  53.967  15.091   1.967
  174   1HH2  ARG  21          HH21      ARG  21  57.207  15.450   0.789
  175   2HH2  ARG  21          HH22      ARG  21  55.523  15.576   0.403
  176    H    LYS  22           HN       LYS  22  60.234  10.972   5.047
  177    HA   LYS  22           HA       LYS  22  62.438  12.902   4.579
  178   1HB   LYS  22           HB2      LYS  22  62.330  13.072   7.101
  179   2HB   LYS  22           HB1      LYS  22  60.857  13.595   6.281
  180   1HG   LYS  22           HG2      LYS  22  59.658  11.779   6.962
  181   2HG   LYS  22           HG1      LYS  22  61.068  10.721   6.963
  182   1HD   LYS  22           HD2      LYS  22  60.418  12.843   9.031
  183   2HD   LYS  22           HD1      LYS  22  60.357  11.096   9.271
  184   1HE   LYS  22           HE2      LYS  22  62.868  11.155   8.513
  185   2HE   LYS  22           HE1      LYS  22  62.769  12.870   8.958
  186   1HZ   LYS  22           HZ3      LYS  22  61.494  11.084  10.832
  187   2HZ   LYS  22           HZ2      LYS  22  63.173  10.859  10.712
  188   3HZ   LYS  22           HZ1      LYS  22  62.545  12.383  11.120
  189    H    ALA  23           HN       ALA  23  61.509   9.683   5.441
  190    HA   ALA  23           HA       ALA  23  64.161   8.902   6.474
  191   1HB   ALA  23           HB3      ALA  23  61.847   7.958   7.092
  192   2HB   ALA  23           HB2      ALA  23  61.882   7.141   5.528
  193   3HB   ALA  23           HB1      ALA  23  63.102   6.768   6.746
  194    H    TYR  24           HN       TYR  24  62.240   8.465   3.501
  195    HA   TYR  24           HA       TYR  24  64.042   6.819   2.054
  196   1HB   TYR  24           HB2      TYR  24  61.812   7.223   1.260
  197   2HB   TYR  24           HB1      TYR  24  62.054   8.969   1.291
  198    HD1  TYR  24           HD2      TYR  24  64.829   6.935   0.115
  199    HD2  TYR  24           HD1      TYR  24  61.277   9.021  -1.098
  200    HE1  TYR  24           HE2      TYR  24  65.611   6.901  -2.238
  201    HE2  TYR  24           HE1      TYR  24  62.060   8.986  -3.449
  202    HH   TYR  24           HH       TYR  24  65.179   8.352  -4.336
  203    H    LYS  25           HN       LYS  25  63.815  10.379   2.276
  204    HA   LYS  25           HA       LYS  25  66.202  10.748   0.609
  205   1HB   LYS  25           HB2      LYS  25  64.016  12.310   1.770
  206   2HB   LYS  25           HB1      LYS  25  65.563  13.153   1.844
  207   1HG   LYS  25           HG2      LYS  25  65.230  11.835  -0.720
  208   2HG   LYS  25           HG1      LYS  25  63.885  12.928  -0.398
  209   1HD   LYS  25           HD2      LYS  25  65.197  14.684  -0.894
  210   2HD   LYS  25           HD1      LYS  25  66.282  14.240   0.425
  211   1HE   LYS  25           HE2      LYS  25  67.830  13.879  -1.213
  212   2HE   LYS  25           HE1      LYS  25  66.919  12.397  -1.563
  213   1HZ   LYS  25           HZ1      LYS  25  65.896  14.933  -2.614
  214   2HZ   LYS  25           HZ3      LYS  25  67.240  14.245  -3.389
  215   3HZ   LYS  25           HZ2      LYS  25  65.789  13.369  -3.270
  216    H    ARG  26           HN       ARG  26  65.404  10.820   4.094
  217    HA   ARG  26           HA       ARG  26  68.019  11.934   4.816
  218   1HB   ARG  26           HB2      ARG  26  65.982  12.224   6.173
  219   2HB   ARG  26           HB1      ARG  26  65.912  10.480   6.439
  220   1HG   ARG  26           HG2      ARG  26  66.992  11.263   8.374
  221   2HG   ARG  26           HG1      ARG  26  68.332  10.747   7.349
  222   1HD   ARG  26           HD2      ARG  26  68.805  12.977   8.301
  223   2HD   ARG  26           HD1      ARG  26  68.575  13.111   6.545
  224    HE   ARG  26           HE       ARG  26  66.168  13.449   8.244
  225   1HH1  ARG  26          HH21      ARG  26  67.255  14.287   5.305
  226   2HH1  ARG  26          HH22      ARG  26  67.058  16.001   5.467
  227   1HH2  ARG  26          HH11      ARG  26  66.512  15.887   8.887
  228   2HH2  ARG  26          HH12      ARG  26  66.641  16.905   7.492
  229    H    LEU  27           HN       LEU  27  66.714   8.648   4.486
  230    HA   LEU  27           HA       LEU  27  69.209   7.541   5.670
  231   1HB   LEU  27           HB2      LEU  27  66.454   6.793   5.463
  232   2HB   LEU  27           HB1      LEU  27  67.434   5.539   4.701
  233    HG   LEU  27           HG       LEU  27  67.222   5.037   7.077
  234   1HD1  LEU  27          HD12      LEU  27  69.573   5.126   5.699
  235   2HD1  LEU  27          HD11      LEU  27  69.971   6.139   7.086
  236   3HD1  LEU  27          HD13      LEU  27  69.423   4.482   7.333
  237   1HD2  LEU  27          HD23      LEU  27  68.390   7.810   7.486
  238   2HD2  LEU  27          HD22      LEU  27  66.731   7.330   7.848
  239   3HD2  LEU  27          HD21      LEU  27  68.069   6.639   8.766
  240    H    ALA  28           HN       ALA  28  67.617   7.918   2.542
  241    HA   ALA  28           HA       ALA  28  69.285   5.984   1.154
  242   1HB   ALA  28           HB1      ALA  28  67.055   6.819   0.409
  243   2HB   ALA  28           HB3      ALA  28  67.779   8.403   0.133
  244   3HB   ALA  28           HB2      ALA  28  68.305   7.015  -0.821
  245    H    MET  29           HN       MET  29  69.570   9.323   2.126
  246    HA   MET  29           HA       MET  29  71.498  10.377   0.392
  247   1HB   MET  29           HB2      MET  29  70.453  11.444   2.374
  248   2HB   MET  29           HB1      MET  29  71.425  10.405   3.414
  249   1HG   MET  29           HG2      MET  29  72.881  12.167   3.376
  250   2HG   MET  29           HG1      MET  29  73.370  11.448   1.842
  251   1HE   MET  29           HE3      MET  29  74.274  13.137   0.724
  252   2HE   MET  29           HE2      MET  29  73.589  14.678   0.214
  253   3HE   MET  29           HE1      MET  29  74.139  14.473   1.875
  254    H    LYS  30           HN       LYS  30  71.920   8.332   3.224
  255    HA   LYS  30           HA       LYS  30  74.685   7.922   3.311
  256   1HB   LYS  30           HB2      LYS  30  72.175   6.670   4.126
  257   2HB   LYS  30           HB1      LYS  30  73.440   5.473   3.827
  258   1HG   LYS  30           HG2      LYS  30  74.521   6.032   5.718
  259   2HG   LYS  30           HG1      LYS  30  74.527   7.735   5.264
  260   1HD   LYS  30           HD2      LYS  30  71.859   6.940   6.029
  261   2HD   LYS  30           HD1      LYS  30  73.000   6.523   7.308
  262   1HE   LYS  30           HE2      LYS  30  73.688   9.126   6.306
  263   2HE   LYS  30           HE1      LYS  30  71.959   9.104   6.706
  264   1HZ   LYS  30           HZ2      LYS  30  72.525   8.023   8.817
  265   2HZ   LYS  30           HZ1      LYS  30  74.178   8.165   8.448
  266   3HZ   LYS  30           HZ3      LYS  30  73.241   9.558   8.688
  267    H    TYR  31           HN       TYR  31  72.338   6.895   0.996
  268    HA   TYR  31           HA       TYR  31  74.326   5.033  -0.269
  269   1HB   TYR  31           HB2      TYR  31  71.331   5.167  -0.697
  270   2HB   TYR  31           HB1      TYR  31  72.420   3.830  -1.085
  271    HD1  TYR  31           HD1      TYR  31  74.093   4.103   1.512
  272    HD2  TYR  31           HD2      TYR  31  69.869   3.887   0.763
  273    HE1  TYR  31           HE1      TYR  31  73.741   3.150   3.773
  274    HE2  TYR  31           HE2      TYR  31  69.517   2.933   3.026
  275    HH   TYR  31           HH       TYR  31  71.440   1.491   4.730
  276    H    HIS  32           HN       HIS  32  72.023   7.665  -0.910
  277    HA   HIS  32           HA       HIS  32  71.758   8.078  -3.529
  278   1HB   HIS  32           HB2      HIS  32  72.207   9.713  -1.230
  279   2HB   HIS  32           HB1      HIS  32  73.056  10.450  -2.594
  280    HD1  HIS  32           HD1      HIS  32  71.446  10.464  -4.907
  281    HD2  HIS  32           HD2      HIS  32  69.544  10.415  -1.197
  282    HE1  HIS  32           HE1      HIS  32  69.071  11.248  -5.309
  283    HA   PRO  33           HA       PRO  33  76.081   7.133  -4.773
  284   1HB   PRO  33           HB2      PRO  33  75.313   6.237  -7.252
  285   2HB   PRO  33           HB1      PRO  33  75.313   5.211  -5.801
  286   1HG   PRO  33           HG2      PRO  33  73.047   6.710  -7.049
  287   2HG   PRO  33           HG1      PRO  33  73.101   5.032  -6.473
  288   1HD   PRO  33           HD2      PRO  33  72.013   6.932  -4.972
  289   2HD   PRO  33           HD1      PRO  33  73.013   5.660  -4.234
  290    H    ASP  34           HN       ASP  34  73.511   9.030  -6.289
  291    HA   ASP  34           HA       ASP  34  74.691  10.267  -8.460
  292   1HB   ASP  34           HB2      ASP  34  72.473  10.804  -7.522
  293   2HB   ASP  34           HB1      ASP  34  73.238  11.566  -6.127
  294    H    ARG  35           HN       ARG  35  75.341  10.886  -5.041
  295    HA   ARG  35           HA       ARG  35  77.690  12.581  -5.723
  296   1HB   ARG  35           HB2      ARG  35  77.306  13.485  -3.558
  297   2HB   ARG  35           HB1      ARG  35  75.688  13.236  -4.193
  298   1HG   ARG  35           HG2      ARG  35  75.513  11.109  -2.978
  299   2HG   ARG  35           HG1      ARG  35  77.168  11.280  -2.393
  300   1HD   ARG  35           HD2      ARG  35  74.868  13.176  -1.767
  301   2HD   ARG  35           HD1      ARG  35  75.605  12.017  -0.642
  302    HE   ARG  35           HE       ARG  35  76.812  14.536  -1.535
  303   1HH1  ARG  35          HH11      ARG  35  79.227  13.750  -1.962
  304   2HH1  ARG  35          HH12      ARG  35  79.916  13.056  -0.531
  305   1HH2  ARG  35          HH21      ARG  35  76.857  12.609   1.043
  306   2HH2  ARG  35          HH22      ARG  35  78.573  12.412   1.172
  307    H    ASN  36           HN       ASN  36  76.546   9.666  -4.170
  308    HA   ASN  36           HA       ASN  36  79.158   8.994  -2.979
  309   1HB   ASN  36           HB2      ASN  36  76.334   7.941  -2.977
  310   2HB   ASN  36           HB1      ASN  36  77.651   6.945  -2.365
  311   1HD2  ASN  36          HD22      ASN  36  78.195   8.884   0.550
  312   2HD2  ASN  36          HD21      ASN  36  78.831   7.680  -0.465
  313    H    GLN  37           HN       GLN  37  80.287   8.721  -5.161
  314    HA   GLN  37           HA       GLN  37  79.520   6.111  -6.416
  315   1HB   GLN  37           HB2      GLN  37  80.855   8.602  -7.467
  316   2HB   GLN  37           HB1      GLN  37  80.967   7.066  -8.326
  317   1HG   GLN  37           HG2      GLN  37  78.691   7.000  -8.796
  318   2HG   GLN  37           HG1      GLN  37  78.277   8.046  -7.439
  319   1HE2  GLN  37          HE22      GLN  37  78.578  11.024  -9.318
  320   2HE2  GLN  37          HE21      GLN  37  78.210  10.318  -7.818
  321    H    GLY  38           HN       GLY  38  81.596   7.335  -4.186
  322   1HA   GLY  38           HA2      GLY  38  84.151   6.330  -5.028
  323   2HA   GLY  38           HA1      GLY  38  83.666   6.582  -3.345
  324    H    ASP  39           HN       ASP  39  81.225   4.858  -4.066
  325    HA   ASP  39           HA       ASP  39  82.547   2.176  -3.963
  326   1HB   ASP  39           HB2      ASP  39  81.448   3.453  -1.836
  327   2HB   ASP  39           HB1      ASP  39  80.003   2.681  -2.488
  328    H    LYS  40           HN       LYS  40  79.577   4.032  -4.599
  329    HA   LYS  40           HA       LYS  40  77.918   3.780  -6.244
  330   1HB   LYS  40           HB2      LYS  40  79.844   1.797  -7.320
  331   2HB   LYS  40           HB1      LYS  40  78.669   2.706  -8.250
  332   1HG   LYS  40           HG2      LYS  40  79.828   4.778  -7.665
  333   2HG   LYS  40           HG1      LYS  40  80.970   3.874  -6.671
  334   1HD   LYS  40           HD2      LYS  40  81.006   2.612  -9.190
  335   2HD   LYS  40           HD1      LYS  40  81.030   4.343  -9.530
  336   1HE   LYS  40           HE2      LYS  40  83.068   4.667  -8.449
  337   2HE   LYS  40           HE1      LYS  40  82.830   3.275  -7.373
  338   1HZ   LYS  40           HZ3      LYS  40  82.845   1.911  -9.508
  339   2HZ   LYS  40           HZ2      LYS  40  83.534   3.278 -10.247
  340   3HZ   LYS  40           HZ1      LYS  40  84.337   2.507  -8.964
  341    H    GLU  41           HN       GLU  41  78.775   1.409  -4.121
  342    HA   GLU  41           HA       GLU  41  77.167  -0.824  -5.052
  343   1HB   GLU  41           HB2      GLU  41  79.108  -0.438  -3.190
  344   2HB   GLU  41           HB1      GLU  41  77.682  -0.391  -2.153
  345   1HG   GLU  41           HG2      GLU  41  77.959  -2.580  -4.192
  346   2HG   GLU  41           HG1      GLU  41  78.826  -2.697  -2.662
  347    H    ALA  42           HN       ALA  42  76.362   2.232  -3.866
  348    HA   ALA  42           HA       ALA  42  73.948   1.493  -2.381
  349   1HB   ALA  42           HB2      ALA  42  75.314   3.970  -3.392
  350   2HB   ALA  42           HB1      ALA  42  73.617   4.085  -2.927
  351   3HB   ALA  42           HB3      ALA  42  74.820   3.567  -1.748
  352    H    GLU  43           HN       GLU  43  74.916   1.899  -5.650
  353    HA   GLU  43           HA       GLU  43  72.752   2.774  -7.101
  354   1HB   GLU  43           HB2      GLU  43  74.718   2.078  -8.204
  355   2HB   GLU  43           HB1      GLU  43  74.707   0.501  -7.416
  356   1HG   GLU  43           HG2      GLU  43  73.027  -0.335  -8.809
  357   2HG   GLU  43           HG1      GLU  43  72.427   1.274  -9.217
  358    H    ALA  44           HN       ALA  44  73.091  -0.486  -5.628
  359    HA   ALA  44           HA       ALA  44  70.428  -1.317  -6.536
  360   1HB   ALA  44           HB3      ALA  44  72.564  -2.731  -6.069
  361   2HB   ALA  44           HB2      ALA  44  72.135  -2.563  -4.366
  362   3HB   ALA  44           HB1      ALA  44  71.027  -3.367  -5.480
  363    H    LYS  45           HN       LYS  45  71.960  -0.401  -3.420
  364    HA   LYS  45           HA       LYS  45  69.866  -0.669  -1.644
  365   1HB   LYS  45           HB2      LYS  45  72.256   0.860  -1.899
  366   2HB   LYS  45           HB1      LYS  45  70.997   1.948  -1.301
  367   1HG   LYS  45           HG2      LYS  45  71.319   1.042   0.732
  368   2HG   LYS  45           HG1      LYS  45  70.606  -0.444   0.098
  369   1HD   LYS  45           HD2      LYS  45  73.343  -0.187  -0.785
  370   2HD   LYS  45           HD1      LYS  45  73.255  -0.084   0.974
  371   1HE   LYS  45           HE2      LYS  45  72.333  -2.231   1.186
  372   2HE   LYS  45           HE1      LYS  45  71.709  -2.227  -0.476
  373   1HZ   LYS  45           HZ1      LYS  45  74.131  -2.013  -1.159
  374   2HZ   LYS  45           HZ3      LYS  45  74.518  -2.480   0.426
  375   3HZ   LYS  45           HZ2      LYS  45  73.636  -3.531  -0.577
  376    H    PHE  46           HN       PHE  46  70.211   1.869  -4.134
  377    HA   PHE  46           HA       PHE  46  68.037   3.529  -3.444
  378   1HB   PHE  46           HB2      PHE  46  69.681   2.886  -5.744
  379   2HB   PHE  46           HB1      PHE  46  68.015   3.155  -6.253
  380    HD1  PHE  46           HD2      PHE  46  69.700   4.711  -3.321
  381    HD2  PHE  46           HD1      PHE  46  68.217   5.284  -7.312
  382    HE1  PHE  46           HE2      PHE  46  70.026   7.159  -3.091
  383    HE2  PHE  46           HE1      PHE  46  68.543   7.730  -7.082
  384    HZ   PHE  46           HZ       PHE  46  69.447   8.669  -4.972
  385    H    LYS  47           HN       LYS  47  68.085   0.339  -4.950
  386    HA   LYS  47           HA       LYS  47  65.258   0.262  -5.471
  387   1HB   LYS  47           HB2      LYS  47  65.820  -1.827  -6.383
  388   2HB   LYS  47           HB1      LYS  47  67.415  -1.092  -6.397
  389   1HG   LYS  47           HG2      LYS  47  68.146  -2.343  -4.559
  390   2HG   LYS  47           HG1      LYS  47  66.511  -2.658  -3.993
  391   1HD   LYS  47           HD2      LYS  47  66.730  -4.652  -5.024
  392   2HD   LYS  47           HD1      LYS  47  66.471  -3.742  -6.513
  393   1HE   LYS  47           HE2      LYS  47  68.520  -4.506  -7.147
  394   2HE   LYS  47           HE1      LYS  47  69.179  -3.349  -5.974
  395   1HZ   LYS  47           HZ2      LYS  47  68.217  -6.047  -5.206
  396   2HZ   LYS  47           HZ1      LYS  47  69.837  -5.739  -5.613
  397   3HZ   LYS  47           HZ3      LYS  47  69.138  -4.966  -4.274
  398    H    GLU  48           HN       GLU  48  67.554  -0.997  -3.039
  399    HA   GLU  48           HA       GLU  48  65.668  -2.070  -1.239
  400   1HB   GLU  48           HB2      GLU  48  68.217  -0.507  -0.664
  401   2HB   GLU  48           HB1      GLU  48  67.435  -1.628   0.453
  402   1HG   GLU  48           HG2      GLU  48  67.674  -3.343  -1.515
  403   2HG   GLU  48           HG1      GLU  48  68.910  -2.226  -2.098
  404    H    ILE  49           HN       ILE  49  66.298   1.176  -2.252
  405    HA   ILE  49           HA       ILE  49  64.791   2.303   0.021
  406    HB   ILE  49           HB       ILE  49  66.014   3.561  -2.461
  407   1HG1  ILE  49          HG12      ILE  49  67.954   2.998  -1.387
  408   2HG1  ILE  49          HG11      ILE  49  67.559   4.401  -0.398
  409   1HG2  ILE  49          HG21      ILE  49  64.794   4.641   0.068
  410   2HG2  ILE  49          HG23      ILE  49  65.867   5.605  -0.945
  411   3HG2  ILE  49          HG22      ILE  49  64.345   4.998  -1.600
  412   1HD1  ILE  49          HD12      ILE  49  66.236   2.777   1.077
  413   2HD1  ILE  49          HD11      ILE  49  67.076   1.490   0.212
  414   3HD1  ILE  49          HD13      ILE  49  67.994   2.665   1.151
  415    H    LYS  50           HN       LYS  50  64.539   3.220  -3.399
  416    HA   LYS  50           HA       LYS  50  61.700   3.559  -3.183
  417   1HB   LYS  50           HB2      LYS  50  63.730   4.395  -4.830
  418   2HB   LYS  50           HB1      LYS  50  62.891   3.243  -5.871
  419   1HG   LYS  50           HG2      LYS  50  60.808   4.638  -4.697
  420   2HG   LYS  50           HG1      LYS  50  62.028   5.889  -4.944
  421   1HD   LYS  50           HD2      LYS  50  62.050   5.600  -7.261
  422   2HD   LYS  50           HD1      LYS  50  61.426   3.953  -7.162
  423   1HE   LYS  50           HE2      LYS  50  59.769   5.753  -7.978
  424   2HE   LYS  50           HE1      LYS  50  59.208   4.732  -6.638
  425   1HZ   LYS  50           HZ2      LYS  50  60.672   7.272  -6.205
  426   2HZ   LYS  50           HZ1      LYS  50  58.977   7.209  -6.299
  427   3HZ   LYS  50           HZ3      LYS  50  59.789   6.367  -5.070
  428    H    GLU  51           HN       GLU  51  63.607   0.684  -3.826
  429    HA   GLU  51           HA       GLU  51  61.389  -0.597  -5.315
  430   1HB   GLU  51           HB2      GLU  51  63.947  -0.902  -5.656
  431   2HB   GLU  51           HB1      GLU  51  63.893  -1.877  -4.192
  432   1HG   GLU  51           HG2      GLU  51  63.684  -3.188  -6.285
  433   2HG   GLU  51           HG1      GLU  51  62.343  -3.394  -5.160
  434    H    ALA  52           HN       ALA  52  62.919  -0.503  -2.174
  435    HA   ALA  52           HA       ALA  52  61.143  -2.554  -1.011
  436   1HB   ALA  52           HB2      ALA  52  63.718  -1.561  -0.617
  437   2HB   ALA  52           HB1      ALA  52  62.813  -0.937   0.765
  438   3HB   ALA  52           HB3      ALA  52  62.871  -2.672   0.450
  439    H    TYR  53           HN       TYR  53  61.921   0.888  -0.387
  440    HA   TYR  53           HA       TYR  53  59.691   1.293   1.386
  441   1HB   TYR  53           HB2      TYR  53  60.970   3.077   1.835
  442   2HB   TYR  53           HB1      TYR  53  62.057   2.574   0.562
  443    HD1  TYR  53           HD2      TYR  53  58.732   4.337   0.852
  444    HD2  TYR  53           HD1      TYR  53  62.614   4.190  -0.951
  445    HE1  TYR  53           HE2      TYR  53  58.250   6.424  -0.384
  446    HE2  TYR  53           HE1      TYR  53  62.149   6.269  -2.179
  447    HH   TYR  53           HH       TYR  53  58.957   7.846  -1.957
  448    H    GLU  54           HN       GLU  54  59.756   0.904  -1.964
  449    HA   GLU  54           HA       GLU  54  57.810   2.824  -2.837
  450   1HB   GLU  54           HB2      GLU  54  58.704   1.784  -4.660
  451   2HB   GLU  54           HB1      GLU  54  59.079   0.322  -3.753
  452   1HG   GLU  54           HG2      GLU  54  57.030  -0.654  -4.228
  453   2HG   GLU  54           HG1      GLU  54  56.209   0.899  -4.387
  454    H    VAL  55           HN       VAL  55  57.528  -0.296  -1.184
  455    HA   VAL  55           HA       VAL  55  54.575  -0.134  -1.405
  456    HB   VAL  55           HB       VAL  55  54.708  -2.366  -1.514
  457   1HG1  VAL  55          HG11      VAL  55  56.881  -2.035  -2.562
  458   2HG1  VAL  55          HG13      VAL  55  57.656  -2.117  -0.979
  459   3HG1  VAL  55          HG12      VAL  55  56.837  -3.530  -1.632
  460   1HG2  VAL  55          HG21      VAL  55  56.095  -2.173   1.163
  461   2HG2  VAL  55          HG23      VAL  55  54.415  -2.613   0.847
  462   3HG2  VAL  55          HG22      VAL  55  55.716  -3.717   0.402
  463    H    LEU  56           HN       LEU  56  56.567   1.413   0.431
  464    HA   LEU  56           HA       LEU  56  55.457   0.729   3.081
  465   1HB   LEU  56           HB2      LEU  56  57.592   2.422   1.879
  466   2HB   LEU  56           HB1      LEU  56  56.982   2.898   3.468
  467    HG   LEU  56           HG       LEU  56  57.433   0.624   4.319
  468   1HD1  LEU  56          HD13      LEU  56  57.980   0.176   1.440
  469   2HD1  LEU  56          HD12      LEU  56  59.093  -0.606   2.563
  470   3HD1  LEU  56          HD11      LEU  56  57.364  -0.942   2.658
  471   1HD2  LEU  56          HD23      LEU  56  59.661   2.181   3.011
  472   2HD2  LEU  56          HD22      LEU  56  59.229   2.107   4.716
  473   3HD2  LEU  56          HD21      LEU  56  60.003   0.724   3.944
  474    H    THR  57           HN       THR  57  54.507   2.497   0.417
  475    HA   THR  57           HA       THR  57  53.099   4.609   1.996
  476    HB   THR  57           HB       THR  57  53.636   5.905   0.204
  477    HG1  THR  57           HG1      THR  57  51.966   5.690  -1.027
  478   1HG2  THR  57          HG23      THR  57  55.545   4.253  -0.083
  479   2HG2  THR  57          HG22      THR  57  54.566   3.453  -1.312
  480   3HG2  THR  57          HG21      THR  57  55.084   5.123  -1.547
  481    H    ASP  58           HN       ASP  58  52.708   1.655   0.289
  482    HA   ASP  58           HA       ASP  58  49.803   1.965  -0.133
  483   1HB   ASP  58           HB2      ASP  58  51.632   0.819  -1.608
  484   2HB   ASP  58           HB1      ASP  58  51.476  -0.533  -0.482
  485    H    SER  59           HN       SER  59  49.331  -0.914   0.494
  486    HA   SER  59           HA       SER  59  49.747  -1.018   3.440
  487   1HB   SER  59           HB2      SER  59  47.112  -0.915   1.956
  488   2HB   SER  59           HB1      SER  59  47.239  -1.497   3.613
  489    HG   SER  59           HG       SER  59  46.833   0.662   3.749
  490    H    GLN  60           HN       GLN  60  48.246  -2.606   0.620
  491    HA   GLN  60           HA       GLN  60  48.394  -5.281   1.783
  492   1HB   GLN  60           HB2      GLN  60  47.571  -5.894  -0.444
  493   2HB   GLN  60           HB1      GLN  60  46.723  -4.447   0.120
  494   1HG   GLN  60           HG2      GLN  60  48.691  -3.173  -1.059
  495   2HG   GLN  60           HG1      GLN  60  48.887  -4.680  -1.953
  496   1HE2  GLN  60          HE22      GLN  60  45.610  -2.322  -2.608
  497   2HE2  GLN  60          HE21      GLN  60  46.638  -2.014  -1.294
  498    H    LYS  61           HN       LYS  61  50.381  -3.378  -0.477
  499    HA   LYS  61           HA       LYS  61  51.994  -5.361  -1.589
  500   1HB   LYS  61           HB2      LYS  61  53.009  -2.694  -0.587
  501   2HB   LYS  61           HB1      LYS  61  53.529  -3.593  -2.009
  502   1HG   LYS  61           HG2      LYS  61  51.194  -3.264  -2.946
  503   2HG   LYS  61           HG1      LYS  61  50.906  -2.138  -1.620
  504   1HD   LYS  61           HD2      LYS  61  51.823  -0.542  -2.929
  505   2HD   LYS  61           HD1      LYS  61  53.372  -1.335  -2.636
  506   1HE   LYS  61           HE2      LYS  61  52.353  -2.924  -4.623
  507   2HE   LYS  61           HE1      LYS  61  51.705  -1.336  -5.078
  508   1HZ   LYS  61           HZ1      LYS  61  54.022  -0.479  -4.550
  509   2HZ   LYS  61           HZ3      LYS  61  54.525  -2.098  -4.603
  510   3HZ   LYS  61           HZ2      LYS  61  53.848  -1.374  -5.984
  511    H    ARG  62           HN       ARG  62  52.280  -3.689   1.531
  512    HA   ARG  62           HA       ARG  62  54.686  -4.728   2.476
  513   1HB   ARG  62           HB2      ARG  62  52.028  -4.430   3.924
  514   2HB   ARG  62           HB1      ARG  62  53.619  -4.417   4.690
  515   1HG   ARG  62           HG2      ARG  62  53.929  -2.240   4.173
  516   2HG   ARG  62           HG1      ARG  62  53.502  -2.527   2.485
  517   1HD   ARG  62           HD2      ARG  62  51.392  -1.746   2.783
  518   2HD   ARG  62           HD1      ARG  62  51.190  -2.640   4.303
  519    HE   ARG  62           HE       ARG  62  52.824  -0.136   4.184
  520   1HH1  ARG  62          HH21      ARG  62  52.101  -2.225   6.500
  521   2HH1  ARG  62          HH22      ARG  62  51.086  -1.199   7.457
  522   1HH2  ARG  62          HH11      ARG  62  50.771   1.228   5.000
  523   2HH2  ARG  62          HH12      ARG  62  50.333   0.757   6.609
  524    H    ALA  63           HN       ALA  63  51.661  -6.321   1.864
  525    HA   ALA  63           HA       ALA  63  52.599  -8.862   3.112
  526   1HB   ALA  63           HB2      ALA  63  50.115  -7.498   2.792
  527   2HB   ALA  63           HB1      ALA  63  50.021  -8.956   1.802
  528   3HB   ALA  63           HB3      ALA  63  50.374  -9.080   3.525
  529    H    ALA  64           HN       ALA  64  51.942  -7.221   0.107
  530    HA   ALA  64           HA       ALA  64  52.126  -9.567  -1.632
  531   1HB   ALA  64           HB2      ALA  64  51.068  -7.069  -1.808
  532   2HB   ALA  64           HB1      ALA  64  52.613  -6.798  -2.612
  533   3HB   ALA  64           HB3      ALA  64  51.501  -8.019  -3.230
  534    H    TYR  65           HN       TYR  65  54.141  -6.645  -1.184
  535    HA   TYR  65           HA       TYR  65  56.393  -7.728  -2.638
  536   1HB   TYR  65           HB2      TYR  65  55.523  -5.304  -1.625
  537   2HB   TYR  65           HB1      TYR  65  56.895  -5.682  -0.596
  538    HD1  TYR  65           HD1      TYR  65  55.993  -5.971  -4.230
  539    HD2  TYR  65           HD2      TYR  65  58.982  -4.954  -1.319
  540    HE1  TYR  65           HE1      TYR  65  57.559  -5.360  -6.055
  541    HE2  TYR  65           HE2      TYR  65  60.549  -4.339  -3.143
  542    HH   TYR  65           HH       TYR  65  60.329  -5.279  -6.147
  543    H    ASP  66           HN       ASP  66  55.204  -7.933   0.612
  544    HA   ASP  66           HA       ASP  66  57.469  -8.418   2.108
  545   1HB   ASP  66           HB2      ASP  66  55.773  -8.832   3.568
  546   2HB   ASP  66           HB1      ASP  66  54.652  -8.895   2.213
  547    H    GLN  67           HN       GLN  67  55.707 -10.676  -0.011
  548    HA   GLN  67           HA       GLN  67  57.852 -12.048  -1.139
  549   1HB   GLN  67           HB2      GLN  67  57.475 -12.615   1.701
  550   2HB   GLN  67           HB1      GLN  67  57.416 -14.084   0.724
  551   1HG   GLN  67           HG2      GLN  67  59.528 -12.641  -0.378
  552   2HG   GLN  67           HG1      GLN  67  59.698 -12.377   1.358
  553   1HE2  GLN  67          HE22      GLN  67  61.488 -15.494   1.093
  554   2HE2  GLN  67          HE21      GLN  67  61.703 -13.811   1.052
  555    H    TYR  68           HN       TYR  68  55.557 -11.636  -2.319
  556    HA   TYR  68           HA       TYR  68  53.658 -13.872  -1.902
  557   1HB   TYR  68           HB2      TYR  68  53.627 -11.191  -2.887
  558   2HB   TYR  68           HB1      TYR  68  53.104 -12.248  -4.203
  559    HD1  TYR  68           HD1      TYR  68  52.618 -11.986  -0.480
  560    HD2  TYR  68           HD2      TYR  68  50.829 -12.680  -4.323
  561    HE1  TYR  68           HE1      TYR  68  50.398 -12.239   0.598
  562    HE2  TYR  68           HE2      TYR  68  48.610 -12.934  -3.245
  563    HH   TYR  68           HH       TYR  68  47.807 -11.867  -0.424
  564    H    GLY  69           HN       GLY  69  54.747 -12.532  -5.008
  565   1HA   GLY  69           HA2      GLY  69  55.792 -13.584  -6.841
  566   2HA   GLY  69           HA1      GLY  69  56.168 -14.948  -5.787
  567    H    HIS  70           HN       HIS  70  52.863 -13.886  -5.918
  568    HA   HIS  70           HA       HIS  70  52.194 -16.011  -7.908
  569   1HB   HIS  70           HB2      HIS  70  52.228 -16.732  -5.418
  570   2HB   HIS  70           HB1      HIS  70  50.751 -15.780  -5.276
  571    HD1  HIS  70           HD1      HIS  70  49.300 -16.405  -7.838
  572    HD2  HIS  70           HD2      HIS  70  51.324 -19.336  -5.672
  573    HE1  HIS  70           HE1      HIS  70  48.282 -18.624  -8.512
  574    H    ALA  71           HN       ALA  71  51.360 -14.470  -9.356
  575    HA   ALA  71           HA       ALA  71  49.829 -12.849 -10.187
  576   1HB   ALA  71           HB3      ALA  71  48.408 -14.757  -8.351
  577   2HB   ALA  71           HB2      ALA  71  47.496 -13.460  -9.125
  578   3HB   ALA  71           HB1      ALA  71  48.340 -14.656 -10.110
  579    H    ALA  72           HN       ALA  72  51.337 -12.169  -7.605
  580    HA   ALA  72           HA       ALA  72  49.890 -10.880  -5.635
  581   1HB   ALA  72           HB1      ALA  72  52.479 -10.549  -6.997
  582   2HB   ALA  72           HB3      ALA  72  51.904  -9.084  -6.202
  583   3HB   ALA  72           HB2      ALA  72  52.114 -10.566  -5.272
  584    H    PHE  73           HN       PHE  73  51.220  -8.810  -8.208
  585    HA   PHE  73           HA       PHE  73  48.627  -7.305  -8.200
  586   1HB   PHE  73           HB2      PHE  73  51.436  -6.611  -7.928
  587   2HB   PHE  73           HB1      PHE  73  50.685  -5.711  -9.246
  588    HD1  PHE  73           HD2      PHE  73  48.916  -6.988  -6.247
  589    HD2  PHE  73           HD1      PHE  73  50.572  -3.545  -8.212
  590    HE1  PHE  73           HE2      PHE  73  47.795  -5.511  -4.604
  591    HE2  PHE  73           HE1      PHE  73  49.451  -2.066  -6.566
  592    HZ   PHE  73           HZ       PHE  73  48.061  -3.050  -4.762
  593    H    GLU  74           HN       GLU  74  49.823  -9.616 -10.000
  594    HA   GLU  74           HA       GLU  74  49.502  -8.191 -12.618
  595   1HB   GLU  74           HB2      GLU  74  50.855  -9.992 -13.520
  596   2HB   GLU  74           HB1      GLU  74  51.652  -9.390 -12.066
  597   1HG   GLU  74           HG2      GLU  74  50.904 -11.237 -10.763
  598   2HG   GLU  74           HG1      GLU  74  49.738 -11.727 -11.991
  599    H    GLN  75           HN       GLN  75  47.682  -9.910 -10.489
  600    HA   GLN  75           HA       GLN  75  45.832 -11.387 -10.698
  601   1HB   GLN  75           HB2      GLN  75  45.634  -9.725 -13.231
  602   2HB   GLN  75           HB1      GLN  75  44.295 -10.519 -12.400
  603   1HG   GLN  75           HG2      GLN  75  46.052  -8.343 -11.228
  604   2HG   GLN  75           HG1      GLN  75  44.400  -8.126 -11.805
  605   1HE2  GLN  75          HE22      GLN  75  42.996  -9.213  -8.773
  606   2HE2  GLN  75          HE21      GLN  75  42.797  -8.383 -10.240
  607    H    GLY  76           HN       GLY  76  48.173 -12.684 -11.594
  608   1HA   GLY  76           HA2      GLY  76  48.693 -14.651 -12.780
  609   2HA   GLY  76           HA1      GLY  76  47.044 -14.648 -13.406
  610    H    GLY  77           HN       GLY  77  50.319 -13.894 -14.108
  611   1HA   GLY  77           HA2      GLY  77  49.565 -13.234 -16.880
  612   2HA   GLY  77           HA1      GLY  77  50.452 -11.982 -16.011
   
  No H/Q in entry =         612
  Start of MODEL   14
    1   1H    ALA   1           HT2      ALA   1  68.019 -16.266   5.437
    2   2H    ALA   1           HT1      ALA   1  68.161 -17.249   6.816
    3   3H    ALA   1           HT3      ALA   1  66.660 -17.084   6.044
    4    HA   ALA   1           HA       ALA   1  66.404 -15.653   7.831
    5   1HB   ALA   1           HB3      ALA   1  69.008 -16.111   8.141
    6   2HB   ALA   1           HB2      ALA   1  69.146 -14.504   7.430
    7   3HB   ALA   1           HB1      ALA   1  68.242 -14.731   8.928
    8    H    LYS   2           HN       LYS   2  68.756 -14.073   5.646
    9    HA   LYS   2           HA       LYS   2  68.531 -12.129   4.324
   10   1HB   LYS   2           HB2      LYS   2  66.869 -14.049   3.463
   11   2HB   LYS   2           HB1      LYS   2  65.663 -12.839   3.901
   12   1HG   LYS   2           HG2      LYS   2  66.125 -11.656   2.046
   13   2HG   LYS   2           HG1      LYS   2  67.824 -11.553   2.508
   14   1HD   LYS   2           HD2      LYS   2  68.135 -12.776   0.603
   15   2HD   LYS   2           HD1      LYS   2  67.723 -14.127   1.661
   16   1HE   LYS   2           HE2      LYS   2  65.512 -12.610   0.291
   17   2HE   LYS   2           HE1      LYS   2  66.411 -13.856  -0.600
   18   1HZ   LYS   2           HZ1      LYS   2  66.071 -15.277   1.455
   19   2HZ   LYS   2           HZ3      LYS   2  64.899 -14.147   1.930
   20   3HZ   LYS   2           HZ2      LYS   2  64.704 -15.016   0.483
   21    H    GLN   3           HN       GLN   3  67.052 -10.107   4.033
   22    HA   GLN   3           HA       GLN   3  65.618  -9.465   6.589
   23   1HB   GLN   3           HB2      GLN   3  67.747  -7.898   5.099
   24   2HB   GLN   3           HB1      GLN   3  66.790  -7.232   6.422
   25   1HG   GLN   3           HG2      GLN   3  68.756  -7.997   7.482
   26   2HG   GLN   3           HG1      GLN   3  67.591  -9.289   7.773
   27   1HE2  GLN   3          HE22      GLN   3  70.271 -10.041   4.739
   28   2HE2  GLN   3          HE21      GLN   3  69.534  -8.515   4.829
   29    H    ASP   4           HN       ASP   4  63.670  -8.577   6.219
   30    HA   ASP   4           HA       ASP   4  62.455  -8.281   3.702
   31   1HB   ASP   4           HB2      ASP   4  61.653  -8.266   6.220
   32   2HB   ASP   4           HB1      ASP   4  61.771  -6.516   6.030
   33    H    TYR   5           HN       TYR   5  61.421  -5.739   3.426
   34    HA   TYR   5           HA       TYR   5  63.870  -4.056   3.020
   35   1HB   TYR   5           HB2      TYR   5  61.746  -3.294   1.254
   36   2HB   TYR   5           HB1      TYR   5  63.320  -3.972   0.846
   37    HD1  TYR   5           HD1      TYR   5  63.476  -6.628   1.399
   38    HD2  TYR   5           HD2      TYR   5  59.892  -4.447   0.484
   39    HE1  TYR   5           HE1      TYR   5  62.391  -8.727   0.654
   40    HE2  TYR   5           HE2      TYR   5  58.804  -6.546  -0.260
   41    HH   TYR   5           HH       TYR   5  60.586  -9.638  -0.255
   42    H    TYR   6           HN       TYR   6  61.258  -4.255   4.969
   43    HA   TYR   6           HA       TYR   6  60.341  -1.462   4.809
   44   1HB   TYR   6           HB2      TYR   6  59.189  -3.762   5.566
   45   2HB   TYR   6           HB1      TYR   6  59.771  -3.209   7.138
   46    HD1  TYR   6           HD2      TYR   6  59.628  -0.181   6.069
   47    HD2  TYR   6           HD1      TYR   6  56.836  -3.434   6.383
   48    HE1  TYR   6           HE2      TYR   6  57.760   1.440   6.225
   49    HE2  TYR   6           HE1      TYR   6  54.969  -1.811   6.540
   50    HH   TYR   6           HH       TYR   6  54.672   0.742   5.680
   51    H    GLU   7           HN       GLU   7  62.557  -3.425   6.677
   52    HA   GLU   7           HA       GLU   7  63.098  -1.274   8.616
   53   1HB   GLU   7           HB2      GLU   7  63.943  -4.096   8.061
   54   2HB   GLU   7           HB1      GLU   7  65.003  -3.099   9.056
   55   1HG   GLU   7           HG2      GLU   7  62.262  -2.743   9.891
   56   2HG   GLU   7           HG1      GLU   7  62.667  -4.460   9.884
   57    H    ILE   8           HN       ILE   8  64.260  -2.491   5.578
   58    HA   ILE   8           HA       ILE   8  66.931  -1.668   5.458
   59    HB   ILE   8           HB       ILE   8  64.617  -1.964   3.587
   60   1HG1  ILE   8          HG12      ILE   8  66.005  -3.680   2.638
   61   2HG1  ILE   8          HG11      ILE   8  67.435  -3.065   3.466
   62   1HG2  ILE   8          HG21      ILE   8  65.788   0.094   2.796
   63   2HG2  ILE   8          HG23      ILE   8  67.284  -0.834   2.697
   64   3HG2  ILE   8          HG22      ILE   8  65.919  -1.249   1.660
   65   1HD1  ILE   8          HD11      ILE   8  64.985  -4.099   4.915
   66   2HD1  ILE   8          HD13      ILE   8  66.394  -5.095   4.553
   67   3HD1  ILE   8          HD12      ILE   8  66.552  -3.699   5.617
   68    H    LEU   9           HN       LEU   9  63.972   0.300   5.142
   69    HA   LEU   9           HA       LEU   9  65.548   2.733   4.574
   70   1HB   LEU   9           HB2      LEU   9  62.593   2.395   5.155
   71   2HB   LEU   9           HB1      LEU   9  63.360   3.715   4.275
   72    HG   LEU   9           HG       LEU   9  63.964   1.067   3.157
   73   1HD1  LEU   9          HD11      LEU   9  61.111   2.100   3.145
   74   2HD1  LEU   9          HD13      LEU   9  61.713   0.756   2.176
   75   3HD1  LEU   9          HD12      LEU   9  61.668   0.624   3.934
   76   1HD2  LEU   9          HD21      LEU   9  64.323   3.454   2.213
   77   2HD2  LEU   9          HD23      LEU   9  63.690   2.226   1.116
   78   3HD2  LEU   9          HD22      LEU   9  62.600   3.411   1.835
   79    H    GLY  10           HN       GLY  10  65.553   1.135   7.264
   80   1HA   GLY  10           HA2      GLY  10  65.690   1.677   9.544
   81   2HA   GLY  10           HA1      GLY  10  65.963   3.336   9.009
   82    H    VAL  11           HN       VAL  11  63.068   1.395   8.377
   83    HA   VAL  11           HA       VAL  11  61.472   3.484   9.804
   84    HB   VAL  11           HB       VAL  11  60.527   1.344   7.886
   85   1HG1  VAL  11          HG12      VAL  11  59.370   3.665   9.264
   86   2HG1  VAL  11          HG11      VAL  11  59.038   3.635   7.535
   87   3HG1  VAL  11          HG13      VAL  11  58.569   2.268   8.544
   88   1HG2  VAL  11          HG22      VAL  11  62.408   2.787   6.951
   89   2HG2  VAL  11          HG21      VAL  11  60.889   2.848   6.059
   90   3HG2  VAL  11          HG23      VAL  11  61.328   4.166   7.145
   91    H    SER  12           HN       SER  12  59.281   2.400  10.617
   92    HA   SER  12           HA       SER  12  60.069   0.210  12.432
   93   1HB   SER  12           HB2      SER  12  57.841   0.905  13.485
   94   2HB   SER  12           HB1      SER  12  59.117   2.119  13.499
   95    HG   SER  12           HG       SER  12  56.706   2.142  12.260
   96    H    LYS  13           HN       LYS  13  59.035   0.246   9.426
   97    HA   LYS  13           HA       LYS  13  57.518  -0.988   8.132
   98   1HB   LYS  13           HB2      LYS  13  58.231  -3.155   8.223
   99   2HB   LYS  13           HB1      LYS  13  59.344  -2.532   9.439
  100   1HG   LYS  13           HG2      LYS  13  57.327  -2.993  11.090
  101   2HG   LYS  13           HG1      LYS  13  56.803  -4.096   9.819
  102   1HD   LYS  13           HD2      LYS  13  59.121  -5.115   9.881
  103   2HD   LYS  13           HD1      LYS  13  59.432  -4.143  11.320
  104   1HE   LYS  13           HE2      LYS  13  57.934  -5.353  12.629
  105   2HE   LYS  13           HE1      LYS  13  56.950  -5.838  11.233
  106   1HZ   LYS  13           HZ2      LYS  13  59.745  -6.666  11.226
  107   2HZ   LYS  13           HZ1      LYS  13  58.732  -7.454  12.339
  108   3HZ   LYS  13           HZ3      LYS  13  58.366  -7.498  10.684
  109    H    THR  14           HN       THR  14  56.497   0.456  10.506
  110    HA   THR  14           HA       THR  14  53.786  -0.712  10.526
  111    HB   THR  14           HB       THR  14  53.826  -0.428  13.071
  112    HG1  THR  14           HG1      THR  14  55.589   0.729  13.483
  113   1HG2  THR  14          HG21      THR  14  54.192  -2.609  11.691
  114   2HG2  THR  14          HG23      THR  14  55.874  -2.449  12.194
  115   3HG2  THR  14          HG22      THR  14  54.604  -2.615  13.405
  116    H    ALA  15           HN       ALA  15  55.581   1.751   9.739
  117    HA   ALA  15           HA       ALA  15  54.333   3.975  11.187
  118   1HB   ALA  15           HB1      ALA  15  56.760   3.786  10.386
  119   2HB   ALA  15           HB3      ALA  15  56.140   3.920   8.741
  120   3HB   ALA  15           HB2      ALA  15  55.929   5.255   9.873
  121    H    GLU  16           HN       GLU  16  54.463   5.540   8.674
  122    HA   GLU  16           HA       GLU  16  52.210   4.422   7.090
  123   1HB   GLU  16           HB2      GLU  16  52.367   7.187   8.358
  124   2HB   GLU  16           HB1      GLU  16  51.063   6.618   7.311
  125   1HG   GLU  16           HG2      GLU  16  51.396   4.679   9.367
  126   2HG   GLU  16           HG1      GLU  16  51.354   6.262  10.141
  127    H    GLU  17           HN       GLU  17  52.140   7.229   5.928
  128    HA   GLU  17           HA       GLU  17  54.353   6.864   4.003
  129   1HB   GLU  17           HB2      GLU  17  52.028   8.816   4.169
  130   2HB   GLU  17           HB1      GLU  17  53.113   8.649   2.788
  131   1HG   GLU  17           HG2      GLU  17  52.174   6.042   3.468
  132   2HG   GLU  17           HG1      GLU  17  50.774   7.113   3.393
  133    H    ARG  18           HN       ARG  18  53.744   8.536   6.888
  134    HA   ARG  18           HA       ARG  18  55.155  10.993   6.333
  135   1HB   ARG  18           HB2      ARG  18  54.476  11.501   8.474
  136   2HB   ARG  18           HB1      ARG  18  53.422  10.119   8.209
  137   1HG   ARG  18           HG2      ARG  18  56.169   9.872   9.473
  138   2HG   ARG  18           HG1      ARG  18  54.699  10.111  10.409
  139   1HD   ARG  18           HD2      ARG  18  54.534   7.916   8.422
  140   2HD   ARG  18           HD1      ARG  18  55.664   7.640   9.760
  141    HE   ARG  18           HE       ARG  18  52.749   8.155  10.053
  142   1HH1  ARG  18          HH11      ARG  18  53.231   9.320  12.405
  143   2HH1  ARG  18          HH12      ARG  18  53.785   8.117  13.522
  144   1HH2  ARG  18          HH21      ARG  18  54.599   5.821  11.057
  145   2HH2  ARG  18          HH22      ARG  18  54.562   6.139  12.758
  146    H    GLU  19           HN       GLU  19  56.244   7.784   7.354
  147    HA   GLU  19           HA       GLU  19  58.928   8.961   7.919
  148   1HB   GLU  19           HB2      GLU  19  57.365   6.918   9.103
  149   2HB   GLU  19           HB1      GLU  19  58.761   6.129   8.359
  150   1HG   GLU  19           HG2      GLU  19  60.250   7.140   9.751
  151   2HG   GLU  19           HG1      GLU  19  59.352   8.658   9.765
  152    H    ILE  20           HN       ILE  20  57.280   6.521   5.966
  153    HA   ILE  20           HA       ILE  20  59.610   5.619   4.623
  154    HB   ILE  20           HB       ILE  20  56.772   5.289   4.578
  155   1HG1  ILE  20          HG12      ILE  20  57.413   3.162   3.520
  156   2HG1  ILE  20          HG11      ILE  20  59.022   3.809   3.204
  157   1HG2  ILE  20          HG22      ILE  20  58.018   5.769   1.855
  158   2HG2  ILE  20          HG21      ILE  20  56.511   4.885   2.094
  159   3HG2  ILE  20          HG23      ILE  20  56.616   6.588   2.543
  160   1HD1  ILE  20          HD12      ILE  20  59.316   4.156   5.662
  161   2HD1  ILE  20          HD11      ILE  20  57.761   3.372   5.924
  162   3HD1  ILE  20          HD13      ILE  20  59.102   2.461   5.232
  163    H    ARG  21           HN       ARG  21  57.807   8.581   4.441
  164    HA   ARG  21           HA       ARG  21  58.903   9.291   1.804
  165   1HB   ARG  21           HB2      ARG  21  57.358  11.088   1.902
  166   2HB   ARG  21           HB1      ARG  21  56.545   9.789   2.769
  167   1HG   ARG  21           HG2      ARG  21  57.162  10.724   4.901
  168   2HG   ARG  21           HG1      ARG  21  58.226  11.905   4.135
  169   1HD   ARG  21           HD2      ARG  21  55.206  11.772   3.791
  170   2HD   ARG  21           HD1      ARG  21  56.097  12.987   4.731
  171    HE   ARG  21           HE       ARG  21  57.273  13.557   2.541
  172   1HH1  ARG  21          HH21      ARG  21  56.761  12.346   0.305
  173   2HH1  ARG  21          HH22      ARG  21  55.166  12.736  -0.247
  174   1HH2  ARG  21          HH11      ARG  21  54.105  13.928   2.831
  175   2HH2  ARG  21          HH12      ARG  21  53.663  13.631   1.183
  176    H    LYS  22           HN       LYS  22  59.495  10.038   5.171
  177    HA   LYS  22           HA       LYS  22  61.508  12.081   4.427
  178   1HB   LYS  22           HB2      LYS  22  59.800  12.468   6.238
  179   2HB   LYS  22           HB1      LYS  22  60.494  11.109   7.126
  180   1HG   LYS  22           HG2      LYS  22  62.751  12.435   6.768
  181   2HG   LYS  22           HG1      LYS  22  61.666  13.814   6.584
  182   1HD   LYS  22           HD2      LYS  22  62.369  13.546   8.937
  183   2HD   LYS  22           HD1      LYS  22  60.632  13.297   8.761
  184   1HE   LYS  22           HE2      LYS  22  60.779  11.130   9.439
  185   2HE   LYS  22           HE1      LYS  22  62.190  10.826   8.405
  186   1HZ   LYS  22           HZ3      LYS  22  62.310  12.456  10.882
  187   2HZ   LYS  22           HZ2      LYS  22  62.661  10.794  10.853
  188   3HZ   LYS  22           HZ1      LYS  22  63.612  11.881   9.958
  189    H    ALA  23           HN       ALA  23  61.052   8.821   5.537
  190    HA   ALA  23           HA       ALA  23  63.841   8.446   6.416
  191   1HB   ALA  23           HB2      ALA  23  61.749   7.225   7.258
  192   2HB   ALA  23           HB1      ALA  23  61.744   6.367   5.717
  193   3HB   ALA  23           HB3      ALA  23  63.107   6.186   6.822
  194    H    TYR  24           HN       TYR  24  61.797   7.381   3.684
  195    HA   TYR  24           HA       TYR  24  63.595   5.978   2.104
  196   1HB   TYR  24           HB2      TYR  24  61.390   6.263   1.301
  197   2HB   TYR  24           HB1      TYR  24  61.435   8.008   1.543
  198    HD1  TYR  24           HD2      TYR  24  62.727   9.466   0.000
  199    HD2  TYR  24           HD1      TYR  24  62.260   5.259  -0.714
  200    HE1  TYR  24           HE2      TYR  24  63.465   9.784  -2.345
  201    HE2  TYR  24           HE1      TYR  24  63.000   5.574  -3.058
  202    HH   TYR  24           HH       TYR  24  62.922   7.806  -4.727
  203    H    LYS  25           HN       LYS  25  63.164   9.504   2.280
  204    HA   LYS  25           HA       LYS  25  65.491  10.067   0.601
  205   1HB   LYS  25           HB2      LYS  25  63.138  11.339   1.502
  206   2HB   LYS  25           HB1      LYS  25  64.472  12.276   2.174
  207   1HG   LYS  25           HG2      LYS  25  65.474  12.059  -0.248
  208   2HG   LYS  25           HG1      LYS  25  63.798  11.741  -0.702
  209   1HD   LYS  25           HD2      LYS  25  63.503  13.904   0.947
  210   2HD   LYS  25           HD1      LYS  25  65.059  14.254   0.193
  211   1HE   LYS  25           HE2      LYS  25  64.125  14.570  -1.882
  212   2HE   LYS  25           HE1      LYS  25  62.915  13.294  -1.637
  213   1HZ   LYS  25           HZ3      LYS  25  61.873  14.770   0.049
  214   2HZ   LYS  25           HZ2      LYS  25  62.925  16.011  -0.439
  215   3HZ   LYS  25           HZ1      LYS  25  61.788  15.377  -1.532
  216    H    ARG  26           HN       ARG  26  64.663  10.352   4.099
  217    HA   ARG  26           HA       ARG  26  67.176  11.508   4.895
  218   1HB   ARG  26           HB2      ARG  26  65.186  11.453   6.312
  219   2HB   ARG  26           HB1      ARG  26  65.237   9.690   6.354
  220   1HG   ARG  26           HG2      ARG  26  66.227  10.773   8.392
  221   2HG   ARG  26           HG1      ARG  26  67.351   9.720   7.535
  222   1HD   ARG  26           HD2      ARG  26  68.695  11.467   6.887
  223   2HD   ARG  26           HD1      ARG  26  67.323  12.574   6.680
  224    HE   ARG  26           HE       ARG  26  67.238  12.795   9.151
  225   1HH1  ARG  26          HH11      ARG  26  68.756  10.373   9.952
  226   2HH1  ARG  26          HH12      ARG  26  70.314  11.015  10.348
  227   1HH2  ARG  26          HH21      ARG  26  69.784  14.026   8.715
  228   2HH2  ARG  26          HH22      ARG  26  70.896  13.084   9.650
  229    H    LEU  27           HN       LEU  27  66.316   8.225   4.031
  230    HA   LEU  27           HA       LEU  27  68.862   7.188   5.180
  231   1HB   LEU  27           HB2      LEU  27  66.205   6.207   4.663
  232   2HB   LEU  27           HB1      LEU  27  67.379   5.193   3.828
  233    HG   LEU  27           HG       LEU  27  66.991   4.381   6.128
  234   1HD1  LEU  27          HD12      LEU  27  69.398   4.705   4.884
  235   2HD1  LEU  27          HD11      LEU  27  69.697   5.557   6.399
  236   3HD1  LEU  27          HD13      LEU  27  69.197   3.866   6.422
  237   1HD2  LEU  27          HD23      LEU  27  66.502   6.799   6.932
  238   2HD2  LEU  27          HD22      LEU  27  67.370   5.731   8.036
  239   3HD2  LEU  27          HD21      LEU  27  68.251   6.944   7.108
  240    H    ALA  28           HN       ALA  28  67.250   7.768   2.077
  241    HA   ALA  28           HA       ALA  28  69.211   6.348   0.480
  242   1HB   ALA  28           HB2      ALA  28  66.852   6.951  -0.154
  243   2HB   ALA  28           HB1      ALA  28  67.376   8.632  -0.265
  244   3HB   ALA  28           HB3      ALA  28  68.057   7.423  -1.353
  245    H    MET  29           HN       MET  29  68.874   9.588   1.784
  246    HA   MET  29           HA       MET  29  70.679  11.080   0.247
  247   1HB   MET  29           HB2      MET  29  69.317  11.725   2.274
  248   2HB   MET  29           HB1      MET  29  70.545  10.930   3.261
  249   1HG   MET  29           HG2      MET  29  71.751  12.825   3.217
  250   2HG   MET  29           HG1      MET  29  71.944  12.611   1.478
  251   1HE   MET  29           HE1      MET  29  70.696  14.180   4.328
  252   2HE   MET  29           HE3      MET  29  71.177  15.691   3.542
  253   3HE   MET  29           HE2      MET  29  69.483  15.389   3.920
  254    H    LYS  30           HN       LYS  30  71.264   8.908   2.938
  255    HA   LYS  30           HA       LYS  30  74.060   8.973   3.200
  256   1HB   LYS  30           HB2      LYS  30  71.744   7.352   3.850
  257   2HB   LYS  30           HB1      LYS  30  73.128   6.319   3.479
  258   1HG   LYS  30           HG2      LYS  30  73.503   6.703   5.738
  259   2HG   LYS  30           HG1      LYS  30  74.425   8.029   5.031
  260   1HD   LYS  30           HD2      LYS  30  72.025   9.235   5.189
  261   2HD   LYS  30           HD1      LYS  30  71.851   8.101   6.529
  262   1HE   LYS  30           HE2      LYS  30  73.153   9.428   7.819
  263   2HE   LYS  30           HE1      LYS  30  74.479   9.271   6.651
  264   1HZ   LYS  30           HZ1      LYS  30  72.210  10.977   5.937
  265   2HZ   LYS  30           HZ3      LYS  30  73.315  11.580   7.073
  266   3HZ   LYS  30           HZ2      LYS  30  73.851  11.131   5.525
  267    H    TYR  31           HN       TYR  31  72.076   7.790   0.644
  268    HA   TYR  31           HA       TYR  31  74.418   6.330  -0.550
  269   1HB   TYR  31           HB2      TYR  31  71.471   5.888  -1.079
  270   2HB   TYR  31           HB1      TYR  31  72.812   4.804  -1.468
  271    HD1  TYR  31           HD1      TYR  31  74.430   4.917   0.987
  272    HD2  TYR  31           HD2      TYR  31  70.168   4.717   0.501
  273    HE1  TYR  31           HE1      TYR  31  74.228   3.851   3.217
  274    HE2  TYR  31           HE2      TYR  31  69.964   3.649   2.731
  275    HH   TYR  31           HH       TYR  31  72.845   3.050   4.751
  276    H    HIS  32           HN       HIS  32  71.715   8.545  -1.232
  277    HA   HIS  32           HA       HIS  32  71.430   8.927  -3.850
  278   1HB   HIS  32           HB2      HIS  32  71.567  10.601  -1.557
  279   2HB   HIS  32           HB1      HIS  32  72.370  11.459  -2.878
  280    HD1  HIS  32           HD1      HIS  32  70.923  11.528  -5.202
  281    HD2  HIS  32           HD2      HIS  32  68.801  10.692  -1.713
  282    HE1  HIS  32           HE1      HIS  32  68.480  11.931  -5.736
  283    HA   PRO  33           HA       PRO  33  75.859   8.608  -5.050
  284   1HB   PRO  33           HB2      PRO  33  75.241   7.616  -7.536
  285   2HB   PRO  33           HB1      PRO  33  75.375   6.600  -6.084
  286   1HG   PRO  33           HG2      PRO  33  72.926   7.785  -7.333
  287   2HG   PRO  33           HG1      PRO  33  73.210   6.120  -6.781
  288   1HD   PRO  33           HD2      PRO  33  71.867   7.809  -5.251
  289   2HD   PRO  33           HD1      PRO  33  73.064   6.708  -4.528
  290    H    ASP  34           HN       ASP  34  73.069  10.088  -6.675
  291    HA   ASP  34           HA       ASP  34  74.105  11.485  -8.811
  292   1HB   ASP  34           HB2      ASP  34  71.815  11.601  -7.616
  293   2HB   ASP  34           HB1      ASP  34  72.542  12.851  -6.607
  294    H    ARG  35           HN       ARG  35  74.555  12.259  -5.383
  295    HA   ARG  35           HA       ARG  35  76.663  14.250  -6.051
  296   1HB   ARG  35           HB2      ARG  35  76.132  15.104  -3.893
  297   2HB   ARG  35           HB1      ARG  35  74.572  14.652  -4.565
  298   1HG   ARG  35           HG2      ARG  35  74.797  12.435  -3.396
  299   2HG   ARG  35           HG1      ARG  35  76.251  13.043  -2.608
  300   1HD   ARG  35           HD2      ARG  35  73.630  14.553  -2.441
  301   2HD   ARG  35           HD1      ARG  35  74.049  13.276  -1.282
  302    HE   ARG  35           HE       ARG  35  76.266  15.087  -1.616
  303   1HH1  ARG  35          HH11      ARG  35  75.396  14.019   1.025
  304   2HH1  ARG  35          HH12      ARG  35  74.735  15.423   1.795
  305   1HH2  ARG  35          HH21      ARG  35  74.434  17.226  -1.152
  306   2HH2  ARG  35          HH22      ARG  35  74.188  17.237   0.563
  307    H    ASN  36           HN       ASN  36  75.985  11.114  -4.756
  308    HA   ASN  36           HA       ASN  36  78.678  10.869  -3.508
  309   1HB   ASN  36           HB2      ASN  36  75.995   9.507  -3.280
  310   2HB   ASN  36           HB1      ASN  36  77.453   8.721  -2.679
  311   1HD2  ASN  36          HD22      ASN  36  77.929  10.974   0.034
  312   2HD2  ASN  36          HD21      ASN  36  78.690   9.822  -0.955
  313    H    GLN  37           HN       GLN  37  78.618  10.732  -6.429
  314    HA   GLN  37           HA       GLN  37  78.585   7.873  -7.120
  315   1HB   GLN  37           HB2      GLN  37  79.203  10.455  -8.527
  316   2HB   GLN  37           HB1      GLN  37  79.643   8.918  -9.272
  317   1HG   GLN  37           HG2      GLN  37  77.485   8.356  -9.702
  318   2HG   GLN  37           HG1      GLN  37  76.906   9.015  -8.174
  319   1HE2  GLN  37          HE22      GLN  37  75.576  11.223 -10.854
  320   2HE2  GLN  37          HE21      GLN  37  75.364   9.604 -10.388
  321    H    GLY  38           HN       GLY  38  80.675   9.659  -5.321
  322   1HA   GLY  38           HA2      GLY  38  83.236   8.997  -6.445
  323   2HA   GLY  38           HA1      GLY  38  82.938   9.358  -4.738
  324    H    ASP  39           HN       ASP  39  80.753   7.176  -4.997
  325    HA   ASP  39           HA       ASP  39  82.532   4.780  -4.785
  326   1HB   ASP  39           HB2      ASP  39  81.011   6.169  -2.791
  327   2HB   ASP  39           HB1      ASP  39  80.230   4.613  -3.071
  328    H    LYS  40           HN       LYS  40  79.242   6.043  -5.262
  329    HA   LYS  40           HA       LYS  40  77.499   5.334  -6.672
  330   1HB   LYS  40           HB2      LYS  40  79.631   3.604  -7.783
  331   2HB   LYS  40           HB1      LYS  40  78.233   4.209  -8.649
  332   1HG   LYS  40           HG2      LYS  40  79.074   6.504  -8.313
  333   2HG   LYS  40           HG1      LYS  40  80.474   5.853  -7.464
  334   1HD   LYS  40           HD2      LYS  40  80.379   4.434  -9.880
  335   2HD   LYS  40           HD1      LYS  40  80.041   6.109 -10.321
  336   1HE   LYS  40           HE2      LYS  40  82.101   6.880  -9.501
  337   2HE   LYS  40           HE1      LYS  40  82.306   5.478  -8.431
  338   1HZ   LYS  40           HZ1      LYS  40  82.072   4.273 -10.791
  339   2HZ   LYS  40           HZ3      LYS  40  82.816   5.714 -11.286
  340   3HZ   LYS  40           HZ2      LYS  40  83.570   4.725 -10.127
  341    H    GLU  41           HN       GLU  41  78.960   3.403  -4.448
  342    HA   GLU  41           HA       GLU  41  77.794   0.815  -4.963
  343   1HB   GLU  41           HB2      GLU  41  78.328   0.502  -2.532
  344   2HB   GLU  41           HB1      GLU  41  79.679   1.192  -3.432
  345   1HG   GLU  41           HG2      GLU  41  79.689   2.941  -2.020
  346   2HG   GLU  41           HG1      GLU  41  78.071   3.368  -2.580
  347    H    ALA  42           HN       ALA  42  76.421   3.803  -4.145
  348    HA   ALA  42           HA       ALA  42  74.218   2.834  -2.488
  349   1HB   ALA  42           HB2      ALA  42  75.097   5.353  -3.852
  350   2HB   ALA  42           HB1      ALA  42  73.394   5.219  -3.408
  351   3HB   ALA  42           HB3      ALA  42  74.641   5.099  -2.167
  352    H    GLU  43           HN       GLU  43  75.010   3.036  -5.844
  353    HA   GLU  43           HA       GLU  43  72.642   3.224  -7.245
  354   1HB   GLU  43           HB2      GLU  43  74.785   2.854  -8.288
  355   2HB   GLU  43           HB1      GLU  43  74.971   1.298  -7.478
  356   1HG   GLU  43           HG2      GLU  43  73.200   0.313  -8.769
  357   2HG   GLU  43           HG1      GLU  43  72.707   1.883  -9.403
  358    H    ALA  44           HN       ALA  44  73.737   0.537  -5.215
  359    HA   ALA  44           HA       ALA  44  71.409  -1.139  -5.889
  360   1HB   ALA  44           HB2      ALA  44  73.912  -1.297  -4.233
  361   2HB   ALA  44           HB1      ALA  44  72.595  -2.413  -3.869
  362   3HB   ALA  44           HB3      ALA  44  73.328  -2.407  -5.474
  363    H    LYS  45           HN       LYS  45  72.732   0.357  -2.878
  364    HA   LYS  45           HA       LYS  45  70.558  -0.070  -1.185
  365   1HB   LYS  45           HB2      LYS  45  72.848   1.622  -1.346
  366   2HB   LYS  45           HB1      LYS  45  71.479   2.633  -0.870
  367   1HG   LYS  45           HG2      LYS  45  71.793   1.832   1.218
  368   2HG   LYS  45           HG1      LYS  45  71.128   0.311   0.617
  369   1HD   LYS  45           HD2      LYS  45  73.826   0.415  -0.236
  370   2HD   LYS  45           HD1      LYS  45  73.814   0.878   1.467
  371   1HE   LYS  45           HE2      LYS  45  72.069  -1.237   1.498
  372   2HE   LYS  45           HE1      LYS  45  73.209  -1.744   0.234
  373   1HZ   LYS  45           HZ1      LYS  45  74.113  -0.590   2.807
  374   2HZ   LYS  45           HZ3      LYS  45  73.870  -2.257   2.612
  375   3HZ   LYS  45           HZ2      LYS  45  75.027  -1.453   1.664
  376    H    PHE  46           HN       PHE  46  70.835   2.184  -3.886
  377    HA   PHE  46           HA       PHE  46  68.552   3.816  -3.394
  378   1HB   PHE  46           HB2      PHE  46  70.449   3.758  -5.256
  379   2HB   PHE  46           HB1      PHE  46  69.261   2.793  -6.133
  380    HD1  PHE  46           HD1      PHE  46  69.469   5.963  -4.131
  381    HD2  PHE  46           HD2      PHE  46  67.693   3.897  -7.452
  382    HE1  PHE  46           HE1      PHE  46  68.261   8.032  -4.771
  383    HE2  PHE  46           HE2      PHE  46  66.483   5.967  -8.092
  384    HZ   PHE  46           HZ       PHE  46  66.768   8.033  -6.751
  385    H    LYS  47           HN       LYS  47  68.925   0.543  -4.585
  386    HA   LYS  47           HA       LYS  47  66.137   0.218  -5.293
  387   1HB   LYS  47           HB2      LYS  47  66.887  -1.884  -6.017
  388   2HB   LYS  47           HB1      LYS  47  68.422  -1.030  -6.017
  389   1HG   LYS  47           HG2      LYS  47  69.205  -2.164  -4.170
  390   2HG   LYS  47           HG1      LYS  47  67.600  -2.400  -3.490
  391   1HD   LYS  47           HD2      LYS  47  67.777  -4.501  -4.302
  392   2HD   LYS  47           HD1      LYS  47  67.406  -3.757  -5.857
  393   1HE   LYS  47           HE2      LYS  47  69.756  -3.545  -6.399
  394   2HE   LYS  47           HE1      LYS  47  70.223  -4.091  -4.776
  395   1HZ   LYS  47           HZ3      LYS  47  68.764  -6.107  -5.302
  396   2HZ   LYS  47           HZ2      LYS  47  68.897  -5.626  -6.926
  397   3HZ   LYS  47           HZ1      LYS  47  70.289  -6.030  -6.040
  398    H    GLU  48           HN       GLU  48  68.356  -0.518  -2.613
  399    HA   GLU  48           HA       GLU  48  66.426  -1.699  -0.889
  400   1HB   GLU  48           HB2      GLU  48  68.873   0.034  -0.385
  401   2HB   GLU  48           HB1      GLU  48  68.014  -0.818   0.895
  402   1HG   GLU  48           HG2      GLU  48  68.437  -2.759  -1.078
  403   2HG   GLU  48           HG1      GLU  48  69.948  -1.850  -1.011
  404    H    ILE  49           HN       ILE  49  66.831   1.486  -2.157
  405    HA   ILE  49           HA       ILE  49  65.136   2.700  -0.065
  406    HB   ILE  49           HB       ILE  49  66.470   3.779  -2.570
  407   1HG1  ILE  49          HG12      ILE  49  68.334   3.608  -1.270
  408   2HG1  ILE  49          HG11      ILE  49  67.670   5.002  -0.423
  409   1HG2  ILE  49          HG23      ILE  49  64.329   4.842  -1.358
  410   2HG2  ILE  49          HG22      ILE  49  65.597   5.542  -0.355
  411   3HG2  ILE  49          HG21      ILE  49  65.590   5.826  -2.097
  412   1HD1  ILE  49          HD13      ILE  49  66.426   3.359   1.057
  413   2HD1  ILE  49          HD12      ILE  49  67.402   2.090   0.322
  414   3HD1  ILE  49          HD11      ILE  49  68.177   3.369   1.247
  415    H    LYS  50           HN       LYS  50  65.138   2.741  -3.641
  416    HA   LYS  50           HA       LYS  50  62.230   3.129  -3.559
  417   1HB   LYS  50           HB2      LYS  50  62.572   3.372  -6.038
  418   2HB   LYS  50           HB1      LYS  50  63.611   4.435  -5.089
  419   1HG   LYS  50           HG2      LYS  50  65.502   3.395  -5.785
  420   2HG   LYS  50           HG1      LYS  50  64.791   1.791  -5.598
  421   1HD   LYS  50           HD2      LYS  50  63.948   3.598  -7.859
  422   2HD   LYS  50           HD1      LYS  50  65.384   2.583  -7.999
  423   1HE   LYS  50           HE2      LYS  50  64.149   0.594  -7.903
  424   2HE   LYS  50           HE1      LYS  50  62.782   1.370  -7.081
  425   1HZ   LYS  50           HZ3      LYS  50  62.940   2.832  -9.304
  426   2HZ   LYS  50           HZ2      LYS  50  63.454   1.329  -9.905
  427   3HZ   LYS  50           HZ1      LYS  50  61.939   1.471  -9.154
  428    H    GLU  51           HN       GLU  51  64.445   0.456  -3.941
  429    HA   GLU  51           HA       GLU  51  62.459  -1.214  -5.358
  430   1HB   GLU  51           HB2      GLU  51  65.053  -1.167  -5.612
  431   2HB   GLU  51           HB1      GLU  51  65.077  -2.072  -4.102
  432   1HG   GLU  51           HG2      GLU  51  65.126  -3.464  -6.187
  433   2HG   GLU  51           HG1      GLU  51  63.847  -3.858  -5.041
  434    H    ALA  52           HN       ALA  52  63.690  -0.549  -2.158
  435    HA   ALA  52           HA       ALA  52  62.366  -2.876  -0.894
  436   1HB   ALA  52           HB2      ALA  52  64.599  -1.520  -0.365
  437   2HB   ALA  52           HB1      ALA  52  63.484  -0.489   0.531
  438   3HB   ALA  52           HB3      ALA  52  63.634  -2.193   0.947
  439    H    TYR  53           HN       TYR  53  62.221   0.655  -0.668
  440    HA   TYR  53           HA       TYR  53  59.713   0.662   0.808
  441   1HB   TYR  53           HB2      TYR  53  60.652   2.616   1.401
  442   2HB   TYR  53           HB1      TYR  53  61.980   2.251   0.319
  443    HD1  TYR  53           HD2      TYR  53  61.051   2.598  -2.310
  444    HD2  TYR  53           HD1      TYR  53  59.950   4.795   1.198
  445    HE1  TYR  53           HE2      TYR  53  60.538   4.566  -3.714
  446    HE2  TYR  53           HE1      TYR  53  59.439   6.772  -0.192
  447    HH   TYR  53           HH       TYR  53  60.434   7.130  -3.329
  448    H    GLU  54           HN       GLU  54  60.161  -0.135  -2.282
  449    HA   GLU  54           HA       GLU  54  58.236   1.615  -3.627
  450   1HB   GLU  54           HB2      GLU  54  59.513   0.713  -5.283
  451   2HB   GLU  54           HB1      GLU  54  60.102  -0.560  -4.218
  452   1HG   GLU  54           HG2      GLU  54  58.346  -2.013  -4.777
  453   2HG   GLU  54           HG1      GLU  54  57.315  -0.701  -5.350
  454    H    VAL  55           HN       VAL  55  58.204  -1.322  -1.760
  455    HA   VAL  55           HA       VAL  55  55.377  -1.867  -2.526
  456    HB   VAL  55           HB       VAL  55  56.029  -4.027  -2.326
  457   1HG1  VAL  55          HG11      VAL  55  58.299  -3.033  -2.870
  458   2HG1  VAL  55          HG13      VAL  55  58.668  -3.155  -1.150
  459   3HG1  VAL  55          HG12      VAL  55  58.324  -4.612  -2.083
  460   1HG2  VAL  55          HG23      VAL  55  56.499  -3.184   0.516
  461   2HG2  VAL  55          HG22      VAL  55  55.377  -4.385  -0.123
  462   3HG2  VAL  55          HG21      VAL  55  57.100  -4.749  -0.013
  463    H    LEU  56           HN       LEU  56  56.603   0.302  -0.729
  464    HA   LEU  56           HA       LEU  56  55.000  -0.239   1.727
  465   1HB   LEU  56           HB2      LEU  56  57.518   1.135   1.004
  466   2HB   LEU  56           HB1      LEU  56  56.539   1.971   2.212
  467    HG   LEU  56           HG       LEU  56  56.575   0.079   3.679
  468   1HD1  LEU  56          HD11      LEU  56  57.675  -1.379   1.268
  469   2HD1  LEU  56          HD13      LEU  56  57.809  -2.032   2.901
  470   3HD1  LEU  56          HD12      LEU  56  56.218  -1.750   2.193
  471   1HD2  LEU  56          HD21      LEU  56  59.074   1.101   2.532
  472   2HD2  LEU  56          HD23      LEU  56  58.628   0.875   4.223
  473   3HD2  LEU  56          HD22      LEU  56  59.266  -0.479   3.289
  474    H    THR  57           HN       THR  57  54.685   1.159  -1.225
  475    HA   THR  57           HA       THR  57  52.697   3.142  -0.256
  476    HB   THR  57           HB       THR  57  53.865   4.962  -0.986
  477    HG1  THR  57           HG1      THR  57  54.814   5.019  -2.993
  478   1HG2  THR  57          HG23      THR  57  55.618   3.741   0.289
  479   2HG2  THR  57          HG22      THR  57  56.163   2.995  -1.213
  480   3HG2  THR  57          HG21      THR  57  56.304   4.739  -0.994
  481    H    ASP  58           HN       ASP  58  53.119   0.507  -2.001
  482    HA   ASP  58           HA       ASP  58  51.751   1.449  -4.481
  483   1HB   ASP  58           HB2      ASP  58  53.697   0.135  -4.885
  484   2HB   ASP  58           HB1      ASP  58  53.252  -1.039  -3.641
  485    H    SER  59           HN       SER  59  49.561   1.526  -4.082
  486    HA   SER  59           HA       SER  59  47.422   0.888  -3.279
  487   1HB   SER  59           HB2      SER  59  47.328  -0.297  -5.266
  488   2HB   SER  59           HB1      SER  59  48.725  -1.290  -4.858
  489    HG   SER  59           HG       SER  59  46.299  -2.049  -4.702
  490    H    GLN  60           HN       GLN  60  48.680  -2.347  -2.910
  491    HA   GLN  60           HA       GLN  60  47.702  -2.478  -0.153
  492   1HB   GLN  60           HB2      GLN  60  48.368  -4.834  -0.390
  493   2HB   GLN  60           HB1      GLN  60  47.494  -4.300  -1.827
  494   1HG   GLN  60           HG2      GLN  60  49.978  -3.658  -2.605
  495   2HG   GLN  60           HG1      GLN  60  50.369  -4.975  -1.501
  496   1HE2  GLN  60          HE22      GLN  60  48.716  -5.806  -5.097
  497   2HE2  GLN  60          HE21      GLN  60  49.120  -4.222  -4.643
  498    H    LYS  61           HN       LYS  61  50.860  -2.272  -1.751
  499    HA   LYS  61           HA       LYS  61  53.035  -2.137  -0.898
  500   1HB   LYS  61           HB2      LYS  61  52.678  -0.667   1.442
  501   2HB   LYS  61           HB1      LYS  61  52.915  -0.001  -0.168
  502   1HG   LYS  61           HG2      LYS  61  50.371  -0.203  -0.457
  503   2HG   LYS  61           HG1      LYS  61  50.309  -0.486   1.283
  504   1HD   LYS  61           HD2      LYS  61  50.464   1.721   1.662
  505   2HD   LYS  61           HD1      LYS  61  51.994   1.775   0.786
  506   1HE   LYS  61           HE2      LYS  61  50.926   2.986  -0.807
  507   2HE   LYS  61           HE1      LYS  61  50.011   1.517  -1.202
  508   1HZ   LYS  61           HZ2      LYS  61  49.218   3.026   1.178
  509   2HZ   LYS  61           HZ1      LYS  61  48.807   3.685  -0.333
  510   3HZ   LYS  61           HZ3      LYS  61  48.260   2.137   0.092
  511    H    ARG  62           HN       ARG  62  51.541  -1.934   2.237
  512    HA   ARG  62           HA       ARG  62  53.262  -3.692   3.593
  513   1HB   ARG  62           HB2      ARG  62  50.322  -3.314   4.216
  514   2HB   ARG  62           HB1      ARG  62  51.646  -3.553   5.356
  515   1HG   ARG  62           HG2      ARG  62  52.254  -1.268   3.727
  516   2HG   ARG  62           HG1      ARG  62  50.621  -1.083   4.367
  517   1HD   ARG  62           HD2      ARG  62  52.906  -1.923   6.151
  518   2HD   ARG  62           HD1      ARG  62  52.567  -0.213   5.824
  519    HE   ARG  62           HE       ARG  62  50.087  -1.354   6.451
  520   1HH1  ARG  62          HH21      ARG  62  50.941  -3.087   8.441
  521   2HH1  ARG  62          HH22      ARG  62  51.289  -2.110   9.828
  522   1HH2  ARG  62          HH11      ARG  62  51.497   0.842   8.022
  523   2HH2  ARG  62          HH12      ARG  62  51.606   0.115   9.590
  524    H    ALA  63           HN       ALA  63  49.918  -4.496   2.537
  525    HA   ALA  63           HA       ALA  63  49.949  -7.241   3.076
  526   1HB   ALA  63           HB2      ALA  63  48.513  -5.335   1.417
  527   2HB   ALA  63           HB1      ALA  63  48.619  -6.901   0.613
  528   3HB   ALA  63           HB3      ALA  63  47.900  -6.782   2.219
  529    H    ALA  64           HN       ALA  64  51.226  -5.558   0.203
  530    HA   ALA  64           HA       ALA  64  52.154  -8.085  -1.002
  531   1HB   ALA  64           HB1      ALA  64  52.230  -5.142  -1.674
  532   2HB   ALA  64           HB3      ALA  64  53.098  -6.325  -2.653
  533   3HB   ALA  64           HB2      ALA  64  51.343  -6.426  -2.497
  534    H    TYR  65           HN       TYR  65  53.291  -5.837   1.276
  535    HA   TYR  65           HA       TYR  65  56.130  -5.993   0.642
  536   1HB   TYR  65           HB2      TYR  65  55.982  -4.136   1.960
  537   2HB   TYR  65           HB1      TYR  65  54.317  -4.517   2.325
  538    HD1  TYR  65           HD1      TYR  65  57.841  -5.191   3.319
  539    HD2  TYR  65           HD2      TYR  65  53.713  -5.284   4.497
  540    HE1  TYR  65           HE1      TYR  65  58.518  -5.702   5.649
  541    HE2  TYR  65           HE2      TYR  65  54.387  -5.798   6.825
  542    HH   TYR  65           HH       TYR  65  57.822  -5.943   7.754
  543    H    ASP  66           HN       ASP  66  53.993  -7.376   3.034
  544    HA   ASP  66           HA       ASP  66  55.918  -8.612   4.567
  545   1HB   ASP  66           HB2      ASP  66  53.983  -9.076   5.627
  546   2HB   ASP  66           HB1      ASP  66  53.112  -8.523   4.202
  547    H    GLN  67           HN       GLN  67  55.050  -9.388   1.326
  548    HA   GLN  67           HA       GLN  67  57.110 -11.318   0.985
  549   1HB   GLN  67           HB2      GLN  67  54.626 -12.237   2.229
  550   2HB   GLN  67           HB1      GLN  67  55.030 -13.162   0.783
  551   1HG   GLN  67           HG2      GLN  67  57.447 -12.774   2.231
  552   2HG   GLN  67           HG1      GLN  67  56.228 -13.313   3.386
  553   1HE2  GLN  67          HE22      GLN  67  57.243 -16.547   2.209
  554   2HE2  GLN  67          HE21      GLN  67  57.500 -15.404   3.439
  555    H    TYR  68           HN       TYR  68  56.046  -9.195  -0.562
  556    HA   TYR  68           HA       TYR  68  55.365 -10.660  -3.054
  557   1HB   TYR  68           HB2      TYR  68  53.508  -9.267  -1.366
  558   2HB   TYR  68           HB1      TYR  68  53.647  -8.389  -2.894
  559    HD1  TYR  68           HD2      TYR  68  53.376  -9.693  -5.073
  560    HD2  TYR  68           HD1      TYR  68  52.319 -11.307  -1.236
  561    HE1  TYR  68           HE2      TYR  68  51.971 -11.410  -6.182
  562    HE2  TYR  68           HE1      TYR  68  50.915 -13.024  -2.343
  563    HH   TYR  68           HH       TYR  68  50.951 -13.468  -5.813
  564    H    GLY  69           HN       GLY  69  57.763  -9.688  -3.009
  565   1HA   GLY  69           HA2      GLY  69  58.132  -6.870  -3.343
  566   2HA   GLY  69           HA1      GLY  69  59.260  -8.110  -3.887
  567    H    HIS  70           HN       HIS  70  57.652  -9.485  -5.732
  568    HA   HIS  70           HA       HIS  70  56.510  -7.535  -7.620
  569   1HB   HIS  70           HB2      HIS  70  59.219  -7.858  -7.592
  570   2HB   HIS  70           HB1      HIS  70  58.747  -9.074  -8.779
  571    HD1  HIS  70           HD1      HIS  70  58.099  -5.380  -8.053
  572    HD2  HIS  70           HD2      HIS  70  58.246  -8.014 -11.282
  573    HE1  HIS  70           HE1      HIS  70  57.789  -3.976 -10.138
  574    H    ALA  71           HN       ALA  71  54.667  -8.866  -7.771
  575    HA   ALA  71           HA       ALA  71  53.396 -10.790  -8.366
  576   1HB   ALA  71           HB2      ALA  71  55.592 -10.305 -10.347
  577   2HB   ALA  71           HB1      ALA  71  54.563 -11.720 -10.569
  578   3HB   ALA  71           HB3      ALA  71  53.851 -10.107 -10.546
  579    H    ALA  72           HN       ALA  72  55.659 -11.238  -6.411
  580    HA   ALA  72           HA       ALA  72  57.265 -13.440  -6.779
  581   1HB   ALA  72           HB2      ALA  72  55.860 -12.122  -4.605
  582   2HB   ALA  72           HB1      ALA  72  55.999 -13.853  -4.298
  583   3HB   ALA  72           HB3      ALA  72  57.447 -12.891  -4.592
  584    H    PHE  73           HN       PHE  73  53.883 -13.732  -5.602
  585    HA   PHE  73           HA       PHE  73  53.776 -16.424  -6.929
  586   1HB   PHE  73           HB2      PHE  73  53.525 -15.621  -4.193
  587   2HB   PHE  73           HB1      PHE  73  51.948 -16.199  -4.735
  588    HD1  PHE  73           HD1      PHE  73  55.392 -17.220  -5.782
  589    HD2  PHE  73           HD2      PHE  73  51.715 -18.381  -3.887
  590    HE1  PHE  73           HE1      PHE  73  56.201 -19.560  -5.648
  591    HE2  PHE  73           HE2      PHE  73  52.525 -20.722  -3.752
  592    HZ   PHE  73           HZ       PHE  73  54.767 -21.312  -4.634
  593    H    GLU  74           HN       GLU  74  51.634 -17.019  -7.734
  594    HA   GLU  74           HA       GLU  74  49.297 -15.421  -7.602
  595   1HB   GLU  74           HB2      GLU  74  49.617 -14.350  -9.949
  596   2HB   GLU  74           HB1      GLU  74  50.472 -13.618  -8.593
  597   1HG   GLU  74           HG2      GLU  74  52.497 -14.150  -9.449
  598   2HG   GLU  74           HG1      GLU  74  51.987 -15.794  -9.839
  599    H    GLN  75           HN       GLN  75  49.472 -18.097  -7.645
  600    HA   GLN  75           HA       GLN  75  48.883 -20.074  -8.817
  601   1HB   GLN  75           HB2      GLN  75  47.220 -17.992 -10.269
  602   2HB   GLN  75           HB1      GLN  75  46.833 -19.705 -10.094
  603   1HG   GLN  75           HG2      GLN  75  46.007 -19.410  -8.009
  604   2HG   GLN  75           HG1      GLN  75  47.367 -18.395  -7.528
  605   1HE2  GLN  75          HE22      GLN  75  45.348 -15.527  -7.680
  606   2HE2  GLN  75          HE21      GLN  75  46.582 -16.386  -6.891
  607    H    GLY  76           HN       GLY  76  51.196 -19.874  -9.818
  608   1HA   GLY  76           HA2      GLY  76  51.157 -20.620 -12.523
  609   2HA   GLY  76           HA1      GLY  76  51.481 -18.886 -12.508
  610    H    GLY  77           HN       GLY  77  53.238 -18.294 -10.752
  611   1HA   GLY  77           HA2      GLY  77  55.213 -19.461  -9.566
  612   2HA   GLY  77           HA1      GLY  77  55.489 -20.222 -11.134
   
  No H/Q in entry =         612
  Start of MODEL   15
    1   1H    ALA   1           HT2      ALA   1  64.662 -15.115   2.499
    2   2H    ALA   1           HT1      ALA   1  63.783 -14.034   1.526
    3   3H    ALA   1           HT3      ALA   1  65.078 -14.909   0.864
    4    HA   ALA   1           HA       ALA   1  66.636 -13.503   1.664
    5   1HB   ALA   1           HB2      ALA   1  64.857 -12.210   0.452
    6   2HB   ALA   1           HB1      ALA   1  64.115 -11.848   2.011
    7   3HB   ALA   1           HB3      ALA   1  65.727 -11.236   1.638
    8    H    LYS   2           HN       LYS   2  67.594 -12.468   3.525
    9    HA   LYS   2           HA       LYS   2  66.285 -13.211   6.110
   10   1HB   LYS   2           HB2      LYS   2  69.010 -13.150   4.989
   11   2HB   LYS   2           HB1      LYS   2  68.903 -12.513   6.630
   12   1HG   LYS   2           HG2      LYS   2  68.163 -14.535   7.513
   13   2HG   LYS   2           HG1      LYS   2  67.501 -15.082   5.972
   14   1HD   LYS   2           HD2      LYS   2  70.273 -14.702   5.550
   15   2HD   LYS   2           HD1      LYS   2  70.119 -15.565   7.081
   16   1HE   LYS   2           HE2      LYS   2  70.033 -17.381   5.640
   17   2HE   LYS   2           HE1      LYS   2  68.310 -16.956   5.632
   18   1HZ   LYS   2           HZ2      LYS   2  69.531 -15.233   3.847
   19   2HZ   LYS   2           HZ1      LYS   2  70.197 -16.761   3.516
   20   3HZ   LYS   2           HZ3      LYS   2  68.516 -16.542   3.469
   21    H    GLN   3           HN       GLN   3  65.186 -10.927   5.046
   22    HA   GLN   3           HA       GLN   3  65.726  -8.921   7.040
   23   1HB   GLN   3           HB2      GLN   3  66.868  -7.288   5.592
   24   2HB   GLN   3           HB1      GLN   3  67.804  -8.779   5.673
   25   1HG   GLN   3           HG2      GLN   3  66.218  -9.346   3.553
   26   2HG   GLN   3           HG1      GLN   3  66.331  -7.594   3.386
   27   1HE2  GLN   3          HE22      GLN   3  69.262  -8.968   1.578
   28   2HE2  GLN   3          HE21      GLN   3  67.576  -8.973   1.378
   29    H    ASP   4           HN       ASP   4  64.149  -7.325   6.996
   30    HA   ASP   4           HA       ASP   4  61.880  -7.773   5.170
   31   1HB   ASP   4           HB2      ASP   4  62.000  -7.337   7.754
   32   2HB   ASP   4           HB1      ASP   4  62.126  -5.644   7.280
   33    H    TYR   5           HN       TYR   5  61.210  -4.800   5.561
   34    HA   TYR   5           HA       TYR   5  63.221  -3.430   3.912
   35   1HB   TYR   5           HB2      TYR   5  60.733  -3.123   2.517
   36   2HB   TYR   5           HB1      TYR   5  62.256  -3.780   1.925
   37    HD1  TYR   5           HD2      TYR   5  59.120  -4.672   3.738
   38    HD2  TYR   5           HD1      TYR   5  62.522  -6.103   1.541
   39    HE1  TYR   5           HE2      TYR   5  58.111  -6.935   3.648
   40    HE2  TYR   5           HE1      TYR   5  61.514  -8.365   1.450
   41    HH   TYR   5           HH       TYR   5  58.789  -9.171   1.627
   42    H    TYR   6           HN       TYR   6  59.892  -3.292   5.236
   43    HA   TYR   6           HA       TYR   6  59.792  -0.404   5.219
   44   1HB   TYR   6           HB2      TYR   6  57.954  -2.275   5.379
   45   2HB   TYR   6           HB1      TYR   6  58.265  -2.153   7.106
   46    HD1  TYR   6           HD2      TYR   6  59.094   0.999   6.128
   47    HD2  TYR   6           HD1      TYR   6  55.606  -1.506   6.361
   48    HE1  TYR   6           HE2      TYR   6  57.658   3.011   6.288
   49    HE2  TYR   6           HE1      TYR   6  54.176   0.512   6.525
   50    HH   TYR   6           HH       TYR   6  55.454   3.640   7.083
   51    H    GLU   7           HN       GLU   7  60.870  -2.881   7.441
   52    HA   GLU   7           HA       GLU   7  61.461  -0.900   9.536
   53   1HB   GLU   7           HB2      GLU   7  60.706  -3.507   9.556
   54   2HB   GLU   7           HB1      GLU   7  62.457  -3.698   9.667
   55   1HG   GLU   7           HG2      GLU   7  62.360  -1.934  11.539
   56   2HG   GLU   7           HG1      GLU   7  60.619  -2.223  11.556
   57    H    ILE   8           HN       ILE   8  62.939  -2.237   6.760
   58    HA   ILE   8           HA       ILE   8  65.696  -2.212   7.675
   59    HB   ILE   8           HB       ILE   8  64.123  -3.061   5.477
   60   1HG1  ILE   8          HG12      ILE   8  66.474  -4.054   4.845
   61   2HG1  ILE   8          HG11      ILE   8  66.960  -3.367   6.396
   62   1HG2  ILE   8          HG22      ILE   8  66.317  -1.140   4.683
   63   2HG2  ILE   8          HG21      ILE   8  65.715  -2.396   3.602
   64   3HG2  ILE   8          HG23      ILE   8  64.629  -1.129   4.171
   65   1HD1  ILE   8          HD13      ILE   8  64.468  -5.042   6.196
   66   2HD1  ILE   8          HD12      ILE   8  66.047  -5.812   6.344
   67   3HD1  ILE   8          HD11      ILE   8  65.476  -4.722   7.607
   68    H    LEU   9           HN       LEU   9  63.525   0.196   6.278
   69    HA   LEU   9           HA       LEU   9  65.698   2.061   5.616
   70   1HB   LEU   9           HB2      LEU   9  62.724   2.556   5.878
   71   2HB   LEU   9           HB1      LEU   9  63.872   3.463   4.897
   72    HG   LEU   9           HG       LEU   9  63.021   0.586   4.490
   73   1HD1  LEU   9          HD13      LEU   9  62.615   3.106   2.853
   74   2HD1  LEU   9          HD12      LEU   9  62.163   1.482   2.333
   75   3HD1  LEU   9          HD11      LEU   9  61.365   2.216   3.724
   76   1HD2  LEU   9          HD21      LEU   9  65.081   2.294   3.065
   77   2HD2  LEU   9          HD23      LEU   9  65.370   0.787   3.936
   78   3HD2  LEU   9          HD22      LEU   9  64.456   0.772   2.427
   79    H    GLY  10           HN       GLY  10  64.782   1.013   8.515
   80   1HA   GLY  10           HA2      GLY  10  64.996   1.919  10.672
   81   2HA   GLY  10           HA1      GLY  10  65.648   3.379   9.924
   82    H    VAL  11           HN       VAL  11  62.560   2.130   8.919
   83    HA   VAL  11           HA       VAL  11  61.249   4.608   9.911
   84    HB   VAL  11           HB       VAL  11  60.192   2.364   8.170
   85   1HG1  VAL  11          HG12      VAL  11  59.317   5.132   8.892
   86   2HG1  VAL  11          HG11      VAL  11  58.925   4.507   7.292
   87   3HG1  VAL  11          HG13      VAL  11  58.359   3.660   8.729
   88   1HG2  VAL  11          HG21      VAL  11  62.381   3.570   7.413
   89   2HG2  VAL  11          HG23      VAL  11  61.053   3.415   6.264
   90   3HG2  VAL  11          HG22      VAL  11  61.317   4.942   7.107
   91    H    SER  12           HN       SER  12  58.844   4.165  10.581
   92    HA   SER  12           HA       SER  12  58.840   2.364  12.866
   93   1HB   SER  12           HB2      SER  12  57.139   4.458  11.639
   94   2HB   SER  12           HB1      SER  12  56.300   3.259  12.620
   95    HG   SER  12           HG       SER  12  58.625   4.642  13.474
   96    H    LYS  13           HN       LYS  13  58.571   1.793   9.666
   97    HA   LYS  13           HA       LYS  13  57.421   0.293   8.326
   98   1HB   LYS  13           HB2      LYS  13  58.082  -1.804   8.904
   99   2HB   LYS  13           HB1      LYS  13  58.986  -0.914  10.123
  100   1HG   LYS  13           HG2      LYS  13  56.875  -1.191  11.608
  101   2HG   LYS  13           HG1      LYS  13  56.383  -2.418  10.441
  102   1HD   LYS  13           HD2      LYS  13  58.763  -3.400  10.798
  103   2HD   LYS  13           HD1      LYS  13  58.789  -2.410  12.258
  104   1HE   LYS  13           HE2      LYS  13  57.500  -3.923  13.343
  105   2HE   LYS  13           HE1      LYS  13  56.264  -3.822  12.073
  106   1HZ   LYS  13           HZ3      LYS  13  58.043  -5.150  10.729
  107   2HZ   LYS  13           HZ2      LYS  13  58.581  -5.618  12.271
  108   3HZ   LYS  13           HZ1      LYS  13  56.991  -5.963  11.784
  109    H    THR  14           HN       THR  14  55.814   1.984  10.189
  110    HA   THR  14           HA       THR  14  53.235   0.601   9.746
  111    HB   THR  14           HB       THR  14  52.595   1.272  12.109
  112    HG1  THR  14           HG1      THR  14  54.262   2.816  12.362
  113   1HG2  THR  14          HG23      THR  14  53.797  -0.991  11.228
  114   2HG2  THR  14          HG22      THR  14  54.958  -0.485  12.455
  115   3HG2  THR  14          HG21      THR  14  53.273  -0.763  12.897
  116    H    ALA  15           HN       ALA  15  55.089   3.095   9.043
  117    HA   ALA  15           HA       ALA  15  53.321   5.369   9.626
  118   1HB   ALA  15           HB3      ALA  15  55.980   5.081   9.507
  119   2HB   ALA  15           HB2      ALA  15  55.703   5.425   7.800
  120   3HB   ALA  15           HB1      ALA  15  55.215   6.596   9.025
  121    H    GLU  16           HN       GLU  16  54.278   6.506   6.999
  122    HA   GLU  16           HA       GLU  16  52.766   4.974   4.979
  123   1HB   GLU  16           HB2      GLU  16  52.057   7.751   5.998
  124   2HB   GLU  16           HB1      GLU  16  51.368   7.034   4.537
  125   1HG   GLU  16           HG2      GLU  16  50.479   5.158   5.873
  126   2HG   GLU  16           HG1      GLU  16  51.157   5.878   7.334
  127    H    GLU  17           HN       GLU  17  52.778   7.943   3.774
  128    HA   GLU  17           HA       GLU  17  55.403   7.613   2.458
  129   1HB   GLU  17           HB2      GLU  17  53.031   9.471   2.090
  130   2HB   GLU  17           HB1      GLU  17  54.473   9.519   1.076
  131   1HG   GLU  17           HG2      GLU  17  54.001   7.498   0.062
  132   2HG   GLU  17           HG1      GLU  17  53.129   6.879   1.464
  133    H    ARG  18           HN       ARG  18  53.755   9.718   4.739
  134    HA   ARG  18           HA       ARG  18  55.409  11.983   4.718
  135   1HB   ARG  18           HB2      ARG  18  54.255  12.516   6.664
  136   2HB   ARG  18           HB1      ARG  18  53.213  11.253   6.019
  137   1HG   ARG  18           HG2      ARG  18  55.446  10.658   7.981
  138   2HG   ARG  18           HG1      ARG  18  53.814  11.064   8.499
  139   1HD   ARG  18           HD2      ARG  18  53.881   8.986   6.411
  140   2HD   ARG  18           HD1      ARG  18  54.658   8.507   7.932
  141    HE   ARG  18           HE       ARG  18  51.826   9.380   7.651
  142   1HH1  ARG  18          HH11      ARG  18  52.988  10.329  10.235
  143   2HH1  ARG  18          HH12      ARG  18  52.672   8.995  11.293
  144   1HH2  ARG  18          HH21      ARG  18  52.046   6.757   8.722
  145   2HH2  ARG  18          HH22      ARG  18  52.138   6.975  10.438
  146    H    GLU  19           HN       GLU  19  56.119   8.802   6.122
  147    HA   GLU  19           HA       GLU  19  58.605   9.988   7.275
  148   1HB   GLU  19           HB2      GLU  19  56.726   8.097   8.211
  149   2HB   GLU  19           HB1      GLU  19  58.219   7.205   7.889
  150   1HG   GLU  19           HG2      GLU  19  59.394   8.311   9.488
  151   2HG   GLU  19           HG1      GLU  19  58.575   9.840   9.172
  152    H    ILE  20           HN       ILE  20  57.392   7.528   5.062
  153    HA   ILE  20           HA       ILE  20  59.982   6.447   4.507
  154    HB   ILE  20           HB       ILE  20  57.263   6.069   3.764
  155   1HG1  ILE  20          HG12      ILE  20  58.068   3.887   3.158
  156   2HG1  ILE  20          HG11      ILE  20  59.702   4.499   2.918
  157   1HG2  ILE  20          HG22      ILE  20  59.125   6.484   1.410
  158   2HG2  ILE  20          HG21      ILE  20  57.666   5.499   1.306
  159   3HG2  ILE  20          HG23      ILE  20  57.545   7.219   1.677
  160   1HD1  ILE  20          HD13      ILE  20  58.357   4.829   5.581
  161   2HD1  ILE  20          HD12      ILE  20  59.105   3.287   5.163
  162   3HD1  ILE  20          HD11      ILE  20  60.080   4.753   5.210
  163    H    ARG  21           HN       ARG  21  58.473   9.435   3.770
  164    HA   ARG  21           HA       ARG  21  60.118   9.927   1.378
  165   1HB   ARG  21           HB2      ARG  21  58.783  11.891   1.168
  166   2HB   ARG  21           HB1      ARG  21  57.684  10.688   1.841
  167   1HG   ARG  21           HG2      ARG  21  58.059  11.561   4.096
  168   2HG   ARG  21           HG1      ARG  21  59.235  12.720   3.473
  169   1HD   ARG  21           HD2      ARG  21  57.315  13.560   1.943
  170   2HD   ARG  21           HD1      ARG  21  56.243  12.681   3.051
  171    HE   ARG  21           HE       ARG  21  57.923  14.096   4.741
  172   1HH1  ARG  21          HH21      ARG  21  55.739  14.801   2.161
  173   2HH1  ARG  21          HH22      ARG  21  55.427  16.418   2.695
  174   1HH2  ARG  21          HH11      ARG  21  57.575  16.226   5.407
  175   2HH2  ARG  21          HH12      ARG  21  56.465  17.224   4.530
  176    H    LYS  22           HN       LYS  22  60.063  10.739   4.778
  177    HA   LYS  22           HA       LYS  22  62.406  12.526   4.490
  178   1HB   LYS  22           HB2      LYS  22  60.561  13.218   5.955
  179   2HB   LYS  22           HB1      LYS  22  60.634  11.679   6.815
  180   1HG   LYS  22           HG2      LYS  22  63.208  12.479   7.079
  181   2HG   LYS  22           HG1      LYS  22  62.406  14.049   7.027
  182   1HD   LYS  22           HD2      LYS  22  62.600  13.154   9.348
  183   2HD   LYS  22           HD1      LYS  22  60.924  13.396   8.852
  184   1HE   LYS  22           HE2      LYS  22  60.463  11.184   9.056
  185   2HE   LYS  22           HE1      LYS  22  61.911  10.734   8.135
  186   1HZ   LYS  22           HZ2      LYS  22  63.241  11.307  10.119
  187   2HZ   LYS  22           HZ1      LYS  22  61.803  11.536  10.994
  188   3HZ   LYS  22           HZ3      LYS  22  62.189  10.000  10.389
  189    H    ALA  23           HN       ALA  23  61.374   9.341   5.445
  190    HA   ALA  23           HA       ALA  23  63.849   8.613   6.840
  191   1HB   ALA  23           HB2      ALA  23  61.514   7.636   7.148
  192   2HB   ALA  23           HB1      ALA  23  61.732   6.835   5.593
  193   3HB   ALA  23           HB3      ALA  23  62.796   6.443   6.944
  194    H    TYR  24           HN       TYR  24  62.392   7.589   3.709
  195    HA   TYR  24           HA       TYR  24  64.571   6.169   2.651
  196   1HB   TYR  24           HB2      TYR  24  62.484   6.235   1.479
  197   2HB   TYR  24           HB1      TYR  24  62.494   7.998   1.426
  198    HD1  TYR  24           HD1      TYR  24  65.346   5.707   0.729
  199    HD2  TYR  24           HD2      TYR  24  62.459   8.436  -0.907
  200    HE1  TYR  24           HE1      TYR  24  66.536   5.666  -1.446
  201    HE2  TYR  24           HE2      TYR  24  63.648   8.392  -3.081
  202    HH   TYR  24           HH       TYR  24  66.759   6.822  -3.438
  203    H    LYS  25           HN       LYS  25  63.889   9.668   2.468
  204    HA   LYS  25           HA       LYS  25  66.347  10.340   1.090
  205   1HB   LYS  25           HB2      LYS  25  63.923  11.531   1.701
  206   2HB   LYS  25           HB1      LYS  25  65.055  12.411   2.728
  207   1HG   LYS  25           HG2      LYS  25  66.281  13.222   0.918
  208   2HG   LYS  25           HG1      LYS  25  65.767  11.912  -0.146
  209   1HD   LYS  25           HD2      LYS  25  64.567  13.829  -0.893
  210   2HD   LYS  25           HD1      LYS  25  63.405  12.891   0.046
  211   1HE   LYS  25           HE2      LYS  25  63.782  14.319   2.007
  212   2HE   LYS  25           HE1      LYS  25  65.012  15.239   1.118
  213   1HZ   LYS  25           HZ3      LYS  25  63.014  15.278  -0.630
  214   2HZ   LYS  25           HZ2      LYS  25  62.118  15.242   0.813
  215   3HZ   LYS  25           HZ1      LYS  25  63.239  16.488   0.537
  216    H    ARG  26           HN       ARG  26  65.278  10.628   4.523
  217    HA   ARG  26           HA       ARG  26  67.702  11.780   5.509
  218   1HB   ARG  26           HB2      ARG  26  65.708  11.712   6.852
  219   2HB   ARG  26           HB1      ARG  26  65.621   9.954   6.737
  220   1HG   ARG  26           HG2      ARG  26  66.897   9.765   8.578
  221   2HG   ARG  26           HG1      ARG  26  68.197  10.643   7.768
  222   1HD   ARG  26           HD2      ARG  26  66.836  12.783   8.376
  223   2HD   ARG  26           HD1      ARG  26  66.022  11.733   9.553
  224    HE   ARG  26           HE       ARG  26  68.998  12.078   9.469
  225   1HH1  ARG  26          HH21      ARG  26  68.920  10.034  11.211
  226   2HH1  ARG  26          HH22      ARG  26  68.337  10.631  12.729
  227   1HH2  ARG  26          HH11      ARG  26  66.997  13.527  11.377
  228   2HH2  ARG  26          HH12      ARG  26  67.248  12.607  12.822
  229    H    LEU  27           HN       LEU  27  66.840   8.389   4.888
  230    HA   LEU  27           HA       LEU  27  69.426   7.469   5.994
  231   1HB   LEU  27           HB2      LEU  27  66.809   6.429   5.606
  232   2HB   LEU  27           HB1      LEU  27  67.907   5.437   4.645
  233    HG   LEU  27           HG       LEU  27  67.627   4.668   7.044
  234   1HD1  LEU  27          HD11      LEU  27  69.881   4.777   5.413
  235   2HD1  LEU  27          HD13      LEU  27  70.467   5.367   6.969
  236   3HD1  LEU  27          HD12      LEU  27  69.702   3.781   6.858
  237   1HD2  LEU  27          HD21      LEU  27  67.993   7.386   7.572
  238   2HD2  LEU  27          HD23      LEU  27  68.005   6.090   8.768
  239   3HD2  LEU  27          HD22      LEU  27  69.521   6.650   8.059
  240    H    ALA  28           HN       ALA  28  67.899   8.007   2.848
  241    HA   ALA  28           HA       ALA  28  69.835   6.521   1.299
  242   1HB   ALA  28           HB3      ALA  28  68.008   8.851   0.677
  243   2HB   ALA  28           HB2      ALA  28  68.919   7.958  -0.541
  244   3HB   ALA  28           HB1      ALA  28  67.671   7.142   0.401
  245    H    MET  29           HN       MET  29  69.741   9.688   2.761
  246    HA   MET  29           HA       MET  29  71.547  11.233   1.349
  247   1HB   MET  29           HB2      MET  29  70.410  11.690   3.529
  248   2HB   MET  29           HB1      MET  29  71.604  10.653   4.310
  249   1HG   MET  29           HG2      MET  29  73.154  12.286   4.300
  250   2HG   MET  29           HG1      MET  29  72.883  12.606   2.588
  251   1HE   MET  29           HE3      MET  29  73.671  14.890   3.399
  252   2HE   MET  29           HE2      MET  29  72.666  16.102   4.192
  253   3HE   MET  29           HE1      MET  29  73.433  14.838   5.151
  254    H    LYS  30           HN       LYS  30  72.263   8.685   3.677
  255    HA   LYS  30           HA       LYS  30  75.053   8.626   3.710
  256   1HB   LYS  30           HB2      LYS  30  72.749   6.918   4.192
  257   2HB   LYS  30           HB1      LYS  30  74.119   5.979   3.590
  258   1HG   LYS  30           HG2      LYS  30  75.323   6.284   5.485
  259   2HG   LYS  30           HG1      LYS  30  74.865   7.983   5.607
  260   1HD   LYS  30           HD2      LYS  30  73.727   7.162   7.444
  261   2HD   LYS  30           HD1      LYS  30  72.492   6.916   6.209
  262   1HE   LYS  30           HE2      LYS  30  72.510   4.718   6.772
  263   2HE   LYS  30           HE1      LYS  30  74.141   4.630   6.074
  264   1HZ   LYS  30           HZ3      LYS  30  73.601   5.620   8.818
  265   2HZ   LYS  30           HZ2      LYS  30  73.995   4.000   8.482
  266   3HZ   LYS  30           HZ1      LYS  30  75.104   5.239   8.132
  267    H    TYR  31           HN       TYR  31  72.852   7.899   1.142
  268    HA   TYR  31           HA       TYR  31  75.156   6.920  -0.522
  269   1HB   TYR  31           HB2      TYR  31  72.290   5.944  -0.590
  270   2HB   TYR  31           HB1      TYR  31  73.671   5.241  -1.440
  271    HD1  TYR  31           HD1      TYR  31  75.805   5.140   0.443
  272    HD2  TYR  31           HD2      TYR  31  71.612   4.531   1.145
  273    HE1  TYR  31           HE1      TYR  31  76.341   3.748   2.426
  274    HE2  TYR  31           HE2      TYR  31  72.147   3.141   3.129
  275    HH   TYR  31           HH       TYR  31  75.048   1.802   3.703
  276    H    HIS  32           HN       HIS  32  72.540   9.125  -0.245
  277    HA   HIS  32           HA       HIS  32  71.489   9.607  -2.730
  278   1HB   HIS  32           HB2      HIS  32  72.247  11.104  -0.360
  279   2HB   HIS  32           HB1      HIS  32  72.329  12.117  -1.805
  280    HD1  HIS  32           HD1      HIS  32  69.883   9.273  -1.461
  281    HD2  HIS  32           HD2      HIS  32  69.867  13.440  -1.334
  282    HE1  HIS  32           HE1      HIS  32  67.451   9.979  -1.462
  283    HA   PRO  33           HA       PRO  33  74.373  10.809  -5.804
  284   1HB   PRO  33           HB2      PRO  33  73.570  13.356  -6.508
  285   2HB   PRO  33           HB1      PRO  33  72.711  11.878  -6.985
  286   1HG   PRO  33           HG2      PRO  33  72.176  13.701  -4.672
  287   2HG   PRO  33           HG1      PRO  33  71.041  13.047  -5.873
  288   1HD   PRO  33           HD2      PRO  33  71.212  11.906  -3.503
  289   2HD   PRO  33           HD1      PRO  33  71.128  10.889  -4.961
  290    H    ASP  34           HN       ASP  34  75.371  13.515  -6.330
  291    HA   ASP  34           HA       ASP  34  77.064  14.992  -5.546
  292   1HB   ASP  34           HB2      ASP  34  75.331  14.687  -3.449
  293   2HB   ASP  34           HB1      ASP  34  76.802  14.013  -2.748
  294    H    ARG  35           HN       ARG  35  77.124  12.178  -3.357
  295    HA   ARG  35           HA       ARG  35  79.967  11.664  -3.937
  296   1HB   ARG  35           HB2      ARG  35  79.675  10.129  -2.091
  297   2HB   ARG  35           HB1      ARG  35  78.763  11.576  -1.671
  298   1HG   ARG  35           HG2      ARG  35  76.717  10.462  -2.662
  299   2HG   ARG  35           HG1      ARG  35  77.667   8.982  -2.808
  300   1HD   ARG  35           HD2      ARG  35  76.725   8.633  -0.708
  301   2HD   ARG  35           HD1      ARG  35  78.181   9.525  -0.221
  302    HE   ARG  35           HE       ARG  35  75.764  11.114  -0.890
  303   1HH1  ARG  35          HH21      ARG  35  76.877   9.303   1.699
  304   2HH1  ARG  35          HH22      ARG  35  76.890  10.607   2.838
  305   1HH2  ARG  35          HH11      ARG  35  76.250  13.047   0.459
  306   2HH2  ARG  35          HH12      ARG  35  76.532  12.725   2.137
  307    H    ASN  36           HN       ASN  36  76.750  10.489  -4.570
  308    HA   ASN  36           HA       ASN  36  77.599   7.994  -5.890
  309   1HB   ASN  36           HB2      ASN  36  75.131   9.372  -4.934
  310   2HB   ASN  36           HB1      ASN  36  74.940   8.264  -6.291
  311   1HD2  ASN  36          HD22      ASN  36  74.714   5.648  -3.952
  312   2HD2  ASN  36          HD21      ASN  36  73.941   6.526  -5.181
  313    H    GLN  37           HN       GLN  37  76.682  11.253  -6.733
  314    HA   GLN  37           HA       GLN  37  76.663  12.323  -8.826
  315   1HB   GLN  37           HB2      GLN  37  77.516   9.672  -9.988
  316   2HB   GLN  37           HB1      GLN  37  77.844  11.278 -10.625
  317   1HG   GLN  37           HG2      GLN  37  78.847  10.600  -7.882
  318   2HG   GLN  37           HG1      GLN  37  79.708   9.968  -9.283
  319   1HE2  GLN  37          HE22      GLN  37  81.434  13.093  -9.049
  320   2HE2  GLN  37          HE21      GLN  37  81.518  11.452  -8.623
  321    H    GLY  38           HN       GLY  38  74.289  11.890  -8.050
  322   1HA   GLY  38           HA2      GLY  38  72.104  11.650  -8.905
  323   2HA   GLY  38           HA1      GLY  38  72.805  11.060 -10.415
  324    H    ASP  39           HN       ASP  39  74.238   8.876  -9.691
  325    HA   ASP  39           HA       ASP  39  72.573   7.160  -7.939
  326   1HB   ASP  39           HB2      ASP  39  72.898   6.752 -10.920
  327   2HB   ASP  39           HB1      ASP  39  72.174   5.573  -9.825
  328    H    LYS  40           HN       LYS  40  74.145   5.331 -10.285
  329    HA   LYS  40           HA       LYS  40  76.118   4.073 -10.266
  330   1HB   LYS  40           HB2      LYS  40  76.720   6.699  -9.142
  331   2HB   LYS  40           HB1      LYS  40  77.881   5.453  -8.697
  332   1HG   LYS  40           HG2      LYS  40  78.578   5.152 -10.855
  333   2HG   LYS  40           HG1      LYS  40  76.989   5.517 -11.524
  334   1HD   LYS  40           HD2      LYS  40  77.932   7.881 -10.255
  335   2HD   LYS  40           HD1      LYS  40  79.244   7.267 -11.263
  336   1HE   LYS  40           HE2      LYS  40  77.475   6.996 -13.119
  337   2HE   LYS  40           HE1      LYS  40  76.441   8.027 -12.111
  338   1HZ   LYS  40           HZ3      LYS  40  79.241   8.773 -12.672
  339   2HZ   LYS  40           HZ2      LYS  40  78.006   9.167 -13.770
  340   3HZ   LYS  40           HZ1      LYS  40  77.956   9.766 -12.182
  341    H    GLU  41           HN       GLU  41  76.234   5.533  -7.041
  342    HA   GLU  41           HA       GLU  41  76.582   2.855  -5.832
  343   1HB   GLU  41           HB2      GLU  41  77.110   5.656  -5.211
  344   2HB   GLU  41           HB1      GLU  41  76.387   4.816  -3.839
  345   1HG   GLU  41           HG2      GLU  41  78.280   3.655  -3.448
  346   2HG   GLU  41           HG1      GLU  41  78.413   3.181  -5.143
  347    H    ALA  42           HN       ALA  42  74.057   5.065  -6.511
  348    HA   ALA  42           HA       ALA  42  72.276   4.110  -4.357
  349   1HB   ALA  42           HB3      ALA  42  72.445   6.276  -6.318
  350   2HB   ALA  42           HB2      ALA  42  70.826   5.585  -6.237
  351   3HB   ALA  42           HB1      ALA  42  71.582   6.233  -4.782
  352    H    GLU  43           HN       GLU  43  73.154   3.318  -7.597
  353    HA   GLU  43           HA       GLU  43  70.820   2.192  -8.689
  354   1HB   GLU  43           HB2      GLU  43  73.098   2.472  -9.722
  355   2HB   GLU  43           HB1      GLU  43  73.645   1.086  -8.777
  356   1HG   GLU  43           HG2      GLU  43  71.650  -0.176  -9.834
  357   2HG   GLU  43           HG1      GLU  43  71.604   1.151 -10.996
  358    H    ALA  44           HN       ALA  44  73.214   0.658  -6.498
  359    HA   ALA  44           HA       ALA  44  71.495  -1.745  -6.231
  360   1HB   ALA  44           HB2      ALA  44  74.171  -1.345  -6.247
  361   2HB   ALA  44           HB1      ALA  44  73.886  -1.239  -4.510
  362   3HB   ALA  44           HB3      ALA  44  73.428  -2.697  -5.391
  363    H    LYS  45           HN       LYS  45  71.957   1.300  -4.640
  364    HA   LYS  45           HA       LYS  45  70.883   0.287  -2.084
  365   1HB   LYS  45           HB2      LYS  45  72.435   2.501  -2.966
  366   2HB   LYS  45           HB1      LYS  45  70.948   3.148  -2.254
  367   1HG   LYS  45           HG2      LYS  45  71.657   2.617  -0.191
  368   2HG   LYS  45           HG1      LYS  45  71.888   0.935  -0.675
  369   1HD   LYS  45           HD2      LYS  45  73.921   2.748  -1.761
  370   2HD   LYS  45           HD1      LYS  45  73.922   2.666   0.001
  371   1HE   LYS  45           HE2      LYS  45  74.037   0.193  -0.109
  372   2HE   LYS  45           HE1      LYS  45  74.053   0.282  -1.881
  373   1HZ   LYS  45           HZ2      LYS  45  75.939   2.079  -1.197
  374   2HZ   LYS  45           HZ1      LYS  45  76.157   0.897   0.005
  375   3HZ   LYS  45           HZ3      LYS  45  76.264   0.469  -1.633
  376    H    PHE  46           HN       PHE  46  69.788   1.805  -5.027
  377    HA   PHE  46           HA       PHE  46  67.242   2.763  -4.020
  378   1HB   PHE  46           HB2      PHE  46  68.530   2.120  -6.663
  379   2HB   PHE  46           HB1      PHE  46  66.777   2.289  -6.631
  380    HD1  PHE  46           HD2      PHE  46  68.592   4.179  -4.128
  381    HD2  PHE  46           HD1      PHE  46  67.122   4.282  -8.163
  382    HE1  PHE  46           HE2      PHE  46  68.827   6.647  -4.152
  383    HE2  PHE  46           HE1      PHE  46  67.358   6.751  -8.186
  384    HZ   PHE  46           HZ       PHE  46  68.211   7.933  -6.181
  385    H    LYS  47           HN       LYS  47  68.546  -0.286  -5.148
  386    HA   LYS  47           HA       LYS  47  66.006  -1.644  -5.166
  387   1HB   LYS  47           HB2      LYS  47  67.384  -3.548  -5.772
  388   2HB   LYS  47           HB1      LYS  47  68.126  -2.157  -6.551
  389   1HG   LYS  47           HG2      LYS  47  69.991  -2.318  -5.315
  390   2HG   LYS  47           HG1      LYS  47  69.109  -2.676  -3.830
  391   1HD   LYS  47           HD2      LYS  47  69.872  -4.788  -4.113
  392   2HD   LYS  47           HD1      LYS  47  68.616  -4.909  -5.346
  393   1HE   LYS  47           HE2      LYS  47  70.195  -4.253  -7.089
  394   2HE   LYS  47           HE1      LYS  47  71.466  -3.998  -5.876
  395   1HZ   LYS  47           HZ2      LYS  47  70.608  -6.444  -5.229
  396   2HZ   LYS  47           HZ1      LYS  47  70.379  -6.482  -6.912
  397   3HZ   LYS  47           HZ3      LYS  47  71.915  -6.157  -6.274
  398    H    GLU  48           HN       GLU  48  68.130  -0.477  -2.841
  399    HA   GLU  48           HA       GLU  48  67.515  -2.558  -0.882
  400   1HB   GLU  48           HB2      GLU  48  69.258  -0.103  -0.945
  401   2HB   GLU  48           HB1      GLU  48  68.968  -0.977   0.558
  402   1HG   GLU  48           HG2      GLU  48  69.639  -2.815  -1.581
  403   2HG   GLU  48           HG1      GLU  48  70.895  -1.590  -1.394
  404    H    ILE  49           HN       ILE  49  66.848   0.856  -1.530
  405    HA   ILE  49           HA       ILE  49  64.731   0.727   0.585
  406    HB   ILE  49           HB       ILE  49  66.071   3.102  -0.720
  407   1HG1  ILE  49          HG12      ILE  49  66.880   3.039   1.916
  408   2HG1  ILE  49          HG11      ILE  49  66.940   1.335   1.445
  409   1HG2  ILE  49          HG22      ILE  49  63.889   2.706   1.196
  410   2HG2  ILE  49          HG21      ILE  49  65.096   3.886   1.705
  411   3HG2  ILE  49          HG23      ILE  49  64.258   4.090   0.169
  412   1HD1  ILE  49          HD11      ILE  49  67.917   2.916  -0.724
  413   2HD1  ILE  49          HD13      ILE  49  68.764   3.397   0.745
  414   3HD1  ILE  49          HD12      ILE  49  68.780   1.709   0.229
  415    H    LYS  50           HN       LYS  50  65.551   1.830  -2.707
  416    HA   LYS  50           HA       LYS  50  62.888   2.818  -3.164
  417   1HB   LYS  50           HB2      LYS  50  65.370   3.001  -4.374
  418   2HB   LYS  50           HB1      LYS  50  64.491   1.975  -5.506
  419   1HG   LYS  50           HG2      LYS  50  62.847   3.610  -5.906
  420   2HG   LYS  50           HG1      LYS  50  63.241   4.495  -4.430
  421   1HD   LYS  50           HD2      LYS  50  65.456   5.080  -5.406
  422   2HD   LYS  50           HD1      LYS  50  64.985   4.273  -6.903
  423   1HE   LYS  50           HE2      LYS  50  63.151   6.368  -5.780
  424   2HE   LYS  50           HE1      LYS  50  64.612   6.884  -6.644
  425   1HZ   LYS  50           HZ2      LYS  50  63.987   5.278  -8.418
  426   2HZ   LYS  50           HZ1      LYS  50  62.499   5.047  -7.632
  427   3HZ   LYS  50           HZ3      LYS  50  62.899   6.573  -8.254
  428    H    GLU  51           HN       GLU  51  64.411  -0.321  -3.234
  429    HA   GLU  51           HA       GLU  51  62.241  -1.488  -4.907
  430   1HB   GLU  51           HB2      GLU  51  64.203  -2.588  -5.373
  431   2HB   GLU  51           HB1      GLU  51  64.896  -2.111  -3.841
  432   1HG   GLU  51           HG2      GLU  51  64.666  -4.524  -3.876
  433   2HG   GLU  51           HG1      GLU  51  63.547  -3.846  -2.694
  434    H    ALA  52           HN       ALA  52  63.276  -1.057  -1.613
  435    HA   ALA  52           HA       ALA  52  61.267  -2.882  -0.441
  436   1HB   ALA  52           HB3      ALA  52  63.502  -1.074   0.474
  437   2HB   ALA  52           HB2      ALA  52  62.349  -1.703   1.650
  438   3HB   ALA  52           HB1      ALA  52  63.334  -2.815   0.699
  439    H    TYR  53           HN       TYR  53  62.078   0.580  -0.242
  440    HA   TYR  53           HA       TYR  53  59.557   1.336   0.979
  441   1HB   TYR  53           HB2      TYR  53  60.901   3.055   1.533
  442   2HB   TYR  53           HB1      TYR  53  62.176   2.311   0.595
  443    HD1  TYR  53           HD2      TYR  53  59.171   4.533   0.144
  444    HD2  TYR  53           HD1      TYR  53  63.128   3.506  -1.137
  445    HE1  TYR  53           HE2      TYR  53  59.208   6.489  -1.378
  446    HE2  TYR  53           HE1      TYR  53  63.177   5.446  -2.645
  447    HH   TYR  53           HH       TYR  53  62.044   7.191  -3.425
  448    H    GLU  54           HN       GLU  54  60.113   0.299  -2.077
  449    HA   GLU  54           HA       GLU  54  58.719   2.312  -3.648
  450   1HB   GLU  54           HB2      GLU  54  59.832   1.017  -5.143
  451   2HB   GLU  54           HB1      GLU  54  60.047  -0.265  -3.957
  452   1HG   GLU  54           HG2      GLU  54  57.947  -1.262  -4.506
  453   2HG   GLU  54           HG1      GLU  54  57.432   0.155  -5.422
  454    H    VAL  55           HN       VAL  55  57.777  -0.423  -1.652
  455    HA   VAL  55           HA       VAL  55  54.989  -0.204  -2.671
  456    HB   VAL  55           HB       VAL  55  55.030  -2.440  -2.469
  457   1HG1  VAL  55          HG12      VAL  55  57.574  -2.074  -2.611
  458   2HG1  VAL  55          HG11      VAL  55  57.573  -2.499  -0.898
  459   3HG1  VAL  55          HG13      VAL  55  56.975  -3.646  -2.096
  460   1HG2  VAL  55          HG21      VAL  55  54.233  -1.812  -0.060
  461   2HG2  VAL  55          HG23      VAL  55  54.695  -3.472  -0.401
  462   3HG2  VAL  55          HG22      VAL  55  55.821  -2.401   0.428
  463    H    LEU  56           HN       LEU  56  56.938   0.868  -0.151
  464    HA   LEU  56           HA       LEU  56  55.124   0.941   2.061
  465   1HB   LEU  56           HB2      LEU  56  57.631   2.120   1.094
  466   2HB   LEU  56           HB1      LEU  56  56.740   3.183   2.182
  467    HG   LEU  56           HG       LEU  56  56.885   1.683   3.980
  468   1HD1  LEU  56          HD12      LEU  56  56.941  -0.345   1.818
  469   2HD1  LEU  56          HD11      LEU  56  57.887  -0.745   3.253
  470   3HD1  LEU  56          HD13      LEU  56  56.162  -0.407   3.400
  471   1HD2  LEU  56          HD22      LEU  56  59.196   2.425   2.734
  472   2HD2  LEU  56          HD21      LEU  56  59.146   1.577   4.279
  473   3HD2  LEU  56          HD23      LEU  56  59.398   0.674   2.785
  474    H    THR  57           HN       THR  57  55.024   2.502  -0.970
  475    HA   THR  57           HA       THR  57  53.405   4.794   0.049
  476    HB   THR  57           HB       THR  57  54.500   5.912  -1.599
  477    HG1  THR  57           HG1      THR  57  54.155   5.002  -3.830
  478   1HG2  THR  57          HG22      THR  57  56.282   4.144  -1.284
  479   2HG2  THR  57          HG21      THR  57  55.580   3.285  -2.655
  480   3HG2  THR  57          HG23      THR  57  56.272   4.892  -2.881
  481    H    ASP  58           HN       ASP  58  53.276   1.912  -1.962
  482    HA   ASP  58           HA       ASP  58  50.474   2.444  -2.761
  483   1HB   ASP  58           HB2      ASP  58  52.413   1.530  -4.206
  484   2HB   ASP  58           HB1      ASP  58  52.180   0.010  -3.331
  485    H    SER  59           HN       SER  59  48.925   0.530  -2.496
  486    HA   SER  59           HA       SER  59  49.298  -0.693   0.219
  487   1HB   SER  59           HB2      SER  59  46.658  -0.858  -0.225
  488   2HB   SER  59           HB1      SER  59  47.399   0.614   0.394
  489    HG   SER  59           HG       SER  59  46.006   0.905  -1.464
  490    H    GLN  60           HN       GLN  60  48.496  -1.301  -3.154
  491    HA   GLN  60           HA       GLN  60  47.562  -4.007  -2.906
  492   1HB   GLN  60           HB2      GLN  60  48.076  -4.039  -5.327
  493   2HB   GLN  60           HB1      GLN  60  47.297  -2.520  -4.877
  494   1HG   GLN  60           HG2      GLN  60  49.800  -1.735  -4.485
  495   2HG   GLN  60           HG1      GLN  60  50.153  -3.035  -5.623
  496   1HE2  GLN  60          HE22      GLN  60  48.136   0.295  -6.923
  497   2HE2  GLN  60          HE21      GLN  60  48.271  -0.009  -5.258
  498    H    LYS  61           HN       LYS  61  50.794  -2.579  -3.167
  499    HA   LYS  61           HA       LYS  61  52.150  -5.139  -3.499
  500   1HB   LYS  61           HB2      LYS  61  53.212  -2.430  -2.659
  501   2HB   LYS  61           HB1      LYS  61  54.112  -3.727  -3.444
  502   1HG   LYS  61           HG2      LYS  61  52.971  -3.408  -5.506
  503   2HG   LYS  61           HG1      LYS  61  51.725  -2.412  -4.753
  504   1HD   LYS  61           HD2      LYS  61  52.970  -0.540  -4.976
  505   2HD   LYS  61           HD1      LYS  61  54.386  -1.323  -4.272
  506   1HE   LYS  61           HE2      LYS  61  54.966  -2.320  -6.424
  507   2HE   LYS  61           HE1      LYS  61  53.482  -1.679  -7.153
  508   1HZ   LYS  61           HZ1      LYS  61  54.805   0.399  -5.793
  509   2HZ   LYS  61           HZ3      LYS  61  55.923  -0.359  -6.817
  510   3HZ   LYS  61           HZ2      LYS  61  54.480   0.266  -7.455
  511    H    ARG  62           HN       ARG  62  51.418  -2.857  -0.879
  512    HA   ARG  62           HA       ARG  62  53.015  -3.799   1.201
  513   1HB   ARG  62           HB2      ARG  62  50.104  -2.951   1.155
  514   2HB   ARG  62           HB1      ARG  62  51.051  -3.109   2.635
  515   1HG   ARG  62           HG2      ARG  62  51.906  -1.371   0.310
  516   2HG   ARG  62           HG1      ARG  62  50.960  -0.762   1.669
  517   1HD   ARG  62           HD2      ARG  62  53.447  -2.308   2.300
  518   2HD   ARG  62           HD1      ARG  62  53.626  -0.644   1.709
  519    HE   ARG  62           HE       ARG  62  52.350   0.136   3.615
  520   1HH1  ARG  62          HH21      ARG  62  50.366  -1.856   4.165
  521   2HH1  ARG  62          HH22      ARG  62  50.997  -2.741   5.513
  522   1HH2  ARG  62          HH11      ARG  62  54.247  -1.619   5.070
  523   2HH2  ARG  62          HH12      ARG  62  53.193  -2.606   6.027
  524    H    ALA  63           HN       ALA  63  50.371  -5.374  -0.428
  525    HA   ALA  63           HA       ALA  63  50.106  -7.513   1.594
  526   1HB   ALA  63           HB3      ALA  63  48.843  -6.707  -1.020
  527   2HB   ALA  63           HB2      ALA  63  48.584  -8.339  -0.402
  528   3HB   ALA  63           HB1      ALA  63  48.076  -6.945   0.550
  529    H    ALA  64           HN       ALA  64  51.644  -6.871  -1.486
  530    HA   ALA  64           HA       ALA  64  52.468  -9.674  -1.927
  531   1HB   ALA  64           HB1      ALA  64  51.815  -7.841  -3.651
  532   2HB   ALA  64           HB3      ALA  64  53.417  -7.174  -3.339
  533   3HB   ALA  64           HB2      ALA  64  53.254  -8.801  -4.000
  534    H    TYR  65           HN       TYR  65  54.055  -6.537  -1.475
  535    HA   TYR  65           HA       TYR  65  56.719  -7.417  -1.166
  536   1HB   TYR  65           HB2      TYR  65  56.906  -5.186  -1.122
  537   2HB   TYR  65           HB1      TYR  65  55.154  -5.071  -1.104
  538    HD1  TYR  65           HD2      TYR  65  54.060  -5.381   1.283
  539    HD2  TYR  65           HD1      TYR  65  58.143  -4.234   0.622
  540    HE1  TYR  65           HE2      TYR  65  54.153  -4.419   3.562
  541    HE2  TYR  65           HE1      TYR  65  58.237  -3.265   2.905
  542    HH   TYR  65           HH       TYR  65  55.415  -3.433   5.086
  543    H    ASP  66           HN       ASP  66  54.108  -7.241   1.228
  544    HA   ASP  66           HA       ASP  66  55.853  -7.471   3.483
  545   1HB   ASP  66           HB2      ASP  66  53.790  -7.773   4.710
  546   2HB   ASP  66           HB1      ASP  66  53.459  -6.643   3.397
  547    H    GLN  67           HN       GLN  67  54.658  -9.809   1.210
  548    HA   GLN  67           HA       GLN  67  55.605 -12.027   2.999
  549   1HB   GLN  67           HB2      GLN  67  53.389 -11.796   0.957
  550   2HB   GLN  67           HB1      GLN  67  53.967 -13.363   1.525
  551   1HG   GLN  67           HG2      GLN  67  53.602 -11.778   3.838
  552   2HG   GLN  67           HG1      GLN  67  52.173 -11.523   2.835
  553   1HE2  GLN  67          HE22      GLN  67  52.109 -14.766   4.971
  554   2HE2  GLN  67          HE21      GLN  67  52.770 -13.257   5.377
  555    H    TYR  68           HN       TYR  68  55.914 -10.474  -0.111
  556    HA   TYR  68           HA       TYR  68  57.387 -12.767  -1.276
  557   1HB   TYR  68           HB2      TYR  68  56.432 -10.059  -2.210
  558   2HB   TYR  68           HB1      TYR  68  57.533 -11.028  -3.196
  559    HD1  TYR  68           HD1      TYR  68  56.581 -13.777  -2.597
  560    HD2  TYR  68           HD2      TYR  68  54.380 -10.168  -3.365
  561    HE1  TYR  68           HE1      TYR  68  54.663 -15.120  -3.410
  562    HE2  TYR  68           HE2      TYR  68  52.462 -11.513  -4.181
  563    HH   TYR  68           HH       TYR  68  51.604 -13.574  -4.344
  564    H    GLY  69           HN       GLY  69  59.614 -12.677  -1.780
  565   1HA   GLY  69           HA2      GLY  69  61.123 -10.467  -0.441
  566   2HA   GLY  69           HA1      GLY  69  61.735 -12.116  -0.605
  567    H    HIS  70           HN       HIS  70  62.491  -9.265  -1.721
  568    HA   HIS  70           HA       HIS  70  63.516  -8.476  -3.694
  569   1HB   HIS  70           HB2      HIS  70  63.682 -11.486  -3.939
  570   2HB   HIS  70           HB1      HIS  70  64.434 -10.408  -5.119
  571    HD1  HIS  70           HD1      HIS  70  64.607  -8.684  -2.012
  572    HD2  HIS  70           HD2      HIS  70  66.785 -11.817  -3.693
  573    HE1  HIS  70           HE1      HIS  70  66.801  -8.790  -0.749
  574    H    ALA  71           HN       ALA  71  60.928  -8.047  -3.917
  575    HA   ALA  71           HA       ALA  71  59.048  -8.012  -5.365
  576   1HB   ALA  71           HB1      ALA  71  61.570  -7.520  -6.693
  577   2HB   ALA  71           HB3      ALA  71  60.430  -8.252  -7.823
  578   3HB   ALA  71           HB2      ALA  71  60.005  -6.760  -6.985
  579    H    ALA  72           HN       ALA  72  60.128 -10.708  -4.497
  580    HA   ALA  72           HA       ALA  72  60.280 -12.774  -6.255
  581   1HB   ALA  72           HB1      ALA  72  60.001 -12.896  -3.777
  582   2HB   ALA  72           HB3      ALA  72  58.273 -12.607  -3.985
  583   3HB   ALA  72           HB2      ALA  72  59.003 -14.080  -4.621
  584    H    PHE  73           HN       PHE  73  57.208 -11.067  -5.550
  585    HA   PHE  73           HA       PHE  73  56.104 -12.271  -8.068
  586   1HB   PHE  73           HB2      PHE  73  55.285 -12.534  -5.343
  587   2HB   PHE  73           HB1      PHE  73  54.046 -11.604  -6.189
  588    HD1  PHE  73           HD1      PHE  73  56.297 -14.508  -6.992
  589    HD2  PHE  73           HD2      PHE  73  52.322 -12.881  -7.077
  590    HE1  PHE  73           HE1      PHE  73  55.471 -16.582  -8.072
  591    HE2  PHE  73           HE2      PHE  73  51.497 -14.956  -8.157
  592    HZ   PHE  73           HZ       PHE  73  53.071 -16.806  -8.654
  593    H    GLU  74           HN       GLU  74  55.167 -10.798  -9.461
  594    HA   GLU  74           HA       GLU  74  54.022  -8.273  -8.640
  595   1HB   GLU  74           HB2      GLU  74  55.919  -6.930  -9.760
  596   2HB   GLU  74           HB1      GLU  74  56.275  -7.627  -8.179
  597   1HG   GLU  74           HG2      GLU  74  57.455  -9.479  -9.179
  598   2HG   GLU  74           HG1      GLU  74  56.938  -8.999 -10.796
  599    H    GLN  75           HN       GLN  75  52.422  -8.238 -10.191
  600    HA   GLN  75           HA       GLN  75  53.215  -8.823 -13.028
  601   1HB   GLN  75           HB2      GLN  75  51.012  -9.816 -13.270
  602   2HB   GLN  75           HB1      GLN  75  51.769 -10.506 -11.833
  603   1HG   GLN  75           HG2      GLN  75  50.359  -8.073 -11.150
  604   2HG   GLN  75           HG1      GLN  75  49.276  -9.196 -11.971
  605   1HE2  GLN  75          HE22      GLN  75  50.217  -9.907  -8.157
  606   2HE2  GLN  75          HE21      GLN  75  50.473  -8.418  -8.931
  607    H    GLY  76           HN       GLY  76  53.157  -6.184 -11.611
  608   1HA   GLY  76           HA2      GLY  76  51.281  -4.836 -13.485
  609   2HA   GLY  76           HA1      GLY  76  51.202  -4.420 -11.772
  610    H    GLY  77           HN       GLY  77  53.947  -4.471 -11.146
  611   1HA   GLY  77           HA2      GLY  77  55.110  -2.424 -12.981
  612   2HA   GLY  77           HA1      GLY  77  55.052  -2.122 -11.243
   
  No H/Q in entry =         612
  Start of MODEL   16
    1   1H    ALA   1           HT2      ALA   1  71.251 -12.143   7.560
    2   2H    ALA   1           HT1      ALA   1  72.634 -11.398   8.209
    3   3H    ALA   1           HT3      ALA   1  71.523 -12.160   9.238
    4    HA   ALA   1           HA       ALA   1  70.927  -9.961   9.515
    5   1HB   ALA   1           HB3      ALA   1  72.626  -9.275   7.835
    6   2HB   ALA   1           HB2      ALA   1  71.499  -9.700   6.545
    7   3HB   ALA   1           HB1      ALA   1  71.123  -8.372   7.643
    8    H    LYS   2           HN       LYS   2  68.980 -11.494   9.748
    9    HA   LYS   2           HA       LYS   2  67.098 -11.584   7.489
   10   1HB   LYS   2           HB2      LYS   2  67.493 -12.772  10.140
   11   2HB   LYS   2           HB1      LYS   2  65.802 -12.394   9.812
   12   1HG   LYS   2           HG2      LYS   2  65.851 -13.673   7.753
   13   2HG   LYS   2           HG1      LYS   2  67.590 -13.929   7.905
   14   1HD   LYS   2           HD2      LYS   2  66.245 -14.769  10.322
   15   2HD   LYS   2           HD1      LYS   2  65.538 -15.574   8.921
   16   1HE   LYS   2           HE2      LYS   2  68.532 -15.409   9.119
   17   2HE   LYS   2           HE1      LYS   2  67.668 -16.624  10.082
   18   1HZ   LYS   2           HZ1      LYS   2  66.774 -16.296   7.335
   19   2HZ   LYS   2           HZ3      LYS   2  68.309 -16.995   7.524
   20   3HZ   LYS   2           HZ2      LYS   2  66.954 -17.713   8.256
   21    H    GLN   3           HN       GLN   3  66.346  -9.490   7.045
   22    HA   GLN   3           HA       GLN   3  64.555  -8.277   9.061
   23   1HB   GLN   3           HB2      GLN   3  67.265  -7.339   8.369
   24   2HB   GLN   3           HB1      GLN   3  66.027  -6.085   8.278
   25   1HG   GLN   3           HG2      GLN   3  65.456  -6.305  10.543
   26   2HG   GLN   3           HG1      GLN   3  66.162  -7.917  10.664
   27   1HE2  GLN   3          HE22      GLN   3  69.550  -6.627  10.884
   28   2HE2  GLN   3          HE21      GLN   3  68.676  -7.910  10.198
   29    H    ASP   4           HN       ASP   4  62.792  -7.620   7.987
   30    HA   ASP   4           HA       ASP   4  62.361  -7.755   5.219
   31   1HB   ASP   4           HB2      ASP   4  60.831  -7.449   7.314
   32   2HB   ASP   4           HB1      ASP   4  61.049  -5.725   7.016
   33    H    TYR   5           HN       TYR   5  61.474  -5.405   4.189
   34    HA   TYR   5           HA       TYR   5  63.954  -3.747   4.088
   35   1HB   TYR   5           HB2      TYR   5  62.052  -3.116   2.023
   36   2HB   TYR   5           HB1      TYR   5  63.665  -3.805   1.863
   37    HD1  TYR   5           HD2      TYR   5  63.947  -6.317   2.029
   38    HD2  TYR   5           HD1      TYR   5  60.098  -4.432   1.751
   39    HE1  TYR   5           HE2      TYR   5  62.941  -8.474   1.334
   40    HE2  TYR   5           HE1      TYR   5  59.092  -6.588   1.052
   41    HH   TYR   5           HH       TYR   5  60.427  -8.924  -0.193
   42    H    TYR   6           HN       TYR   6  61.700  -3.505   6.113
   43    HA   TYR   6           HA       TYR   6  60.490  -0.897   5.433
   44   1HB   TYR   6           HB2      TYR   6  58.933  -1.609   6.921
   45   2HB   TYR   6           HB1      TYR   6  59.802  -3.137   6.957
   46    HD1  TYR   6           HD2      TYR   6  60.089   0.309   8.460
   47    HD2  TYR   6           HD1      TYR   6  60.443  -3.932   9.026
   48    HE1  TYR   6           HE2      TYR   6  60.652   0.663  10.844
   49    HE2  TYR   6           HE1      TYR   6  60.991  -3.568  11.412
   50    HH   TYR   6           HH       TYR   6  61.125  -0.284  12.789
   51    H    GLU   7           HN       GLU   7  62.588  -2.237   7.977
   52    HA   GLU   7           HA       GLU   7  63.332   0.308   9.072
   53   1HB   GLU   7           HB2      GLU   7  63.782  -2.478   9.478
   54   2HB   GLU   7           HB1      GLU   7  65.365  -1.707   9.373
   55   1HG   GLU   7           HG2      GLU   7  64.164   0.084  10.965
   56   2HG   GLU   7           HG1      GLU   7  63.205  -1.332  11.400
   57    H    ILE   8           HN       ILE   8  64.441  -1.616   6.373
   58    HA   ILE   8           HA       ILE   8  67.026  -0.793   5.877
   59    HB   ILE   8           HB       ILE   8  64.600  -1.479   4.305
   60   1HG1  ILE   8          HG12      ILE   8  66.324  -3.019   3.243
   61   2HG1  ILE   8          HG11      ILE   8  67.499  -2.357   4.380
   62   1HG2  ILE   8          HG21      ILE   8  66.743   0.275   3.233
   63   2HG2  ILE   8          HG23      ILE   8  66.278  -1.095   2.226
   64   3HG2  ILE   8          HG22      ILE   8  65.068   0.092   2.710
   65   1HD1  ILE   8          HD12      ILE   8  64.948  -3.234   5.591
   66   2HD1  ILE   8          HD11      ILE   8  65.934  -4.528   4.908
   67   3HD1  ILE   8          HD13      ILE   8  66.603  -3.472   6.152
   68    H    LEU   9           HN       LEU   9  64.085   1.162   5.746
   69    HA   LEU   9           HA       LEU   9  65.721   3.499   4.803
   70   1HB   LEU   9           HB2      LEU   9  62.712   3.212   5.002
   71   2HB   LEU   9           HB1      LEU   9  63.614   4.410   4.076
   72    HG   LEU   9           HG       LEU   9  64.417   1.716   3.354
   73   1HD1  LEU   9          HD12      LEU   9  61.502   2.372   3.493
   74   2HD1  LEU   9          HD11      LEU   9  62.089   1.483   2.089
   75   3HD1  LEU   9          HD13      LEU   9  62.313   0.819   3.705
   76   1HD2  LEU   9          HD22      LEU   9  63.122   4.012   1.854
   77   2HD2  LEU   9          HD21      LEU   9  64.854   3.715   2.005
   78   3HD2  LEU   9          HD23      LEU   9  63.842   2.592   1.098
   79    H    GLY  10           HN       GLY  10  65.650   2.421   7.628
   80   1HA   GLY  10           HA2      GLY  10  65.266   3.210   9.825
   81   2HA   GLY  10           HA1      GLY  10  65.666   4.778   9.114
   82    H    VAL  11           HN       VAL  11  62.927   2.489   9.242
   83    HA   VAL  11           HA       VAL  11  61.096   4.835   9.624
   84    HB   VAL  11           HB       VAL  11  60.466   2.414   7.920
   85   1HG1  VAL  11          HG13      VAL  11  59.002   4.644   8.743
   86   2HG1  VAL  11          HG12      VAL  11  59.460   5.003   7.078
   87   3HG1  VAL  11          HG11      VAL  11  58.573   3.524   7.450
   88   1HG2  VAL  11          HG22      VAL  11  62.011   4.900   7.175
   89   2HG2  VAL  11          HG21      VAL  11  62.432   3.215   6.865
   90   3HG2  VAL  11          HG23      VAL  11  61.112   3.972   5.974
   91    H    SER  12           HN       SER  12  58.860   2.803   9.439
   92    HA   SER  12           HA       SER  12  59.296   1.248  11.945
   93   1HB   SER  12           HB2      SER  12  58.164   3.472  12.319
   94   2HB   SER  12           HB1      SER  12  56.866   2.929  11.258
   95    HG   SER  12           HG       SER  12  57.747   1.577  13.598
   96    H    LYS  13           HN       LYS  13  58.356   1.267   8.716
   97    HA   LYS  13           HA       LYS  13  57.466  -0.463   7.386
   98   1HB   LYS  13           HB2      LYS  13  57.844  -2.489   8.297
   99   2HB   LYS  13           HB1      LYS  13  58.281  -1.647   9.780
  100   1HG   LYS  13           HG2      LYS  13  55.859  -1.723  10.465
  101   2HG   LYS  13           HG1      LYS  13  55.540  -2.723   9.048
  102   1HD   LYS  13           HD2      LYS  13  56.242  -4.552  10.150
  103   2HD   LYS  13           HD1      LYS  13  57.805  -3.790  10.454
  104   1HE   LYS  13           HE2      LYS  13  57.170  -3.003  12.547
  105   2HE   LYS  13           HE1      LYS  13  55.449  -2.956  12.119
  106   1HZ   LYS  13           HZ2      LYS  13  57.060  -5.442  12.360
  107   2HZ   LYS  13           HZ1      LYS  13  56.010  -4.858  13.562
  108   3HZ   LYS  13           HZ3      LYS  13  55.390  -5.342  12.059
  109    H    THR  14           HN       THR  14  55.652   0.228  10.397
  110    HA   THR  14           HA       THR  14  53.081  -0.137   8.996
  111    HB   THR  14           HB       THR  14  52.172   0.108  11.199
  112    HG1  THR  14           HG1      THR  14  53.426   1.005  12.871
  113   1HG2  THR  14          HG22      THR  14  53.890  -1.837  10.697
  114   2HG2  THR  14          HG21      THR  14  54.850  -1.016  11.927
  115   3HG2  THR  14          HG23      THR  14  53.240  -1.618  12.322
  116    H    ALA  15           HN       ALA  15  55.393   2.233   9.085
  117    HA   ALA  15           HA       ALA  15  53.964   4.655   9.588
  118   1HB   ALA  15           HB1      ALA  15  56.529   3.807   8.810
  119   2HB   ALA  15           HB3      ALA  15  55.962   4.803   7.468
  120   3HB   ALA  15           HB2      ALA  15  56.027   5.472   9.099
  121    H    GLU  16           HN       GLU  16  54.535   5.990   7.133
  122    HA   GLU  16           HA       GLU  16  52.866   4.710   5.061
  123   1HB   GLU  16           HB2      GLU  16  52.199   7.302   6.509
  124   2HB   GLU  16           HB1      GLU  16  51.379   6.745   5.046
  125   1HG   GLU  16           HG2      GLU  16  51.487   5.270   7.694
  126   2HG   GLU  16           HG1      GLU  16  50.084   6.107   7.028
  127    H    GLU  17           HN       GLU  17  52.690   7.781   4.264
  128    HA   GLU  17           HA       GLU  17  55.194   7.736   2.701
  129   1HB   GLU  17           HB2      GLU  17  52.529   8.617   2.358
  130   2HB   GLU  17           HB1      GLU  17  53.523  10.074   2.363
  131   1HG   GLU  17           HG2      GLU  17  55.024   8.363   0.814
  132   2HG   GLU  17           HG1      GLU  17  53.376   7.913   0.369
  133    H    ARG  18           HN       ARG  18  53.890   9.235   5.545
  134    HA   ARG  18           HA       ARG  18  55.340  11.682   5.536
  135   1HB   ARG  18           HB2      ARG  18  54.447  11.905   7.661
  136   2HB   ARG  18           HB1      ARG  18  53.417  10.617   7.051
  137   1HG   ARG  18           HG2      ARG  18  55.979   9.995   8.538
  138   2HG   ARG  18           HG1      ARG  18  54.474  10.307   9.392
  139   1HD   ARG  18           HD2      ARG  18  54.213   8.386   7.158
  140   2HD   ARG  18           HD1      ARG  18  55.209   7.824   8.517
  141    HE   ARG  18           HE       ARG  18  52.372   8.727   8.736
  142   1HH1  ARG  18          HH21      ARG  18  54.722   8.916  10.931
  143   2HH1  ARG  18          HH22      ARG  18  54.183   7.643  11.974
  144   1HH2  ARG  18          HH11      ARG  18  51.893   6.386   9.693
  145   2HH2  ARG  18          HH12      ARG  18  52.584   6.210  11.272
  146    H    GLU  19           HN       GLU  19  56.376   8.428   6.555
  147    HA   GLU  19           HA       GLU  19  58.978   9.632   7.374
  148   1HB   GLU  19           HB2      GLU  19  57.362   7.516   8.336
  149   2HB   GLU  19           HB1      GLU  19  58.826   6.775   7.678
  150   1HG   GLU  19           HG2      GLU  19  60.133   7.651   9.295
  151   2HG   GLU  19           HG1      GLU  19  59.363   9.231   9.171
  152    H    ILE  20           HN       ILE  20  57.600   7.131   5.257
  153    HA   ILE  20           HA       ILE  20  60.018   6.341   4.045
  154    HB   ILE  20           HB       ILE  20  57.165   6.115   3.651
  155   1HG1  ILE  20          HG12      ILE  20  57.866   3.944   2.740
  156   2HG1  ILE  20          HG11      ILE  20  59.531   4.518   2.649
  157   1HG2  ILE  20          HG22      ILE  20  58.839   6.625   1.184
  158   2HG2  ILE  20          HG21      ILE  20  57.385   5.626   1.132
  159   3HG2  ILE  20          HG23      ILE  20  57.273   7.319   1.604
  160   1HD1  ILE  20          HD11      ILE  20  59.360   4.985   5.156
  161   2HD1  ILE  20          HD13      ILE  20  57.867   4.046   5.129
  162   3HD1  ILE  20          HD12      ILE  20  59.396   3.286   4.688
  163    H    ARG  21           HN       ARG  21  58.296   9.357   3.896
  164    HA   ARG  21           HA       ARG  21  59.603  10.180   1.389
  165   1HB   ARG  21           HB2      ARG  21  58.278  12.208   1.702
  166   2HB   ARG  21           HB1      ARG  21  57.255  10.819   2.063
  167   1HG   ARG  21           HG2      ARG  21  57.744  11.101   4.468
  168   2HG   ARG  21           HG1      ARG  21  58.727  12.514   4.098
  169   1HD   ARG  21           HD2      ARG  21  55.781  12.255   3.387
  170   2HD   ARG  21           HD1      ARG  21  56.406  13.145   4.791
  171    HE   ARG  21           HE       ARG  21  57.030  13.838   1.946
  172   1HH1  ARG  21          HH21      ARG  21  59.112  14.836   3.762
  173   2HH1  ARG  21          HH22      ARG  21  58.502  16.381   4.252
  174   1HH2  ARG  21          HH11      ARG  21  55.251  15.717   3.249
  175   2HH2  ARG  21          HH12      ARG  21  56.317  16.881   3.962
  176    H    LYS  22           HN       LYS  22  59.956  10.645   4.842
  177    HA   LYS  22           HA       LYS  22  62.121  12.616   4.493
  178   1HB   LYS  22           HB2      LYS  22  60.334  12.629   6.331
  179   2HB   LYS  22           HB1      LYS  22  61.123  11.196   6.987
  180   1HG   LYS  22           HG2      LYS  22  62.793  13.612   6.392
  181   2HG   LYS  22           HG1      LYS  22  61.802  13.601   7.852
  182   1HD   LYS  22           HD2      LYS  22  63.876  11.525   7.084
  183   2HD   LYS  22           HD1      LYS  22  64.031  12.726   8.365
  184   1HE   LYS  22           HE2      LYS  22  61.707  11.593   9.140
  185   2HE   LYS  22           HE1      LYS  22  62.452  10.202   8.329
  186   1HZ   LYS  22           HZ3      LYS  22  64.109  11.883  10.073
  187   2HZ   LYS  22           HZ2      LYS  22  63.060  10.758  10.794
  188   3HZ   LYS  22           HZ1      LYS  22  64.260  10.233   9.712
  189    H    ALA  23           HN       ALA  23  61.485   9.249   5.147
  190    HA   ALA  23           HA       ALA  23  64.232   8.557   5.906
  191   1HB   ALA  23           HB2      ALA  23  61.672   7.119   5.215
  192   2HB   ALA  23           HB1      ALA  23  63.172   6.215   5.395
  193   3HB   ALA  23           HB3      ALA  23  62.539   7.147   6.751
  194    H    TYR  24           HN       TYR  24  62.199   7.779   3.041
  195    HA   TYR  24           HA       TYR  24  64.108   6.633   1.383
  196   1HB   TYR  24           HB2      TYR  24  61.800   6.873   0.706
  197   2HB   TYR  24           HB1      TYR  24  61.896   8.628   0.824
  198    HD1  TYR  24           HD1      TYR  24  64.786   6.894  -0.559
  199    HD2  TYR  24           HD2      TYR  24  61.030   8.744  -1.525
  200    HE1  TYR  24           HE1      TYR  24  65.471   7.055  -2.938
  201    HE2  TYR  24           HE2      TYR  24  61.716   8.900  -3.899
  202    HH   TYR  24           HH       TYR  24  63.558   8.820  -5.288
  203    H    LYS  25           HN       LYS  25  63.610  10.046   2.151
  204    HA   LYS  25           HA       LYS  25  65.810  10.929   0.396
  205   1HB   LYS  25           HB2      LYS  25  63.452  11.997   1.539
  206   2HB   LYS  25           HB1      LYS  25  64.791  12.899   2.249
  207   1HG   LYS  25           HG2      LYS  25  65.145  12.445  -0.619
  208   2HG   LYS  25           HG1      LYS  25  63.682  13.361  -0.254
  209   1HD   LYS  25           HD2      LYS  25  65.168  14.789   1.290
  210   2HD   LYS  25           HD1      LYS  25  66.536  14.036   0.469
  211   1HE   LYS  25           HE2      LYS  25  64.363  15.180  -1.244
  212   2HE   LYS  25           HE1      LYS  25  65.485  16.307  -0.456
  213   1HZ   LYS  25           HZ2      LYS  25  67.335  14.971  -1.285
  214   2HZ   LYS  25           HZ1      LYS  25  66.247  13.945  -2.092
  215   3HZ   LYS  25           HZ3      LYS  25  66.392  15.567  -2.567
  216    H    ARG  26           HN       ARG  26  65.096  10.855   3.933
  217    HA   ARG  26           HA       ARG  26  67.716  11.899   4.654
  218   1HB   ARG  26           HB2      ARG  26  65.709  12.084   6.064
  219   2HB   ARG  26           HB1      ARG  26  65.656  10.329   6.230
  220   1HG   ARG  26           HG2      ARG  26  66.910  10.652   8.089
  221   2HG   ARG  26           HG1      ARG  26  68.247  10.899   6.964
  222   1HD   ARG  26           HD2      ARG  26  66.688  13.334   7.215
  223   2HD   ARG  26           HD1      ARG  26  67.258  12.784   8.803
  224    HE   ARG  26           HE       ARG  26  69.552  12.736   7.878
  225   1HH1  ARG  26          HH21      ARG  26  67.488  15.159   6.934
  226   2HH1  ARG  26          HH22      ARG  26  68.397  15.660   5.548
  227   1HH2  ARG  26          HH11      ARG  26  70.571  12.961   5.668
  228   2HH2  ARG  26          HH12      ARG  26  70.139  14.413   4.827
  229    H    LEU  27           HN       LEU  27  66.489   8.628   4.071
  230    HA   LEU  27           HA       LEU  27  68.867   7.395   5.318
  231   1HB   LEU  27           HB2      LEU  27  66.216   6.664   4.590
  232   2HB   LEU  27           HB1      LEU  27  67.317   5.620   3.694
  233    HG   LEU  27           HG       LEU  27  66.693   4.734   5.970
  234   1HD1  LEU  27          HD11      LEU  27  68.885   4.260   4.719
  235   2HD1  LEU  27          HD13      LEU  27  69.632   5.420   5.817
  236   3HD1  LEU  27          HD12      LEU  27  68.888   3.955   6.457
  237   1HD2  LEU  27          HD22      LEU  27  67.263   7.397   6.714
  238   2HD2  LEU  27          HD21      LEU  27  66.854   6.058   7.789
  239   3HD2  LEU  27          HD23      LEU  27  68.544   6.417   7.428
  240    H    ALA  28           HN       ALA  28  67.811   8.406   2.141
  241    HA   ALA  28           HA       ALA  28  69.649   6.723   0.650
  242   1HB   ALA  28           HB2      ALA  28  67.558   7.829  -0.192
  243   2HB   ALA  28           HB1      ALA  28  68.404   9.373  -0.084
  244   3HB   ALA  28           HB3      ALA  28  68.981   8.128  -1.191
  245    H    MET  29           HN       MET  29  69.794   9.832   2.248
  246    HA   MET  29           HA       MET  29  71.961  11.131   1.079
  247   1HB   MET  29           HB2      MET  29  70.636  11.771   3.096
  248   2HB   MET  29           HB1      MET  29  71.521  10.551   4.013
  249   1HG   MET  29           HG2      MET  29  72.727  12.521   4.464
  250   2HG   MET  29           HG1      MET  29  73.650  11.769   3.164
  251   1HE   MET  29           HE3      MET  29  74.757  13.777   3.076
  252   2HE   MET  29           HE2      MET  29  74.604  13.743   1.322
  253   3HE   MET  29           HE1      MET  29  74.291  15.239   2.197
  254    H    LYS  30           HN       LYS  30  72.059   8.634   3.564
  255    HA   LYS  30           HA       LYS  30  74.783   8.126   3.863
  256   1HB   LYS  30           HB2      LYS  30  72.178   6.823   4.142
  257   2HB   LYS  30           HB1      LYS  30  73.470   5.662   3.811
  258   1HG   LYS  30           HG2      LYS  30  73.743   5.781   6.085
  259   2HG   LYS  30           HG1      LYS  30  74.744   7.163   5.636
  260   1HD   LYS  30           HD2      LYS  30  73.313   8.007   7.325
  261   2HD   LYS  30           HD1      LYS  30  72.579   8.556   5.817
  262   1HE   LYS  30           HE2      LYS  30  70.691   7.376   6.236
  263   2HE   LYS  30           HE1      LYS  30  71.623   5.898   6.549
  264   1HZ   LYS  30           HZ1      LYS  30  71.877   7.999   8.536
  265   2HZ   LYS  30           HZ3      LYS  30  70.354   7.258   8.464
  266   3HZ   LYS  30           HZ2      LYS  30  71.740   6.318   8.744
  267    H    TYR  31           HN       TYR  31  72.695   7.529   1.165
  268    HA   TYR  31           HA       TYR  31  74.838   5.906  -0.171
  269   1HB   TYR  31           HB2      TYR  31  71.918   6.028  -0.939
  270   2HB   TYR  31           HB1      TYR  31  73.089   4.749  -1.280
  271    HD1  TYR  31           HD1      TYR  31  74.390   4.420   1.359
  272    HD2  TYR  31           HD2      TYR  31  70.250   4.974   0.358
  273    HE1  TYR  31           HE1      TYR  31  73.730   3.254   3.447
  274    HE2  TYR  31           HE2      TYR  31  69.589   3.808   2.445
  275    HH   TYR  31           HH       TYR  31  71.614   3.298   4.983
  276    H    HIS  32           HN       HIS  32  72.787   8.734  -0.398
  277    HA   HIS  32           HA       HIS  32  72.612   9.541  -2.972
  278   1HB   HIS  32           HB2      HIS  32  73.050  10.735  -0.389
  279   2HB   HIS  32           HB1      HIS  32  73.894  11.683  -1.617
  280    HD1  HIS  32           HD1      HIS  32  71.792  13.357  -0.758
  281    HD2  HIS  32           HD2      HIS  32  70.871  10.193  -3.311
  282    HE1  HIS  32           HE1      HIS  32  69.551  13.907  -1.800
  283    HA   PRO  33           HA       PRO  33  76.423   9.497  -5.127
  284   1HB   PRO  33           HB2      PRO  33  76.217  11.877  -6.511
  285   2HB   PRO  33           HB1      PRO  33  75.315  10.408  -6.933
  286   1HG   PRO  33           HG2      PRO  33  74.438  12.737  -5.269
  287   2HG   PRO  33           HG1      PRO  33  73.592  11.937  -6.612
  288   1HD   PRO  33           HD2      PRO  33  72.938  11.324  -4.130
  289   2HD   PRO  33           HD1      PRO  33  73.119  10.025  -5.334
  290    H    ASP  34           HN       ASP  34  77.904  11.935  -5.822
  291    HA   ASP  34           HA       ASP  34  79.489  13.417  -4.841
  292   1HB   ASP  34           HB2      ASP  34  77.158  13.599  -3.310
  293   2HB   ASP  34           HB1      ASP  34  78.400  13.216  -2.118
  294    H    ARG  35           HN       ARG  35  78.490  11.229  -2.219
  295    HA   ARG  35           HA       ARG  35  81.254  10.374  -1.705
  296   1HB   ARG  35           HB2      ARG  35  80.204   9.395   0.216
  297   2HB   ARG  35           HB1      ARG  35  79.341  10.907  -0.047
  298   1HG   ARG  35           HG2      ARG  35  77.590   9.672  -1.306
  299   2HG   ARG  35           HG1      ARG  35  78.443   8.160  -0.994
  300   1HD   ARG  35           HD2      ARG  35  77.383  10.016   1.172
  301   2HD   ARG  35           HD1      ARG  35  76.596   8.516   0.642
  302    HE   ARG  35           HE       ARG  35  79.278   8.653   1.953
  303   1HH1  ARG  35          HH21      ARG  35  77.666   6.546  -0.026
  304   2HH1  ARG  35          HH22      ARG  35  77.588   5.234   1.101
  305   1HH2  ARG  35          HH11      ARG  35  78.683   7.131   3.789
  306   2HH2  ARG  35          HH12      ARG  35  78.163   5.566   3.263
  307    H    ASN  36           HN       ASN  36  78.330   9.358  -3.269
  308    HA   ASN  36           HA       ASN  36  79.239   6.564  -3.689
  309   1HB   ASN  36           HB2      ASN  36  76.737   8.194  -3.773
  310   2HB   ASN  36           HB1      ASN  36  76.832   6.830  -4.885
  311   1HD2  ASN  36          HD22      ASN  36  75.793   4.716  -2.273
  312   2HD2  ASN  36          HD21      ASN  36  75.496   5.306  -3.837
  313    H    GLN  37           HN       GLN  37  78.946   9.602  -5.349
  314    HA   GLN  37           HA       GLN  37  79.635  10.196  -7.517
  315   1HB   GLN  37           HB2      GLN  37  80.339   7.306  -7.982
  316   2HB   GLN  37           HB1      GLN  37  81.116   8.738  -8.652
  317   1HG   GLN  37           HG2      GLN  37  81.629   9.282  -6.122
  318   2HG   GLN  37           HG1      GLN  37  81.396   7.544  -5.915
  319   1HE2  GLN  37          HE22      GLN  37  84.737   7.036  -6.912
  320   2HE2  GLN  37          HE21      GLN  37  83.520   6.733  -5.769
  321    H    GLY  38           HN       GLY  38  77.209  10.342  -7.531
  322   1HA   GLY  38           HA2      GLY  38  75.284  10.123  -8.859
  323   2HA   GLY  38           HA1      GLY  38  76.202   9.050  -9.920
  324    H    ASP  39           HN       ASP  39  76.906   6.949  -8.463
  325    HA   ASP  39           HA       ASP  39  74.637   6.033  -6.791
  326   1HB   ASP  39           HB2      ASP  39  75.203   5.141  -9.601
  327   2HB   ASP  39           HB1      ASP  39  74.481   4.008  -8.457
  328    H    LYS  40           HN       LYS  40  76.531   3.764  -8.612
  329    HA   LYS  40           HA       LYS  40  78.143   2.211  -7.955
  330   1HB   LYS  40           HB2      LYS  40  78.756   4.556  -6.213
  331   2HB   LYS  40           HB1      LYS  40  79.795   3.144  -6.270
  332   1HG   LYS  40           HG2      LYS  40  79.067   4.977  -8.572
  333   2HG   LYS  40           HG1      LYS  40  80.657   4.791  -7.832
  334   1HD   LYS  40           HD2      LYS  40  81.066   3.214  -9.391
  335   2HD   LYS  40           HD1      LYS  40  79.923   2.190  -8.517
  336   1HE   LYS  40           HE2      LYS  40  78.069   3.035  -9.881
  337   2HE   LYS  40           HE1      LYS  40  79.175   4.133 -10.730
  338   1HZ   LYS  40           HZ3      LYS  40  80.545   1.997 -11.104
  339   2HZ   LYS  40           HZ2      LYS  40  79.083   1.186 -10.795
  340   3HZ   LYS  40           HZ1      LYS  40  79.195   2.280 -12.090
  341    H    GLU  41           HN       GLU  41  77.423   3.758  -4.830
  342    HA   GLU  41           HA       GLU  41  76.873   1.062  -3.691
  343   1HB   GLU  41           HB2      GLU  41  77.542   3.818  -2.697
  344   2HB   GLU  41           HB1      GLU  41  76.710   2.714  -1.599
  345   1HG   GLU  41           HG2      GLU  41  78.597   1.035  -2.517
  346   2HG   GLU  41           HG1      GLU  41  79.467   2.556  -2.712
  347    H    ALA  42           HN       ALA  42  75.266   3.801  -4.939
  348    HA   ALA  42           HA       ALA  42  72.773   3.376  -3.423
  349   1HB   ALA  42           HB1      ALA  42  74.042   5.393  -5.090
  350   2HB   ALA  42           HB3      ALA  42  72.392   5.092  -5.632
  351   3HB   ALA  42           HB2      ALA  42  72.698   5.580  -3.964
  352    H    GLU  43           HN       GLU  43  74.340   2.252  -6.291
  353    HA   GLU  43           HA       GLU  43  72.192   1.747  -8.038
  354   1HB   GLU  43           HB2      GLU  43  74.525   1.396  -8.618
  355   2HB   GLU  43           HB1      GLU  43  74.687   0.158  -7.372
  356   1HG   GLU  43           HG2      GLU  43  72.595  -0.856  -8.775
  357   2HG   GLU  43           HG1      GLU  43  73.462  -0.024 -10.067
  358    H    ALA  44           HN       ALA  44  73.369  -0.319  -5.354
  359    HA   ALA  44           HA       ALA  44  71.087  -2.145  -5.726
  360   1HB   ALA  44           HB3      ALA  44  73.701  -2.071  -4.396
  361   2HB   ALA  44           HB2      ALA  44  72.444  -2.725  -3.346
  362   3HB   ALA  44           HB1      ALA  44  72.759  -3.469  -4.913
  363    H    LYS  45           HN       LYS  45  72.429  -0.211  -3.021
  364    HA   LYS  45           HA       LYS  45  70.282  -0.265  -1.280
  365   1HB   LYS  45           HB2      LYS  45  72.597   1.317  -1.776
  366   2HB   LYS  45           HB1      LYS  45  71.259   2.427  -1.448
  367   1HG   LYS  45           HG2      LYS  45  71.667   1.985   0.734
  368   2HG   LYS  45           HG1      LYS  45  70.865   0.442   0.425
  369   1HD   LYS  45           HD2      LYS  45  73.575   0.300  -0.508
  370   2HD   LYS  45           HD1      LYS  45  73.567   0.861   1.165
  371   1HE   LYS  45           HE2      LYS  45  71.678  -1.159   1.223
  372   2HE   LYS  45           HE1      LYS  45  72.894  -1.795   0.097
  373   1HZ   LYS  45           HZ2      LYS  45  74.616  -1.134   1.709
  374   2HZ   LYS  45           HZ1      LYS  45  73.400  -0.684   2.808
  375   3HZ   LYS  45           HZ3      LYS  45  73.560  -2.306   2.340
  376    H    PHE  46           HN       PHE  46  70.501   1.677  -4.313
  377    HA   PHE  46           HA       PHE  46  68.199   3.291  -3.904
  378   1HB   PHE  46           HB2      PHE  46  69.504   3.681  -5.858
  379   2HB   PHE  46           HB1      PHE  46  69.477   1.977  -6.312
  380    HD1  PHE  46           HD2      PHE  46  66.880   4.556  -5.444
  381    HD2  PHE  46           HD1      PHE  46  68.214   1.559  -8.218
  382    HE1  PHE  46           HE2      PHE  46  64.872   4.956  -6.843
  383    HE2  PHE  46           HE1      PHE  46  66.204   1.958  -9.615
  384    HZ   PHE  46           HZ       PHE  46  64.533   3.657  -8.928
  385    H    LYS  47           HN       LYS  47  68.560  -0.098  -4.427
  386    HA   LYS  47           HA       LYS  47  65.782  -0.589  -5.042
  387   1HB   LYS  47           HB2      LYS  47  66.570  -2.771  -5.385
  388   2HB   LYS  47           HB1      LYS  47  68.091  -1.907  -5.549
  389   1HG   LYS  47           HG2      LYS  47  68.800  -2.520  -3.370
  390   2HG   LYS  47           HG1      LYS  47  67.175  -2.971  -2.882
  391   1HD   LYS  47           HD2      LYS  47  67.804  -5.078  -3.399
  392   2HD   LYS  47           HD1      LYS  47  67.568  -4.570  -5.073
  393   1HE   LYS  47           HE2      LYS  47  69.777  -4.844  -5.473
  394   2HE   LYS  47           HE1      LYS  47  70.160  -3.677  -4.193
  395   1HZ   LYS  47           HZ2      LYS  47  69.262  -6.377  -3.457
  396   2HZ   LYS  47           HZ1      LYS  47  70.878  -6.155  -3.934
  397   3HZ   LYS  47           HZ3      LYS  47  70.265  -5.306  -2.599
  398    H    GLU  48           HN       GLU  48  68.051  -1.092  -2.314
  399    HA   GLU  48           HA       GLU  48  66.137  -1.804  -0.364
  400   1HB   GLU  48           HB2      GLU  48  68.623  -0.064  -0.127
  401   2HB   GLU  48           HB1      GLU  48  67.834  -0.890   1.217
  402   1HG   GLU  48           HG2      GLU  48  68.301  -2.808  -0.854
  403   2HG   GLU  48           HG1      GLU  48  69.804  -1.930  -0.566
  404    H    ILE  49           HN       ILE  49  66.708   1.157  -2.072
  405    HA   ILE  49           HA       ILE  49  65.200   2.778  -0.141
  406    HB   ILE  49           HB       ILE  49  66.338   3.290  -2.907
  407   1HG1  ILE  49          HG12      ILE  49  68.277   3.269  -1.694
  408   2HG1  ILE  49          HG11      ILE  49  67.741   4.866  -1.181
  409   1HG2  ILE  49          HG23      ILE  49  64.543   4.805  -1.188
  410   2HG2  ILE  49          HG22      ILE  49  66.013   5.702  -1.572
  411   3HG2  ILE  49          HG21      ILE  49  64.989   5.087  -2.871
  412   1HD1  ILE  49          HD11      ILE  49  66.584   3.804   0.758
  413   2HD1  ILE  49          HD13      ILE  49  67.271   2.254   0.271
  414   3HD1  ILE  49          HD12      ILE  49  68.332   3.566   0.783
  415    H    LYS  50           HN       LYS  50  64.739   2.816  -3.635
  416    HA   LYS  50           HA       LYS  50  61.885   3.053  -3.330
  417   1HB   LYS  50           HB2      LYS  50  63.895   3.428  -5.296
  418   2HB   LYS  50           HB1      LYS  50  62.725   2.302  -5.989
  419   1HG   LYS  50           HG2      LYS  50  61.065   4.123  -4.800
  420   2HG   LYS  50           HG1      LYS  50  62.407   5.155  -5.296
  421   1HD   LYS  50           HD2      LYS  50  61.894   3.371  -7.448
  422   2HD   LYS  50           HD1      LYS  50  60.336   4.015  -6.927
  423   1HE   LYS  50           HE2      LYS  50  61.532   6.330  -6.931
  424   2HE   LYS  50           HE1      LYS  50  62.745   5.521  -7.943
  425   1HZ   LYS  50           HZ2      LYS  50  59.878   5.157  -8.511
  426   2HZ   LYS  50           HZ1      LYS  50  60.665   6.560  -9.059
  427   3HZ   LYS  50           HZ3      LYS  50  61.203   5.034  -9.567
  428    H    GLU  51           HN       GLU  51  63.941   0.240  -3.382
  429    HA   GLU  51           HA       GLU  51  61.804  -1.477  -4.518
  430   1HB   GLU  51           HB2      GLU  51  64.455  -1.613  -4.706
  431   2HB   GLU  51           HB1      GLU  51  64.316  -2.474  -3.179
  432   1HG   GLU  51           HG2      GLU  51  63.172  -3.205  -5.862
  433   2HG   GLU  51           HG1      GLU  51  64.229  -4.157  -4.821
  434    H    ALA  52           HN       ALA  52  63.242  -0.508  -1.495
  435    HA   ALA  52           HA       ALA  52  61.695  -2.429   0.136
  436   1HB   ALA  52           HB2      ALA  52  64.124  -1.406   0.379
  437   2HB   ALA  52           HB1      ALA  52  63.256  -0.065   1.127
  438   3HB   ALA  52           HB3      ALA  52  63.145  -1.681   1.819
  439    H    TYR  53           HN       TYR  53  62.062   1.095  -0.092
  440    HA   TYR  53           HA       TYR  53  59.752   1.684   1.534
  441   1HB   TYR  53           HB2      TYR  53  60.970   3.567   1.657
  442   2HB   TYR  53           HB1      TYR  53  62.092   2.867   0.509
  443    HD1  TYR  53           HD2      TYR  53  58.738   4.582   0.449
  444    HD2  TYR  53           HD1      TYR  53  62.613   4.126  -1.317
  445    HE1  TYR  53           HE2      TYR  53  58.222   6.381  -1.170
  446    HE2  TYR  53           HE1      TYR  53  62.116   5.920  -2.928
  447    HH   TYR  53           HH       TYR  53  59.660   6.871  -3.911
  448    H    GLU  54           HN       GLU  54  59.838   0.499  -1.571
  449    HA   GLU  54           HA       GLU  54  57.750   2.192  -2.760
  450   1HB   GLU  54           HB2      GLU  54  59.004   1.217  -4.424
  451   2HB   GLU  54           HB1      GLU  54  59.399  -0.186  -3.433
  452   1HG   GLU  54           HG2      GLU  54  57.536  -1.358  -4.096
  453   2HG   GLU  54           HG1      GLU  54  56.559   0.097  -4.296
  454    H    VAL  55           HN       VAL  55  57.914  -1.068  -1.324
  455    HA   VAL  55           HA       VAL  55  55.066  -1.519  -1.698
  456    HB   VAL  55           HB       VAL  55  55.684  -3.652  -1.340
  457   1HG1  VAL  55          HG11      VAL  55  58.366  -2.569  -0.467
  458   2HG1  VAL  55          HG13      VAL  55  58.026  -4.248  -0.864
  459   3HG1  VAL  55          HG12      VAL  55  57.908  -3.008  -2.113
  460   1HG2  VAL  55          HG23      VAL  55  55.128  -3.094   1.097
  461   2HG2  VAL  55          HG22      VAL  55  56.142  -4.508   0.825
  462   3HG2  VAL  55          HG21      VAL  55  56.867  -2.992   1.355
  463    H    LEU  56           HN       LEU  56  57.047  -0.672   1.093
  464    HA   LEU  56           HA       LEU  56  55.284  -0.636   3.200
  465   1HB   LEU  56           HB2      LEU  56  57.579   0.840   2.202
  466   2HB   LEU  56           HB1      LEU  56  56.576   1.849   3.252
  467    HG   LEU  56           HG       LEU  56  56.621   0.064   4.980
  468   1HD1  LEU  56          HD12      LEU  56  58.447  -1.272   2.962
  469   2HD1  LEU  56          HD11      LEU  56  58.330  -1.769   4.649
  470   3HD1  LEU  56          HD13      LEU  56  56.922  -1.892   3.594
  471   1HD2  LEU  56          HD23      LEU  56  59.335   0.977   3.968
  472   2HD2  LEU  56          HD22      LEU  56  58.294   1.842   5.099
  473   3HD2  LEU  56          HD21      LEU  56  59.035   0.315   5.576
  474    H    THR  57           HN       THR  57  55.126   1.396   0.313
  475    HA   THR  57           HA       THR  57  52.857   2.942   1.509
  476    HB   THR  57           HB       THR  57  53.511   4.702   0.090
  477    HG1  THR  57           HG1      THR  57  54.385   2.598  -1.499
  478   1HG2  THR  57          HG22      THR  57  55.458   3.515   1.645
  479   2HG2  THR  57          HG21      THR  57  56.258   3.670   0.082
  480   3HG2  THR  57          HG23      THR  57  55.596   5.097   0.878
  481    H    ASP  58           HN       ASP  58  53.187   0.210  -0.249
  482    HA   ASP  58           HA       ASP  58  51.235   0.874  -2.385
  483   1HB   ASP  58           HB2      ASP  58  53.279  -0.487  -2.793
  484   2HB   ASP  58           HB1      ASP  58  52.677  -1.697  -1.655
  485    H    SER  59           HN       SER  59  49.276   1.155  -1.176
  486    HA   SER  59           HA       SER  59  47.429   0.525   0.184
  487   1HB   SER  59           HB2      SER  59  47.993  -1.748  -1.733
  488   2HB   SER  59           HB1      SER  59  46.495  -1.616  -0.819
  489    HG   SER  59           HG       SER  59  46.049   0.293  -1.856
  490    H    GLN  60           HN       GLN  60  48.443  -2.792  -0.191
  491    HA   GLN  60           HA       GLN  60  48.339  -3.252   2.693
  492   1HB   GLN  60           HB2      GLN  60  48.971  -5.572   1.929
  493   2HB   GLN  60           HB1      GLN  60  47.516  -4.925   1.183
  494   1HG   GLN  60           HG2      GLN  60  49.702  -4.100  -0.424
  495   2HG   GLN  60           HG1      GLN  60  49.931  -5.807  -0.077
  496   1HE2  GLN  60          HE22      GLN  60  46.315  -4.880  -1.805
  497   2HE2  GLN  60          HE21      GLN  60  46.904  -3.908  -0.543
  498    H    LYS  61           HN       LYS  61  50.911  -3.006   0.247
  499    HA   LYS  61           HA       LYS  61  53.211  -2.655   0.523
  500   1HB   LYS  61           HB2      LYS  61  52.550  -2.123   3.421
  501   2HB   LYS  61           HB1      LYS  61  53.792  -1.373   2.431
  502   1HG   LYS  61           HG2      LYS  61  52.293   0.046   1.383
  503   2HG   LYS  61           HG1      LYS  61  50.925  -1.040   1.614
  504   1HD   LYS  61           HD2      LYS  61  52.281   0.191   3.998
  505   2HD   LYS  61           HD1      LYS  61  51.093   1.119   3.084
  506   1HE   LYS  61           HE2      LYS  61  49.975  -1.466   3.483
  507   2HE   LYS  61           HE1      LYS  61  50.613  -0.926   5.046
  508   1HZ   LYS  61           HZ3      LYS  61  48.930   0.719   3.228
  509   2HZ   LYS  61           HZ2      LYS  61  48.370  -0.056   4.634
  510   3HZ   LYS  61           HZ1      LYS  61  49.517   1.192   4.747
  511    H    ARG  62           HN       ARG  62  52.339  -3.884   3.750
  512    HA   ARG  62           HA       ARG  62  54.569  -5.776   3.643
  513   1HB   ARG  62           HB2      ARG  62  52.417  -5.396   5.736
  514   2HB   ARG  62           HB1      ARG  62  54.043  -6.034   5.976
  515   1HG   ARG  62           HG2      ARG  62  54.757  -3.694   4.962
  516   2HG   ARG  62           HG1      ARG  62  53.163  -3.208   5.539
  517   1HD   ARG  62           HD2      ARG  62  55.416  -4.399   7.193
  518   2HD   ARG  62           HD1      ARG  62  54.692  -2.786   7.360
  519    HE   ARG  62           HE       ARG  62  53.564  -5.237   8.406
  520   1HH1  ARG  62          HH21      ARG  62  51.198  -5.190   7.265
  521   2HH1  ARG  62          HH22      ARG  62  50.325  -3.786   7.783
  522   1HH2  ARG  62          HH11      ARG  62  53.148  -2.133   8.935
  523   2HH2  ARG  62          HH12      ARG  62  51.429  -2.055   8.731
  524    H    ALA  63           HN       ALA  63  51.463  -5.903   2.479
  525    HA   ALA  63           HA       ALA  63  51.248  -8.840   3.047
  526   1HB   ALA  63           HB2      ALA  63  49.465  -6.706   3.355
  527   2HB   ALA  63           HB1      ALA  63  48.931  -7.497   1.872
  528   3HB   ALA  63           HB3      ALA  63  49.039  -8.416   3.373
  529    H    ALA  64           HN       ALA  64  51.664  -6.365   0.675
  530    HA   ALA  64           HA       ALA  64  51.059  -8.100  -1.636
  531   1HB   ALA  64           HB1      ALA  64  51.635  -5.250  -1.026
  532   2HB   ALA  64           HB3      ALA  64  52.155  -5.809  -2.616
  533   3HB   ALA  64           HB2      ALA  64  50.459  -5.936  -2.147
  534    H    TYR  65           HN       TYR  65  53.908  -6.291  -0.430
  535    HA   TYR  65           HA       TYR  65  55.666  -7.700  -2.315
  536   1HB   TYR  65           HB2      TYR  65  55.590  -5.343  -0.723
  537   2HB   TYR  65           HB1      TYR  65  57.033  -6.241  -0.273
  538    HD1  TYR  65           HD2      TYR  65  55.230  -4.657  -3.100
  539    HD2  TYR  65           HD1      TYR  65  58.857  -6.569  -1.815
  540    HE1  TYR  65           HE2      TYR  65  56.347  -3.946  -5.196
  541    HE2  TYR  65           HE1      TYR  65  59.974  -5.856  -3.912
  542    HH   TYR  65           HH       TYR  65  58.266  -4.657  -6.588
  543    H    ASP  66           HN       ASP  66  54.582  -8.103   0.951
  544    HA   ASP  66           HA       ASP  66  56.843  -9.524   1.963
  545   1HB   ASP  66           HB2      ASP  66  55.329 -10.122   3.738
  546   2HB   ASP  66           HB1      ASP  66  54.874  -8.503   3.202
  547    H    GLN  67           HN       GLN  67  54.164 -10.409  -0.135
  548    HA   GLN  67           HA       GLN  67  55.177 -13.241  -0.134
  549   1HB   GLN  67           HB2      GLN  67  52.866 -13.919  -0.464
  550   2HB   GLN  67           HB1      GLN  67  52.934 -12.830   0.922
  551   1HG   GLN  67           HG2      GLN  67  52.269 -10.944  -0.541
  552   2HG   GLN  67           HG1      GLN  67  52.158 -12.057  -1.906
  553   1HE2  GLN  67          HE22      GLN  67  49.318 -13.816  -0.319
  554   2HE2  GLN  67          HE21      GLN  67  50.827 -14.236  -0.972
  555    H    TYR  68           HN       TYR  68  53.642 -10.679  -2.118
  556    HA   TYR  68           HA       TYR  68  54.329 -12.185  -4.586
  557   1HB   TYR  68           HB2      TYR  68  52.789  -9.636  -4.003
  558   2HB   TYR  68           HB1      TYR  68  53.011 -10.300  -5.625
  559    HD1  TYR  68           HD2      TYR  68  52.732 -13.149  -5.322
  560    HD2  TYR  68           HD1      TYR  68  50.583 -10.008  -3.331
  561    HE1  TYR  68           HE2      TYR  68  50.822 -14.687  -4.957
  562    HE2  TYR  68           HE1      TYR  68  48.671 -11.546  -2.967
  563    HH   TYR  68           HH       TYR  68  48.507 -14.664  -4.490
  564    H    GLY  69           HN       GLY  69  54.367  -8.680  -4.422
  565   1HA   GLY  69           HA2      GLY  69  56.422  -7.327  -4.225
  566   2HA   GLY  69           HA1      GLY  69  57.326  -8.709  -4.848
  567    H    HIS  70           HN       HIS  70  54.796  -6.377  -5.782
  568    HA   HIS  70           HA       HIS  70  54.385  -5.358  -7.872
  569   1HB   HIS  70           HB2      HIS  70  57.232  -6.046  -7.723
  570   2HB   HIS  70           HB1      HIS  70  56.635  -5.920  -9.380
  571    HD1  HIS  70           HD1      HIS  70  55.093  -3.848  -6.669
  572    HD2  HIS  70           HD2      HIS  70  57.865  -3.365  -9.745
  573    HE1  HIS  70           HE1      HIS  70  55.476  -1.356  -6.900
  574    H    ALA  71           HN       ALA  71  52.913  -7.465  -7.868
  575    HA   ALA  71           HA       ALA  71  52.032  -9.268  -9.131
  576   1HB   ALA  71           HB3      ALA  71  52.969  -7.132 -10.771
  577   2HB   ALA  71           HB2      ALA  71  53.363  -8.637 -11.600
  578   3HB   ALA  71           HB1      ALA  71  51.695  -8.293 -11.142
  579    H    ALA  72           HN       ALA  72  54.853  -9.398  -7.909
  580    HA   ALA  72           HA       ALA  72  56.824 -10.703  -9.265
  581   1HB   ALA  72           HB2      ALA  72  56.644 -10.298  -6.801
  582   2HB   ALA  72           HB1      ALA  72  55.569 -11.693  -6.685
  583   3HB   ALA  72           HB3      ALA  72  57.248 -11.911  -7.182
  584    H    PHE  73           HN       PHE  73  54.384 -12.768  -7.659
  585    HA   PHE  73           HA       PHE  73  54.752 -14.769  -9.841
  586   1HB   PHE  73           HB2      PHE  73  54.401 -14.766  -6.975
  587   2HB   PHE  73           HB1      PHE  73  53.134 -15.739  -7.723
  588    HD1  PHE  73           HD1      PHE  73  56.725 -15.103  -8.611
  589    HD2  PHE  73           HD2      PHE  73  53.709 -18.000  -7.630
  590    HE1  PHE  73           HE1      PHE  73  58.354 -16.930  -8.999
  591    HE2  PHE  73           HE2      PHE  73  55.339 -19.828  -8.019
  592    HZ   PHE  73           HZ       PHE  73  57.662 -19.294  -8.704
  593    H    GLU  74           HN       GLU  74  53.242 -12.723 -10.810
  594    HA   GLU  74           HA       GLU  74  50.725 -13.950 -11.463
  595   1HB   GLU  74           HB2      GLU  74  50.470 -13.245  -9.015
  596   2HB   GLU  74           HB1      GLU  74  50.540 -11.578  -9.588
  597   1HG   GLU  74           HG2      GLU  74  48.226 -12.040  -9.540
  598   2HG   GLU  74           HG1      GLU  74  48.662 -12.286 -11.232
  599    H    GLN  75           HN       GLN  75  51.235 -13.259 -13.593
  600    HA   GLN  75           HA       GLN  75  52.223 -10.793 -14.465
  601   1HB   GLN  75           HB2      GLN  75  50.141 -12.649 -15.658
  602   2HB   GLN  75           HB1      GLN  75  50.951 -11.370 -16.565
  603   1HG   GLN  75           HG2      GLN  75  52.484 -13.504 -15.070
  604   2HG   GLN  75           HG1      GLN  75  51.986 -13.705 -16.749
  605   1HE2  GLN  75          HE22      GLN  75  55.196 -11.413 -15.896
  606   2HE2  GLN  75          HE21      GLN  75  54.385 -12.307 -14.703
  607    H    GLY  76           HN       GLY  76  48.733 -11.619 -14.521
  608   1HA   GLY  76           HA2      GLY  76  47.894  -8.893 -14.836
  609   2HA   GLY  76           HA1      GLY  76  46.849 -10.228 -14.349
  610    H    GLY  77           HN       GLY  77  46.497 -10.598 -12.125
  611   1HA   GLY  77           HA2      GLY  77  46.580  -8.356 -10.397
  612   2HA   GLY  77           HA1      GLY  77  46.356 -10.020  -9.854
   
  No H/Q in entry =         612
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1  63.448 -14.448   9.571
    2   2H    ALA   1           HT3      ALA   1  62.132 -15.352   8.998
    3   3H    ALA   1           HT2      ALA   1  63.194 -16.028  10.140
    4    HA   ALA   1           HA       ALA   1  64.939 -16.221   8.584
    5   1HB   ALA   1           HB3      ALA   1  62.808 -17.707   8.530
    6   2HB   ALA   1           HB2      ALA   1  62.427 -16.853   7.035
    7   3HB   ALA   1           HB1      ALA   1  63.908 -17.802   7.157
    8    H    LYS   2           HN       LYS   2  62.175 -14.458   7.149
    9    HA   LYS   2           HA       LYS   2  63.830 -13.511   4.902
   10   1HB   LYS   2           HB2      LYS   2  60.986 -13.476   5.787
   11   2HB   LYS   2           HB1      LYS   2  61.494 -12.152   4.737
   12   1HG   LYS   2           HG2      LYS   2  62.560 -14.023   3.274
   13   2HG   LYS   2           HG1      LYS   2  61.499 -15.110   4.169
   14   1HD   LYS   2           HD2      LYS   2  60.574 -12.651   2.654
   15   2HD   LYS   2           HD1      LYS   2  60.451 -14.307   2.059
   16   1HE   LYS   2           HE2      LYS   2  59.208 -13.370   4.668
   17   2HE   LYS   2           HE1      LYS   2  58.324 -13.491   3.132
   18   1HZ   LYS   2           HZ2      LYS   2  59.183 -15.817   2.981
   19   2HZ   LYS   2           HZ1      LYS   2  59.721 -15.668   4.584
   20   3HZ   LYS   2           HZ3      LYS   2  58.065 -15.562   4.234
   21    H    GLN   3           HN       GLN   3  63.789 -11.060   4.476
   22    HA   GLN   3           HA       GLN   3  64.180  -9.576   7.059
   23   1HB   GLN   3           HB2      GLN   3  65.578  -9.274   4.378
   24   2HB   GLN   3           HB1      GLN   3  65.957  -8.368   5.844
   25   1HG   GLN   3           HG2      GLN   3  67.532 -10.067   5.988
   26   2HG   GLN   3           HG1      GLN   3  66.196 -10.794   6.884
   27   1HE2  GLN   3          HE21      GLN   3  65.641 -12.862   6.190
   28   2HE2  GLN   3          HE22      GLN   3  65.932 -13.480   4.636
   29    H    ASP   4           HN       ASP   4  62.140  -8.613   7.125
   30    HA   ASP   4           HA       ASP   4  60.504  -7.577   5.171
   31   1HB   ASP   4           HB2      ASP   4  60.213  -7.573   7.660
   32   2HB   ASP   4           HB1      ASP   4  61.318  -6.202   7.750
   33    H    TYR   5           HN       TYR   5  60.314  -5.427   4.192
   34    HA   TYR   5           HA       TYR   5  62.978  -4.140   3.775
   35   1HB   TYR   5           HB2      TYR   5  60.975  -3.262   1.911
   36   2HB   TYR   5           HB1      TYR   5  62.445  -4.181   1.600
   37    HD1  TYR   5           HD2      TYR   5  58.837  -4.454   2.457
   38    HD2  TYR   5           HD1      TYR   5  62.384  -6.548   1.234
   39    HE1  TYR   5           HE2      TYR   5  57.477  -6.465   1.951
   40    HE2  TYR   5           HE1      TYR   5  61.024  -8.558   0.730
   41    HH   TYR   5           HH       TYR   5  58.881  -9.530   1.361
   42    H    TYR   6           HN       TYR   6  59.874  -3.630   5.161
   43    HA   TYR   6           HA       TYR   6  59.851  -0.720   4.965
   44   1HB   TYR   6           HB2      TYR   6  58.047  -2.674   5.503
   45   2HB   TYR   6           HB1      TYR   6  58.428  -2.121   7.132
   46    HD1  TYR   6           HD1      TYR   6  59.092   0.768   6.409
   47    HD2  TYR   6           HD2      TYR   6  55.823  -1.801   5.323
   48    HE1  TYR   6           HE1      TYR   6  57.628   2.750   6.117
   49    HE2  TYR   6           HE2      TYR   6  54.364   0.183   5.025
   50    HH   TYR   6           HH       TYR   6  55.011   3.136   6.238
   51    H    GLU   7           HN       GLU   7  61.052  -3.172   7.143
   52    HA   GLU   7           HA       GLU   7  61.844  -1.211   9.192
   53   1HB   GLU   7           HB2      GLU   7  61.241  -3.979   9.014
   54   2HB   GLU   7           HB1      GLU   7  62.931  -3.868   9.508
   55   1HG   GLU   7           HG2      GLU   7  62.286  -2.301  11.317
   56   2HG   GLU   7           HG1      GLU   7  60.595  -2.470  10.844
   57    H    ILE   8           HN       ILE   8  63.201  -2.922   6.456
   58    HA   ILE   8           HA       ILE   8  65.973  -2.826   7.108
   59    HB   ILE   8           HB       ILE   8  64.237  -3.497   4.956
   60   1HG1  ILE   8          HG12      ILE   8  67.165  -3.942   4.700
   61   2HG1  ILE   8          HG11      ILE   8  66.391  -4.560   6.160
   62   1HG2  ILE   8          HG22      ILE   8  66.456  -1.604   4.153
   63   2HG2  ILE   8          HG21      ILE   8  65.754  -2.775   3.035
   64   3HG2  ILE   8          HG23      ILE   8  64.746  -1.508   3.734
   65   1HD1  ILE   8          HD11      ILE   8  64.829  -5.110   3.750
   66   2HD1  ILE   8          HD13      ILE   8  66.437  -5.833   3.691
   67   3HD1  ILE   8          HD12      ILE   8  65.348  -6.213   5.025
   68    H    LEU   9           HN       LEU   9  63.751  -0.346   5.968
   69    HA   LEU   9           HA       LEU   9  65.916   1.557   5.339
   70   1HB   LEU   9           HB2      LEU   9  62.947   2.079   5.632
   71   2HB   LEU   9           HB1      LEU   9  64.100   2.936   4.610
   72    HG   LEU   9           HG       LEU   9  63.136   0.084   4.259
   73   1HD1  LEU   9          HD13      LEU   9  62.867   2.570   2.540
   74   2HD1  LEU   9          HD12      LEU   9  62.285   0.963   2.110
   75   3HD1  LEU   9          HD11      LEU   9  61.574   1.821   3.475
   76   1HD2  LEU   9          HD23      LEU   9  65.212   1.669   2.718
   77   2HD2  LEU   9          HD22      LEU   9  65.531   0.264   3.735
   78   3HD2  LEU   9          HD21      LEU   9  64.595   0.085   2.250
   79    H    GLY  10           HN       GLY  10  65.123   0.366   8.178
   80   1HA   GLY  10           HA2      GLY  10  65.209   1.175  10.382
   81   2HA   GLY  10           HA1      GLY  10  65.932   2.642   9.713
   82    H    VAL  11           HN       VAL  11  62.735   1.142   9.218
   83    HA   VAL  11           HA       VAL  11  61.485   3.689  10.204
   84    HB   VAL  11           HB       VAL  11  60.422   2.011   7.938
   85   1HG1  VAL  11          HG13      VAL  11  59.688   4.458   9.274
   86   2HG1  VAL  11          HG12      VAL  11  59.977   4.767   7.562
   87   3HG1  VAL  11          HG11      VAL  11  58.799   3.549   8.053
   88   1HG2  VAL  11          HG21      VAL  11  62.815   2.717   7.485
   89   2HG2  VAL  11          HG23      VAL  11  61.627   3.297   6.325
   90   3HG2  VAL  11          HG22      VAL  11  62.256   4.385   7.564
   91    H    SER  12           HN       SER  12  59.153   3.363  10.688
   92    HA   SER  12           HA       SER  12  58.672   0.745  12.012
   93   1HB   SER  12           HB2      SER  12  58.303   3.091  13.048
   94   2HB   SER  12           HB1      SER  12  56.935   3.236  11.948
   95    HG   SER  12           HG       SER  12  56.922   2.115  14.279
   96    H    LYS  13           HN       LYS  13  58.035  -0.672  10.347
   97    HA   LYS  13           HA       LYS  13  56.837  -0.009   7.938
   98   1HB   LYS  13           HB2      LYS  13  56.448  -2.307   7.698
   99   2HB   LYS  13           HB1      LYS  13  57.762  -2.227   8.872
  100   1HG   LYS  13           HG2      LYS  13  56.231  -2.545  10.719
  101   2HG   LYS  13           HG1      LYS  13  54.835  -2.392   9.652
  102   1HD   LYS  13           HD2      LYS  13  55.757  -4.414   8.386
  103   2HD   LYS  13           HD1      LYS  13  56.862  -4.634   9.743
  104   1HE   LYS  13           HE2      LYS  13  55.113  -5.109  11.254
  105   2HE   LYS  13           HE1      LYS  13  53.888  -4.367  10.205
  106   1HZ   LYS  13           HZ3      LYS  13  55.484  -6.784   9.537
  107   2HZ   LYS  13           HZ2      LYS  13  53.858  -6.792  10.031
  108   3HZ   LYS  13           HZ1      LYS  13  54.297  -6.073   8.554
  109    H    THR  14           HN       THR  14  55.338   0.380  10.977
  110    HA   THR  14           HA       THR  14  52.606   0.102   9.899
  111    HB   THR  14           HB       THR  14  52.272   1.179  12.322
  112    HG1  THR  14           HG1      THR  14  54.012   1.144  13.528
  113   1HG2  THR  14          HG23      THR  14  52.811  -1.551  11.362
  114   2HG2  THR  14          HG22      THR  14  53.047  -1.339  13.096
  115   3HG2  THR  14          HG21      THR  14  51.491  -0.950  12.365
  116    H    ALA  15           HN       ALA  15  54.906   2.198   9.194
  117    HA   ALA  15           HA       ALA  15  53.628   4.776   9.787
  118   1HB   ALA  15           HB2      ALA  15  56.161   4.165   9.522
  119   2HB   ALA  15           HB1      ALA  15  55.828   4.248   7.791
  120   3HB   ALA  15           HB3      ALA  15  55.585   5.671   8.803
  121    H    GLU  16           HN       GLU  16  54.374   5.890   7.262
  122    HA   GLU  16           HA       GLU  16  52.702   4.593   5.217
  123   1HB   GLU  16           HB2      GLU  16  51.834   6.660   7.003
  124   2HB   GLU  16           HB1      GLU  16  51.994   7.381   5.403
  125   1HG   GLU  16           HG2      GLU  16  50.791   4.946   4.867
  126   2HG   GLU  16           HG1      GLU  16  50.041   5.432   6.387
  127    H    GLU  17           HN       GLU  17  52.751   7.217   3.804
  128    HA   GLU  17           HA       GLU  17  55.513   7.076   2.788
  129   1HB   GLU  17           HB2      GLU  17  53.334   7.212   1.420
  130   2HB   GLU  17           HB1      GLU  17  53.264   8.904   1.916
  131   1HG   GLU  17           HG2      GLU  17  55.864   8.698   1.078
  132   2HG   GLU  17           HG1      GLU  17  55.051   7.592  -0.030
  133    H    ARG  18           HN       ARG  18  54.340   8.438   5.432
  134    HA   ARG  18           HA       ARG  18  55.287  11.188   5.044
  135   1HB   ARG  18           HB2      ARG  18  54.253  11.613   7.124
  136   2HB   ARG  18           HB1      ARG  18  53.241  10.373   6.393
  137   1HG   ARG  18           HG2      ARG  18  55.501   9.430   8.104
  138   2HG   ARG  18           HG1      ARG  18  54.135  10.184   8.914
  139   1HD   ARG  18           HD2      ARG  18  53.274   8.296   6.853
  140   2HD   ARG  18           HD1      ARG  18  54.246   7.529   8.123
  141    HE   ARG  18           HE       ARG  18  51.689   8.980   8.539
  142   1HH1  ARG  18          HH21      ARG  18  53.371   9.723  10.801
  143   2HH1  ARG  18          HH22      ARG  18  53.154   8.415  11.916
  144   1HH2  ARG  18          HH11      ARG  18  51.869   6.249   9.535
  145   2HH2  ARG  18          HH12      ARG  18  52.305   6.447  11.199
  146    H    GLU  19           HN       GLU  19  56.444   8.212   6.556
  147    HA   GLU  19           HA       GLU  19  58.846   9.717   7.489
  148   1HB   GLU  19           HB2      GLU  19  57.233   7.684   8.626
  149   2HB   GLU  19           HB1      GLU  19  58.803   6.954   8.268
  150   1HG   GLU  19           HG2      GLU  19  59.809   8.113   9.902
  151   2HG   GLU  19           HG1      GLU  19  59.122   9.630   9.323
  152    H    ILE  20           HN       ILE  20  57.749   7.018   5.501
  153    HA   ILE  20           HA       ILE  20  60.351   6.105   4.794
  154    HB   ILE  20           HB       ILE  20  57.608   5.619   4.139
  155   1HG1  ILE  20          HG12      ILE  20  58.502   3.436   3.572
  156   2HG1  ILE  20          HG11      ILE  20  60.119   4.112   3.377
  157   1HG2  ILE  20          HG21      ILE  20  59.422   6.101   1.773
  158   2HG2  ILE  20          HG23      ILE  20  58.106   4.928   1.687
  159   3HG2  ILE  20          HG22      ILE  20  57.754   6.627   2.003
  160   1HD1  ILE  20          HD13      ILE  20  58.637   4.419   5.980
  161   2HD1  ILE  20          HD12      ILE  20  59.540   2.946   5.632
  162   3HD1  ILE  20          HD11      ILE  20  60.371   4.498   5.682
  163    H    ARG  21           HN       ARG  21  58.644   9.007   4.101
  164    HA   ARG  21           HA       ARG  21  60.131   9.582   1.630
  165   1HB   ARG  21           HB2      ARG  21  58.751  11.532   1.555
  166   2HB   ARG  21           HB1      ARG  21  57.718  10.286   2.258
  167   1HG   ARG  21           HG2      ARG  21  58.373  11.098   4.534
  168   2HG   ARG  21           HG1      ARG  21  59.263  12.414   3.768
  169   1HD   ARG  21           HD2      ARG  21  56.563  12.248   2.695
  170   2HD   ARG  21           HD1      ARG  21  56.543  12.448   4.460
  171    HE   ARG  21           HE       ARG  21  58.244  14.338   4.037
  172   1HH1  ARG  21          HH21      ARG  21  58.596  14.330   1.194
  173   2HH1  ARG  21          HH22      ARG  21  57.364  15.391   0.598
  174   1HH2  ARG  21          HH11      ARG  21  55.485  15.279   3.509
  175   2HH2  ARG  21          HH12      ARG  21  55.603  15.929   1.907
  176    H    LYS  22           HN       LYS  22  60.112  10.635   5.008
  177    HA   LYS  22           HA       LYS  22  62.412  12.404   4.645
  178   1HB   LYS  22           HB2      LYS  22  60.588  12.785   6.318
  179   2HB   LYS  22           HB1      LYS  22  61.035  11.276   7.116
  180   1HG   LYS  22           HG2      LYS  22  63.187  13.296   6.654
  181   2HG   LYS  22           HG1      LYS  22  62.018  13.615   7.937
  182   1HD   LYS  22           HD2      LYS  22  63.711  11.115   7.646
  183   2HD   LYS  22           HD1      LYS  22  63.930  12.385   8.849
  184   1HE   LYS  22           HE2      LYS  22  61.238  11.669   9.112
  185   2HE   LYS  22           HE1      LYS  22  62.087  10.125   8.894
  186   1HZ   LYS  22           HZ2      LYS  22  63.810  11.213  10.474
  187   2HZ   LYS  22           HZ1      LYS  22  62.506  12.196  10.945
  188   3HZ   LYS  22           HZ3      LYS  22  62.407  10.513  11.130
  189    H    ALA  23           HN       ALA  23  61.624   9.137   5.618
  190    HA   ALA  23           HA       ALA  23  64.250   8.455   6.687
  191   1HB   ALA  23           HB3      ALA  23  61.997   7.349   7.129
  192   2HB   ALA  23           HB2      ALA  23  62.113   6.650   5.514
  193   3HB   ALA  23           HB1      ALA  23  63.307   6.232   6.743
  194    H    TYR  24           HN       TYR  24  62.581   7.439   3.666
  195    HA   TYR  24           HA       TYR  24  64.715   6.228   2.340
  196   1HB   TYR  24           HB2      TYR  24  62.514   6.255   1.379
  197   2HB   TYR  24           HB1      TYR  24  62.468   8.018   1.381
  198    HD1  TYR  24           HD2      TYR  24  64.191   9.272  -0.060
  199    HD2  TYR  24           HD1      TYR  24  63.328   5.090  -0.516
  200    HE1  TYR  24           HE2      TYR  24  65.172   9.318  -2.335
  201    HE2  TYR  24           HE1      TYR  24  64.312   5.135  -2.791
  202    HH   TYR  24           HH       TYR  24  66.306   7.304  -3.889
  203    H    LYS  25           HN       LYS  25  63.865   9.688   2.415
  204    HA   LYS  25           HA       LYS  25  66.169  10.527   0.854
  205   1HB   LYS  25           HB2      LYS  25  63.722  11.548   1.605
  206   2HB   LYS  25           HB1      LYS  25  64.835  12.483   2.603
  207   1HG   LYS  25           HG2      LYS  25  66.057  13.240   0.680
  208   2HG   LYS  25           HG1      LYS  25  65.219  12.101  -0.376
  209   1HD   LYS  25           HD2      LYS  25  63.205  13.612   0.919
  210   2HD   LYS  25           HD1      LYS  25  64.427  14.767   0.384
  211   1HE   LYS  25           HE2      LYS  25  63.331  14.627  -1.624
  212   2HE   LYS  25           HE1      LYS  25  64.239  13.113  -1.809
  213   1HZ   LYS  25           HZ1      LYS  25  62.340  12.169  -0.342
  214   2HZ   LYS  25           HZ3      LYS  25  61.467  13.512  -0.903
  215   3HZ   LYS  25           HZ2      LYS  25  62.082  12.376  -2.008
  216    H    ARG  26           HN       ARG  26  65.311  10.782   4.359
  217    HA   ARG  26           HA       ARG  26  67.747  12.051   5.159
  218   1HB   ARG  26           HB2      ARG  26  65.780  11.862   6.593
  219   2HB   ARG  26           HB1      ARG  26  65.926  10.104   6.607
  220   1HG   ARG  26           HG2      ARG  26  67.058  10.502   8.553
  221   2HG   ARG  26           HG1      ARG  26  68.407  10.773   7.450
  222   1HD   ARG  26           HD2      ARG  26  68.536  12.793   8.541
  223   2HD   ARG  26           HD1      ARG  26  67.224  13.244   7.433
  224    HE   ARG  26           HE       ARG  26  65.773  13.214   9.288
  225   1HH1  ARG  26          HH11      ARG  26  65.708  10.436   9.979
  226   2HH1  ARG  26          HH12      ARG  26  66.490  10.350  11.521
  227   1HH2  ARG  26          HH21      ARG  26  68.013  13.451  11.218
  228   2HH2  ARG  26          HH22      ARG  26  67.798  12.055  12.222
  229    H    LEU  27           HN       LEU  27  67.005   8.627   4.606
  230    HA   LEU  27           HA       LEU  27  69.660   7.800   5.608
  231   1HB   LEU  27           HB2      LEU  27  67.074   6.676   5.266
  232   2HB   LEU  27           HB1      LEU  27  68.188   5.741   4.267
  233    HG   LEU  27           HG       LEU  27  67.994   4.924   6.658
  234   1HD1  LEU  27          HD13      LEU  27  70.356   5.466   5.070
  235   2HD1  LEU  27          HD12      LEU  27  70.753   5.505   6.788
  236   3HD1  LEU  27          HD11      LEU  27  70.005   4.069   6.090
  237   1HD2  LEU  27          HD23      LEU  27  67.975   7.470   7.404
  238   2HD2  LEU  27          HD22      LEU  27  68.701   6.243   8.444
  239   3HD2  LEU  27          HD21      LEU  27  69.725   7.254   7.423
  240    H    ALA  28           HN       ALA  28  67.988   8.181   2.501
  241    HA   ALA  28           HA       ALA  28  70.048   6.842   0.952
  242   1HB   ALA  28           HB3      ALA  28  67.927   8.881   0.223
  243   2HB   ALA  28           HB2      ALA  28  68.822   7.886  -0.926
  244   3HB   ALA  28           HB1      ALA  28  67.712   7.131   0.219
  245    H    MET  29           HN       MET  29  69.390  10.130   2.016
  246    HA   MET  29           HA       MET  29  71.048  11.717   0.459
  247   1HB   MET  29           HB2      MET  29  69.679  12.308   2.469
  248   2HB   MET  29           HB1      MET  29  70.955  11.619   3.472
  249   1HG   MET  29           HG2      MET  29  72.477  13.300   2.936
  250   2HG   MET  29           HG1      MET  29  71.652  13.707   1.432
  251   1HE   MET  29           HE3      MET  29  72.889  14.983   3.965
  252   2HE   MET  29           HE2      MET  29  71.928  16.384   4.433
  253   3HE   MET  29           HE1      MET  29  71.823  14.898   5.375
  254    H    LYS  30           HN       LYS  30  71.935   9.646   3.158
  255    HA   LYS  30           HA       LYS  30  74.690  10.083   3.400
  256   1HB   LYS  30           HB2      LYS  30  72.642   8.158   4.058
  257   2HB   LYS  30           HB1      LYS  30  74.127   7.313   3.613
  258   1HG   LYS  30           HG2      LYS  30  74.816   7.721   5.729
  259   2HG   LYS  30           HG1      LYS  30  75.062   9.382   5.190
  260   1HD   LYS  30           HD2      LYS  30  72.328   8.518   6.080
  261   2HD   LYS  30           HD1      LYS  30  73.549   8.907   7.292
  262   1HE   LYS  30           HE2      LYS  30  73.215  10.839   5.034
  263   2HE   LYS  30           HE1      LYS  30  71.956  10.810   6.284
  264   1HZ   LYS  30           HZ3      LYS  30  74.808  10.755   7.032
  265   2HZ   LYS  30           HZ2      LYS  30  74.047  12.235   6.690
  266   3HZ   LYS  30           HZ1      LYS  30  73.474  11.255   7.954
  267    H    TYR  31           HN       TYR  31  72.900   8.698   0.794
  268    HA   TYR  31           HA       TYR  31  75.488   7.900  -0.514
  269   1HB   TYR  31           HB2      TYR  31  72.926   6.301  -0.654
  270   2HB   TYR  31           HB1      TYR  31  74.550   5.789  -1.121
  271    HD1  TYR  31           HD2      TYR  31  76.348   6.228   0.900
  272    HD2  TYR  31           HD1      TYR  31  72.153   5.427   1.358
  273    HE1  TYR  31           HE2      TYR  31  76.759   5.398   3.200
  274    HE2  TYR  31           HE1      TYR  31  72.563   4.599   3.662
  275    HH   TYR  31           HH       TYR  31  75.634   3.846   4.822
  276    H    HIS  32           HN       HIS  32  72.286   9.250  -0.841
  277    HA   HIS  32           HA       HIS  32  71.417   9.125  -3.371
  278   1HB   HIS  32           HB2      HIS  32  71.828  11.307  -1.430
  279   2HB   HIS  32           HB1      HIS  32  71.531  11.846  -3.086
  280    HD1  HIS  32           HD1      HIS  32  69.305  12.472  -1.206
  281    HD2  HIS  32           HD2      HIS  32  69.550   8.777  -3.121
  282    HE1  HIS  32           HE1      HIS  32  66.966  11.501  -1.190
  283    HA   PRO  33           HA       PRO  33  75.197   9.582  -5.768
  284   1HB   PRO  33           HB2      PRO  33  73.915   9.219  -8.190
  285   2HB   PRO  33           HB1      PRO  33  74.410   7.889  -7.126
  286   1HG   PRO  33           HG2      PRO  33  71.748   9.234  -7.343
  287   2HG   PRO  33           HG1      PRO  33  72.131   7.500  -7.323
  288   1HD   PRO  33           HD2      PRO  33  71.290   8.672  -5.115
  289   2HD   PRO  33           HD1      PRO  33  72.637   7.511  -5.036
  290    H    ASP  34           HN       ASP  34  74.608  10.823  -8.463
  291    HA   ASP  34           HA       ASP  34  74.331  13.012  -9.366
  292   1HB   ASP  34           HB2      ASP  34  72.383  12.697  -7.345
  293   2HB   ASP  34           HB1      ASP  34  73.179  14.227  -6.972
  294    H    ARG  35           HN       ARG  35  74.751  13.359  -5.854
  295    HA   ARG  35           HA       ARG  35  77.126  15.093  -6.223
  296   1HB   ARG  35           HB2      ARG  35  76.596  15.686  -3.951
  297   2HB   ARG  35           HB1      ARG  35  75.047  15.559  -4.771
  298   1HG   ARG  35           HG2      ARG  35  74.972  13.135  -3.968
  299   2HG   ARG  35           HG1      ARG  35  76.349  13.530  -2.935
  300   1HD   ARG  35           HD2      ARG  35  73.670  14.970  -2.901
  301   2HD   ARG  35           HD1      ARG  35  74.238  13.813  -1.681
  302    HE   ARG  35           HE       ARG  35  76.206  15.418  -1.358
  303   1HH1  ARG  35          HH21      ARG  35  74.379  16.914  -3.632
  304   2HH1  ARG  35          HH22      ARG  35  74.022  18.342  -2.719
  305   1HH2  ARG  35          HH11      ARG  35  75.230  17.055   0.267
  306   2HH2  ARG  35          HH12      ARG  35  74.505  18.422  -0.513
  307    H    ASN  36           HN       ASN  36  76.031  11.956  -5.221
  308    HA   ASN  36           HA       ASN  36  78.607  11.238  -3.938
  309   1HB   ASN  36           HB2      ASN  36  75.783  10.213  -4.053
  310   2HB   ASN  36           HB1      ASN  36  77.076   9.097  -3.629
  311   1HD2  ASN  36          HD22      ASN  36  77.558  10.408  -0.404
  312   2HD2  ASN  36          HD21      ASN  36  78.021   9.253  -1.558
  313    H    GLN  37           HN       GLN  37  78.302  11.530  -6.987
  314    HA   GLN  37           HA       GLN  37  78.307   8.808  -8.008
  315   1HB   GLN  37           HB2      GLN  37  79.030  11.524  -9.093
  316   2HB   GLN  37           HB1      GLN  37  79.274  10.062 -10.050
  317   1HG   GLN  37           HG2      GLN  37  76.943   9.517  -9.979
  318   2HG   GLN  37           HG1      GLN  37  76.624  10.748  -8.758
  319   1HE2  GLN  37          HE22      GLN  37  76.672  13.457 -11.111
  320   2HE2  GLN  37          HE21      GLN  37  76.915  13.069  -9.475
  321    H    GLY  38           HN       GLY  38  80.500  10.365  -6.077
  322   1HA   GLY  38           HA2      GLY  38  83.022   9.825  -7.278
  323   2HA   GLY  38           HA1      GLY  38  82.733   9.856  -5.533
  324    H    ASP  39           HN       ASP  39  80.549   7.783  -6.051
  325    HA   ASP  39           HA       ASP  39  82.272   5.380  -6.501
  326   1HB   ASP  39           HB2      ASP  39  81.772   6.107  -4.052
  327   2HB   ASP  39           HB1      ASP  39  80.125   5.567  -4.384
  328    H    LYS  40           HN       LYS  40  79.000   6.757  -6.318
  329    HA   LYS  40           HA       LYS  40  77.061   6.296  -7.566
  330   1HB   LYS  40           HB2      LYS  40  78.961   4.657  -9.149
  331   2HB   LYS  40           HB1      LYS  40  77.476   5.373  -9.744
  332   1HG   LYS  40           HG2      LYS  40  78.391   7.593  -9.371
  333   2HG   LYS  40           HG1      LYS  40  79.842   6.903  -8.650
  334   1HD   LYS  40           HD2      LYS  40  79.357   5.752 -11.263
  335   2HD   LYS  40           HD1      LYS  40  79.453   7.512 -11.363
  336   1HE   LYS  40           HE2      LYS  40  81.615   7.529 -10.267
  337   2HE   LYS  40           HE1      LYS  40  81.501   5.791  -9.926
  338   1HZ   LYS  40           HZ2      LYS  40  80.968   6.096 -12.629
  339   2HZ   LYS  40           HZ1      LYS  40  82.325   7.071 -12.319
  340   3HZ   LYS  40           HZ3      LYS  40  82.362   5.421 -11.929
  341    H    GLU  41           HN       GLU  41  78.693   4.100  -5.783
  342    HA   GLU  41           HA       GLU  41  77.358   1.615  -6.443
  343   1HB   GLU  41           HB2      GLU  41  79.419   2.574  -4.758
  344   2HB   GLU  41           HB1      GLU  41  78.222   1.836  -3.692
  345   1HG   GLU  41           HG2      GLU  41  78.605  -0.262  -4.495
  346   2HG   GLU  41           HG1      GLU  41  78.820   0.305  -6.152
  347    H    ALA  42           HN       ALA  42  76.197   4.471  -5.127
  348    HA   ALA  42           HA       ALA  42  74.358   3.318  -3.145
  349   1HB   ALA  42           HB2      ALA  42  75.455   5.627  -3.127
  350   2HB   ALA  42           HB1      ALA  42  74.360   6.061  -4.440
  351   3HB   ALA  42           HB3      ALA  42  73.712   5.624  -2.858
  352    H    GLU  43           HN       GLU  43  74.365   4.212  -6.529
  353    HA   GLU  43           HA       GLU  43  71.681   4.516  -7.194
  354   1HB   GLU  43           HB2      GLU  43  73.545   4.647  -8.763
  355   2HB   GLU  43           HB1      GLU  43  73.893   2.932  -8.542
  356   1HG   GLU  43           HG2      GLU  43  71.110   3.536  -9.336
  357   2HG   GLU  43           HG1      GLU  43  72.326   3.929 -10.551
  358    H    ALA  44           HN       ALA  44  73.414   1.541  -6.358
  359    HA   ALA  44           HA       ALA  44  71.199  -0.266  -6.972
  360   1HB   ALA  44           HB2      ALA  44  73.881  -0.500  -6.592
  361   2HB   ALA  44           HB1      ALA  44  73.311  -0.967  -4.989
  362   3HB   ALA  44           HB3      ALA  44  72.770  -1.858  -6.412
  363    H    LYS  45           HN       LYS  45  72.393   1.441  -4.074
  364    HA   LYS  45           HA       LYS  45  70.879   0.147  -2.099
  365   1HB   LYS  45           HB2      LYS  45  72.308   2.590  -2.445
  366   2HB   LYS  45           HB1      LYS  45  70.754   2.982  -1.693
  367   1HG   LYS  45           HG2      LYS  45  71.484   2.156   0.261
  368   2HG   LYS  45           HG1      LYS  45  71.740   0.583  -0.500
  369   1HD   LYS  45           HD2      LYS  45  73.791   2.494  -1.274
  370   2HD   LYS  45           HD1      LYS  45  73.731   2.276   0.476
  371   1HE   LYS  45           HE2      LYS  45  73.645  -0.273  -0.057
  372   2HE   LYS  45           HE1      LYS  45  74.239   0.203  -1.660
  373   1HZ   LYS  45           HZ1      LYS  45  75.467   1.166   0.860
  374   2HZ   LYS  45           HZ3      LYS  45  76.007  -0.229   0.061
  375   3HZ   LYS  45           HZ2      LYS  45  76.094   1.279  -0.715
  376    H    PHE  46           HN       PHE  46  69.818   2.229  -4.711
  377    HA   PHE  46           HA       PHE  46  67.218   2.931  -3.739
  378   1HB   PHE  46           HB2      PHE  46  68.507   2.442  -6.427
  379   2HB   PHE  46           HB1      PHE  46  66.780   2.778  -6.339
  380    HD1  PHE  46           HD2      PHE  46  68.508   4.308  -3.625
  381    HD2  PHE  46           HD1      PHE  46  67.602   4.801  -7.796
  382    HE1  PHE  46           HE2      PHE  46  68.986   6.733  -3.443
  383    HE2  PHE  46           HE1      PHE  46  68.081   7.227  -7.613
  384    HZ   PHE  46           HZ       PHE  46  68.773   8.192  -5.436
  385    H    LYS  47           HN       LYS  47  68.605  -0.013  -4.972
  386    HA   LYS  47           HA       LYS  47  66.127  -1.411  -5.339
  387   1HB   LYS  47           HB2      LYS  47  67.576  -3.132  -6.072
  388   2HB   LYS  47           HB1      LYS  47  68.567  -1.707  -6.357
  389   1HG   LYS  47           HG2      LYS  47  70.130  -2.490  -4.967
  390   2HG   LYS  47           HG1      LYS  47  68.967  -2.610  -3.649
  391   1HD   LYS  47           HD2      LYS  47  68.989  -4.641  -5.858
  392   2HD   LYS  47           HD1      LYS  47  70.110  -4.781  -4.503
  393   1HE   LYS  47           HE2      LYS  47  67.753  -4.276  -3.191
  394   2HE   LYS  47           HE1      LYS  47  67.194  -5.238  -4.576
  395   1HZ   LYS  47           HZ1      LYS  47  69.436  -6.529  -3.926
  396   2HZ   LYS  47           HZ3      LYS  47  68.952  -6.000  -2.389
  397   3HZ   LYS  47           HZ2      LYS  47  67.905  -6.958  -3.324
  398    H    GLU  48           HN       GLU  48  68.085  -0.473  -2.721
  399    HA   GLU  48           HA       GLU  48  67.137  -2.617  -0.969
  400   1HB   GLU  48           HB2      GLU  48  69.012  -0.267  -0.664
  401   2HB   GLU  48           HB1      GLU  48  68.581  -1.304   0.696
  402   1HG   GLU  48           HG2      GLU  48  69.365  -2.852  -1.648
  403   2HG   GLU  48           HG1      GLU  48  70.647  -1.760  -1.120
  404    H    ILE  49           HN       ILE  49  66.690   0.829  -1.537
  405    HA   ILE  49           HA       ILE  49  64.523   0.831   0.531
  406    HB   ILE  49           HB       ILE  49  66.063   3.074  -0.798
  407   1HG1  ILE  49          HG12      ILE  49  66.611   3.019   1.941
  408   2HG1  ILE  49          HG11      ILE  49  66.694   1.327   1.431
  409   1HG2  ILE  49          HG23      ILE  49  63.643   3.368   0.132
  410   2HG2  ILE  49          HG22      ILE  49  64.435   3.292   1.707
  411   3HG2  ILE  49          HG21      ILE  49  64.884   4.549   0.554
  412   1HD1  ILE  49          HD13      ILE  49  67.915   3.309  -0.399
  413   2HD1  ILE  49          HD12      ILE  49  68.755   3.040   1.128
  414   3HD1  ILE  49          HD11      ILE  49  68.461   1.690   0.033
  415    H    LYS  50           HN       LYS  50  65.406   1.888  -2.768
  416    HA   LYS  50           HA       LYS  50  62.739   2.887  -3.261
  417   1HB   LYS  50           HB2      LYS  50  65.220   3.201  -4.381
  418   2HB   LYS  50           HB1      LYS  50  64.472   2.104  -5.544
  419   1HG   LYS  50           HG2      LYS  50  62.471   3.695  -5.547
  420   2HG   LYS  50           HG1      LYS  50  63.503   4.836  -4.683
  421   1HD   LYS  50           HD2      LYS  50  64.257   5.505  -6.701
  422   2HD   LYS  50           HD1      LYS  50  65.095   3.956  -6.800
  423   1HE   LYS  50           HE2      LYS  50  62.792   3.045  -7.664
  424   2HE   LYS  50           HE1      LYS  50  62.458   4.751  -8.020
  425   1HZ   LYS  50           HZ1      LYS  50  65.010   3.461  -8.783
  426   2HZ   LYS  50           HZ3      LYS  50  63.661   3.437  -9.812
  427   3HZ   LYS  50           HZ2      LYS  50  64.355   4.920  -9.357
  428    H    GLU  51           HN       GLU  51  64.346  -0.220  -3.481
  429    HA   GLU  51           HA       GLU  51  62.176  -1.342  -5.179
  430   1HB   GLU  51           HB2      GLU  51  64.148  -2.363  -5.759
  431   2HB   GLU  51           HB1      GLU  51  64.877  -1.932  -4.233
  432   1HG   GLU  51           HG2      GLU  51  64.775  -4.309  -4.238
  433   2HG   GLU  51           HG1      GLU  51  63.488  -3.776  -3.162
  434    H    ALA  52           HN       ALA  52  63.291  -1.125  -1.883
  435    HA   ALA  52           HA       ALA  52  61.352  -3.070  -0.797
  436   1HB   ALA  52           HB2      ALA  52  63.425  -1.160   0.318
  437   2HB   ALA  52           HB1      ALA  52  62.439  -2.193   1.345
  438   3HB   ALA  52           HB3      ALA  52  63.558  -2.915   0.189
  439    H    TYR  53           HN       TYR  53  62.102   0.367  -0.286
  440    HA   TYR  53           HA       TYR  53  59.603   0.988   1.008
  441   1HB   TYR  53           HB2      TYR  53  60.892   2.741   1.579
  442   2HB   TYR  53           HB1      TYR  53  62.168   2.063   0.599
  443    HD1  TYR  53           HD1      TYR  53  61.246   2.514  -2.152
  444    HD2  TYR  53           HD2      TYR  53  60.899   5.022   1.313
  445    HE1  TYR  53           HE1      TYR  53  61.234   4.511  -3.604
  446    HE2  TYR  53           HE2      TYR  53  60.870   7.023  -0.139
  447    HH   TYR  53           HH       TYR  53  60.660   6.758  -3.630
  448    H    GLU  54           HN       GLU  54  60.207   0.272  -2.190
  449    HA   GLU  54           HA       GLU  54  58.696   2.274  -3.586
  450   1HB   GLU  54           HB2      GLU  54  59.702   1.005  -5.177
  451   2HB   GLU  54           HB1      GLU  54  59.948  -0.322  -4.047
  452   1HG   GLU  54           HG2      GLU  54  57.693  -1.153  -4.471
  453   2HG   GLU  54           HG1      GLU  54  57.342   0.238  -5.498
  454    H    VAL  55           HN       VAL  55  57.798  -0.582  -1.725
  455    HA   VAL  55           HA       VAL  55  54.957  -0.176  -2.498
  456    HB   VAL  55           HB       VAL  55  54.882  -2.424  -2.458
  457   1HG1  VAL  55          HG13      VAL  55  57.416  -2.129  -2.892
  458   2HG1  VAL  55          HG12      VAL  55  57.600  -2.726  -1.242
  459   3HG1  VAL  55          HG11      VAL  55  56.805  -3.724  -2.459
  460   1HG2  VAL  55          HG23      VAL  55  55.709  -2.066   0.420
  461   2HG2  VAL  55          HG22      VAL  55  54.121  -2.488  -0.219
  462   3HG2  VAL  55          HG21      VAL  55  55.429  -3.661  -0.267
  463    H    LEU  56           HN       LEU  56  57.008   0.979  -0.245
  464    HA   LEU  56           HA       LEU  56  55.409   0.722   2.174
  465   1HB   LEU  56           HB2      LEU  56  57.855   2.031   1.150
  466   2HB   LEU  56           HB1      LEU  56  57.096   2.825   2.536
  467    HG   LEU  56           HG       LEU  56  57.185   0.765   3.824
  468   1HD1  LEU  56          HD13      LEU  56  56.824  -0.659   1.707
  469   2HD1  LEU  56          HD12      LEU  56  58.572  -0.573   1.505
  470   3HD1  LEU  56          HD11      LEU  56  57.887  -1.319   2.948
  471   1HD2  LEU  56          HD23      LEU  56  59.578   1.958   2.621
  472   2HD2  LEU  56          HD22      LEU  56  59.250   1.568   4.308
  473   3HD2  LEU  56          HD21      LEU  56  59.848   0.319   3.216
  474    H    THR  57           HN       THR  57  54.825   2.324  -0.661
  475    HA   THR  57           HA       THR  57  53.458   4.636   0.673
  476    HB   THR  57           HB       THR  57  54.487   5.868  -0.944
  477    HG1  THR  57           HG1      THR  57  53.934   5.316  -3.179
  478   1HG2  THR  57          HG23      THR  57  56.240   4.065  -0.898
  479   2HG2  THR  57          HG22      THR  57  55.407   3.283  -2.241
  480   3HG2  THR  57          HG21      THR  57  56.117   4.883  -2.457
  481    H    ASP  58           HN       ASP  58  53.134   1.816  -1.323
  482    HA   ASP  58           HA       ASP  58  50.330   2.467  -2.067
  483   1HB   ASP  58           HB2      ASP  58  52.212   1.557  -3.593
  484   2HB   ASP  58           HB1      ASP  58  51.965   0.016  -2.763
  485    H    SER  59           HN       SER  59  48.718   0.653  -1.770
  486    HA   SER  59           HA       SER  59  49.150  -0.714   0.863
  487   1HB   SER  59           HB2      SER  59  46.454  -0.792   0.294
  488   2HB   SER  59           HB1      SER  59  47.238   0.471   1.238
  489    HG   SER  59           HG       SER  59  46.752   0.452  -1.562
  490    H    GLN  60           HN       GLN  60  48.181  -1.138  -2.497
  491    HA   GLN  60           HA       GLN  60  47.239  -3.847  -2.374
  492   1HB   GLN  60           HB2      GLN  60  47.635  -3.724  -4.802
  493   2HB   GLN  60           HB1      GLN  60  46.948  -2.200  -4.230
  494   1HG   GLN  60           HG2      GLN  60  49.476  -1.532  -3.891
  495   2HG   GLN  60           HG1      GLN  60  49.765  -2.803  -5.079
  496   1HE2  GLN  60          HE22      GLN  60  47.550   0.466  -6.265
  497   2HE2  GLN  60          HE21      GLN  60  47.491  -0.026  -4.642
  498    H    LYS  61           HN       LYS  61  50.448  -2.422  -2.511
  499    HA   LYS  61           HA       LYS  61  51.781  -4.957  -3.145
  500   1HB   LYS  61           HB2      LYS  61  53.039  -2.385  -2.185
  501   2HB   LYS  61           HB1      LYS  61  53.702  -3.578  -3.300
  502   1HG   LYS  61           HG2      LYS  61  51.926  -2.949  -4.952
  503   2HG   LYS  61           HG1      LYS  61  51.406  -1.671  -3.852
  504   1HD   LYS  61           HD2      LYS  61  53.046  -0.309  -4.574
  505   2HD   LYS  61           HD1      LYS  61  54.268  -1.533  -4.223
  506   1HE   LYS  61           HE2      LYS  61  54.094  -2.495  -6.391
  507   2HE   LYS  61           HE1      LYS  61  52.544  -1.691  -6.710
  508   1HZ   LYS  61           HZ3      LYS  61  53.881   0.446  -6.265
  509   2HZ   LYS  61           HZ2      LYS  61  55.247  -0.515  -6.581
  510   3HZ   LYS  61           HZ1      LYS  61  54.053  -0.313  -7.772
  511    H    ARG  62           HN       ARG  62  51.475  -2.697  -0.403
  512    HA   ARG  62           HA       ARG  62  53.089  -3.916   1.509
  513   1HB   ARG  62           HB2      ARG  62  50.311  -2.704   1.705
  514   2HB   ARG  62           HB1      ARG  62  51.321  -3.046   3.110
  515   1HG   ARG  62           HG2      ARG  62  52.205  -1.307   0.796
  516   2HG   ARG  62           HG1      ARG  62  51.486  -0.672   2.277
  517   1HD   ARG  62           HD2      ARG  62  54.070  -2.256   2.043
  518   2HD   ARG  62           HD1      ARG  62  53.889  -0.567   2.559
  519    HE   ARG  62           HE       ARG  62  53.470  -2.855   4.250
  520   1HH1  ARG  62          HH21      ARG  62  52.625   0.404   3.588
  521   2HH1  ARG  62          HH22      ARG  62  51.710   0.610   5.043
  522   1HH2  ARG  62          HH11      ARG  62  52.089  -2.681   6.063
  523   2HH2  ARG  62          HH12      ARG  62  51.407  -1.136   6.444
  524    H    ALA  63           HN       ALA  63  50.088  -5.033   0.101
  525    HA   ALA  63           HA       ALA  63  49.699  -7.209   2.050
  526   1HB   ALA  63           HB3      ALA  63  48.410  -6.199  -0.481
  527   2HB   ALA  63           HB2      ALA  63  47.992  -7.801   0.127
  528   3HB   ALA  63           HB1      ALA  63  47.699  -6.376   1.123
  529    H    ALA  64           HN       ALA  64  50.984  -6.682  -1.187
  530    HA   ALA  64           HA       ALA  64  51.546  -9.508  -1.739
  531   1HB   ALA  64           HB3      ALA  64  51.964  -6.805  -2.963
  532   2HB   ALA  64           HB2      ALA  64  53.045  -8.095  -3.489
  533   3HB   ALA  64           HB1      ALA  64  51.302  -8.265  -3.698
  534    H    TYR  65           HN       TYR  65  53.611  -6.646  -1.415
  535    HA   TYR  65           HA       TYR  65  56.069  -7.977  -0.972
  536   1HB   TYR  65           HB2      TYR  65  54.907  -5.372  -0.989
  537   2HB   TYR  65           HB1      TYR  65  55.869  -5.507   0.478
  538    HD1  TYR  65           HD2      TYR  65  56.197  -6.791  -3.037
  539    HD2  TYR  65           HD1      TYR  65  58.023  -4.677   0.225
  540    HE1  TYR  65           HE2      TYR  65  58.273  -6.525  -4.371
  541    HE2  TYR  65           HE1      TYR  65  60.099  -4.412  -1.108
  542    HH   TYR  65           HH       TYR  65  60.615  -4.364  -3.709
  543    H    ASP  66           HN       ASP  66  53.315  -7.545   1.069
  544    HA   ASP  66           HA       ASP  66  54.399  -7.481   3.639
  545   1HB   ASP  66           HB2      ASP  66  52.165  -7.611   4.008
  546   2HB   ASP  66           HB1      ASP  66  51.925  -8.074   2.328
  547    H    GLN  67           HN       GLN  67  54.102 -10.216   1.395
  548    HA   GLN  67           HA       GLN  67  55.974 -11.757   3.157
  549   1HB   GLN  67           HB2      GLN  67  54.449 -13.746   2.640
  550   2HB   GLN  67           HB1      GLN  67  53.789 -12.529   3.735
  551   1HG   GLN  67           HG2      GLN  67  52.408 -11.595   2.060
  552   2HG   GLN  67           HG1      GLN  67  53.317 -12.368   0.760
  553   1HE2  GLN  67          HE22      GLN  67  51.174 -15.053   3.001
  554   2HE2  GLN  67          HE21      GLN  67  52.215 -13.955   3.769
  555    H    TYR  68           HN       TYR  68  55.262 -10.636   0.045
  556    HA   TYR  68           HA       TYR  68  56.675 -12.925  -1.262
  557   1HB   TYR  68           HB2      TYR  68  54.466 -11.161  -1.898
  558   2HB   TYR  68           HB1      TYR  68  55.698 -11.079  -3.161
  559    HD1  TYR  68           HD1      TYR  68  55.015 -14.010  -0.980
  560    HD2  TYR  68           HD2      TYR  68  54.585 -12.295  -4.895
  561    HE1  TYR  68           HE1      TYR  68  54.261 -16.205  -1.858
  562    HE2  TYR  68           HE2      TYR  68  53.833 -14.489  -5.772
  563    HH   TYR  68           HH       TYR  68  52.751 -16.932  -3.928
  564    H    GLY  69           HN       GLY  69  57.817 -11.803  -3.415
  565   1HA   GLY  69           HA2      GLY  69  59.066  -9.327  -3.339
  566   2HA   GLY  69           HA1      GLY  69  60.072 -10.346  -2.308
  567    H    HIS  70           HN       HIS  70  58.476 -10.555  -5.517
  568    HA   HIS  70           HA       HIS  70  59.383 -11.237  -7.591
  569   1HB   HIS  70           HB2      HIS  70  61.523 -10.191  -6.004
  570   2HB   HIS  70           HB1      HIS  70  62.118 -11.604  -6.874
  571    HD1  HIS  70           HD1      HIS  70  60.657 -11.425  -9.509
  572    HD2  HIS  70           HD2      HIS  70  62.254  -8.067  -7.625
  573    HE1  HIS  70           HE1      HIS  70  61.004  -9.686 -11.318
  574    H    ALA  71           HN       ALA  71  58.233 -13.296  -7.082
  575    HA   ALA  71           HA       ALA  71  58.196 -15.656  -6.848
  576   1HB   ALA  71           HB3      ALA  71  60.813 -14.849  -8.081
  577   2HB   ALA  71           HB2      ALA  71  60.513 -16.553  -7.740
  578   3HB   ALA  71           HB1      ALA  71  59.440 -15.669  -8.827
  579    H    ALA  72           HN       ALA  72  59.288 -13.914  -4.568
  580    HA   ALA  72           HA       ALA  72  61.427 -14.801  -3.129
  581   1HB   ALA  72           HB1      ALA  72  59.218 -13.361  -2.604
  582   2HB   ALA  72           HB3      ALA  72  58.816 -14.813  -1.690
  583   3HB   ALA  72           HB2      ALA  72  60.293 -13.922  -1.325
  584    H    PHE  73           HN       PHE  73  58.289 -16.550  -3.180
  585    HA   PHE  73           HA       PHE  73  59.608 -18.893  -1.907
  586   1HB   PHE  73           HB2      PHE  73  57.034 -17.653  -1.902
  587   2HB   PHE  73           HB1      PHE  73  56.841 -19.284  -2.544
  588    HD1  PHE  73           HD1      PHE  73  59.081 -20.670  -1.117
  589    HD2  PHE  73           HD2      PHE  73  56.153 -17.860   0.296
  590    HE1  PHE  73           HE1      PHE  73  59.291 -21.598   1.173
  591    HE2  PHE  73           HE2      PHE  73  56.366 -18.790   2.585
  592    HZ   PHE  73           HZ       PHE  73  57.936 -20.658   3.023
  593    H    GLU  74           HN       GLU  74  57.082 -18.765  -4.421
  594    HA   GLU  74           HA       GLU  74  56.991 -19.788  -6.554
  595   1HB   GLU  74           HB2      GLU  74  59.662 -18.972  -6.088
  596   2HB   GLU  74           HB1      GLU  74  59.757 -20.608  -6.743
  597   1HG   GLU  74           HG2      GLU  74  58.373 -18.212  -7.974
  598   2HG   GLU  74           HG1      GLU  74  59.745 -19.111  -8.624
  599    H    GLN  75           HN       GLN  75  59.533 -21.566  -4.743
  600    HA   GLN  75           HA       GLN  75  58.643 -24.157  -5.619
  601   1HB   GLN  75           HB2      GLN  75  60.389 -23.104  -3.386
  602   2HB   GLN  75           HB1      GLN  75  60.147 -24.833  -3.640
  603   1HG   GLN  75           HG2      GLN  75  61.564 -24.856  -5.395
  604   2HG   GLN  75           HG1      GLN  75  60.764 -23.469  -6.137
  605   1HE2  GLN  75          HE22      GLN  75  64.191 -22.926  -4.019
  606   2HE2  GLN  75          HE21      GLN  75  63.488 -24.463  -4.169
  607    H    GLY  76           HN       GLY  76  58.779 -23.300  -2.177
  608   1HA   GLY  76           HA2      GLY  76  56.751 -25.049  -1.344
  609   2HA   GLY  76           HA1      GLY  76  57.194 -23.586  -0.463
  610    H    GLY  77           HN       GLY  77  56.459 -22.034  -3.019
  611   1HA   GLY  77           HA2      GLY  77  54.357 -21.516  -4.166
  612   2HA   GLY  77           HA1      GLY  77  53.493 -22.287  -2.835
   
  No H/Q in entry =         612
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1  68.489 -15.461   6.557
    2   2H    ALA   1           HT3      ALA   1  69.626 -15.191   5.327
    3   3H    ALA   1           HT2      ALA   1  70.086 -15.037   6.955
    4    HA   ALA   1           HA       ALA   1  69.250 -12.961   7.153
    5   1HB   ALA   1           HB2      ALA   1  69.471 -13.443   4.164
    6   2HB   ALA   1           HB1      ALA   1  69.394 -11.842   4.898
    7   3HB   ALA   1           HB3      ALA   1  70.758 -12.905   5.244
    8    H    LYS   2           HN       LYS   2  67.232 -12.266   7.731
    9    HA   LYS   2           HA       LYS   2  64.999 -12.505   5.780
   10   1HB   LYS   2           HB2      LYS   2  65.304 -14.491   7.497
   11   2HB   LYS   2           HB1      LYS   2  64.571 -13.354   8.630
   12   1HG   LYS   2           HG2      LYS   2  63.224 -13.557   6.003
   13   2HG   LYS   2           HG1      LYS   2  63.132 -15.003   7.008
   14   1HD   LYS   2           HD2      LYS   2  62.477 -13.361   8.919
   15   2HD   LYS   2           HD1      LYS   2  62.133 -12.226   7.613
   16   1HE   LYS   2           HE2      LYS   2  61.013 -15.002   7.401
   17   2HE   LYS   2           HE1      LYS   2  60.223 -13.846   8.491
   18   1HZ   LYS   2           HZ3      LYS   2  61.024 -13.035   5.770
   19   2HZ   LYS   2           HZ2      LYS   2  59.551 -13.844   6.020
   20   3HZ   LYS   2           HZ1      LYS   2  59.847 -12.352   6.779
   21    H    GLN   3           HN       GLN   3  65.924 -10.086   6.107
   22    HA   GLN   3           HA       GLN   3  64.506  -8.799   8.411
   23   1HB   GLN   3           HB2      GLN   3  66.633  -7.718   6.536
   24   2HB   GLN   3           HB1      GLN   3  66.090  -6.986   8.046
   25   1HG   GLN   3           HG2      GLN   3  66.802  -9.611   8.732
   26   2HG   GLN   3           HG1      GLN   3  68.072  -9.064   7.636
   27   1HE2  GLN   3          HE22      GLN   3  68.599  -7.912  11.277
   28   2HE2  GLN   3          HE21      GLN   3  68.071  -9.413  10.685
   29    H    ASP   4           HN       ASP   4  62.640  -7.793   7.941
   30    HA   ASP   4           HA       ASP   4  61.414  -7.579   5.418
   31   1HB   ASP   4           HB2      ASP   4  60.438  -7.348   7.726
   32   2HB   ASP   4           HB1      ASP   4  61.151  -5.737   7.815
   33    H    TYR   5           HN       TYR   5  60.929  -5.450   4.245
   34    HA   TYR   5           HA       TYR   5  63.457  -3.902   3.981
   35   1HB   TYR   5           HB2      TYR   5  61.457  -3.141   2.061
   36   2HB   TYR   5           HB1      TYR   5  62.988  -3.964   1.783
   37    HD1  TYR   5           HD2      TYR   5  59.368  -4.418   2.384
   38    HD2  TYR   5           HD1      TYR   5  63.097  -6.362   1.512
   39    HE1  TYR   5           HE2      TYR   5  58.147  -6.486   1.767
   40    HE2  TYR   5           HE1      TYR   5  61.878  -8.427   0.893
   41    HH   TYR   5           HH       TYR   5  59.745  -9.491   1.290
   42    H    TYR   6           HN       TYR   6  60.573  -3.652   5.628
   43    HA   TYR   6           HA       TYR   6  60.085  -0.784   5.270
   44   1HB   TYR   6           HB2      TYR   6  58.536  -2.805   5.928
   45   2HB   TYR   6           HB1      TYR   6  59.112  -2.456   7.556
   46    HD1  TYR   6           HD1      TYR   6  59.454   0.642   6.468
   47    HD2  TYR   6           HD2      TYR   6  56.257  -2.196   6.897
   48    HE1  TYR   6           HE1      TYR   6  57.829   2.503   6.672
   49    HE2  TYR   6           HE2      TYR   6  54.634  -0.334   7.096
   50    HH   TYR   6           HH       TYR   6  55.668   2.981   7.421
   51    H    GLU   7           HN       GLU   7  62.091  -2.826   7.207
   52    HA   GLU   7           HA       GLU   7  62.627  -0.742   9.227
   53   1HB   GLU   7           HB2      GLU   7  63.783  -3.501   8.681
   54   2HB   GLU   7           HB1      GLU   7  64.158  -2.520  10.099
   55   1HG   GLU   7           HG2      GLU   7  61.394  -2.511  10.077
   56   2HG   GLU   7           HG1      GLU   7  61.783  -4.143   9.530
   57    H    ILE   8           HN       ILE   8  64.056  -2.162   6.341
   58    HA   ILE   8           HA       ILE   8  66.716  -1.318   6.466
   59    HB   ILE   8           HB       ILE   8  64.762  -2.195   4.533
   60   1HG1  ILE   8          HG12      ILE   8  67.122  -2.725   3.377
   61   2HG1  ILE   8          HG11      ILE   8  67.705  -2.324   4.994
   62   1HG2  ILE   8          HG23      ILE   8  64.983   0.095   3.582
   63   2HG2  ILE   8          HG22      ILE   8  66.727  -0.139   3.468
   64   3HG2  ILE   8          HG21      ILE   8  65.639  -1.138   2.504
   65   1HD1  ILE   8          HD13      ILE   8  65.335  -4.085   4.943
   66   2HD1  ILE   8          HD12      ILE   8  66.797  -4.798   4.264
   67   3HD1  ILE   8          HD11      ILE   8  66.799  -4.196   5.920
   68    H    LEU   9           HN       LEU   9  63.825   0.628   5.783
   69    HA   LEU   9           HA       LEU   9  65.408   2.995   5.044
   70   1HB   LEU   9           HB2      LEU   9  62.475   2.445   5.583
   71   2HB   LEU   9           HB1      LEU   9  63.091   4.000   5.021
   72    HG   LEU   9           HG       LEU   9  64.114   1.770   3.437
   73   1HD1  LEU   9          HD11      LEU   9  61.127   2.276   3.502
   74   2HD1  LEU   9          HD13      LEU   9  61.964   1.291   2.303
   75   3HD1  LEU   9          HD12      LEU   9  61.929   0.784   3.992
   76   1HD2  LEU   9          HD22      LEU   9  64.135   4.267   2.940
   77   2HD2  LEU   9          HD21      LEU   9  63.546   3.245   1.630
   78   3HD2  LEU   9          HD23      LEU   9  62.402   4.136   2.633
   79    H    GLY  10           HN       GLY  10  65.455   1.630   7.874
   80   1HA   GLY  10           HA2      GLY  10  65.632   2.381  10.088
   81   2HA   GLY  10           HA1      GLY  10  65.899   3.985   9.398
   82    H    VAL  11           HN       VAL  11  62.992   2.452   8.434
   83    HA   VAL  11           HA       VAL  11  61.387   4.482   9.830
   84    HB   VAL  11           HB       VAL  11  60.504   2.113   8.162
   85   1HG1  VAL  11          HG13      VAL  11  59.277   4.631   9.177
   86   2HG1  VAL  11          HG12      VAL  11  58.813   4.104   7.561
   87   3HG1  VAL  11          HG11      VAL  11  58.552   3.042   8.941
   88   1HG2  VAL  11          HG22      VAL  11  62.328   3.693   7.149
   89   2HG2  VAL  11          HG21      VAL  11  60.897   3.316   6.192
   90   3HG2  VAL  11          HG23      VAL  11  61.008   4.858   7.041
   91    H    SER  12           HN       SER  12  59.260   3.587  10.833
   92    HA   SER  12           HA       SER  12  59.993   1.519  12.815
   93   1HB   SER  12           HB2      SER  12  59.102   3.728  13.523
   94   2HB   SER  12           HB1      SER  12  57.634   3.402  12.607
   95    HG   SER  12           HG       SER  12  57.156   2.713  14.611
   96    H    LYS  13           HN       LYS  13  58.930   1.361   9.831
   97    HA   LYS  13           HA       LYS  13  57.354   0.128   8.620
   98   1HB   LYS  13           HB2      LYS  13  57.846  -2.093   8.892
   99   2HB   LYS  13           HB1      LYS  13  59.095  -1.425   9.938
  100   1HG   LYS  13           HG2      LYS  13  57.558  -1.693  11.894
  101   2HG   LYS  13           HG1      LYS  13  56.373  -2.441  10.825
  102   1HD   LYS  13           HD2      LYS  13  57.525  -4.403  10.707
  103   2HD   LYS  13           HD1      LYS  13  59.094  -3.595  10.688
  104   1HE   LYS  13           HE2      LYS  13  59.021  -3.250  13.090
  105   2HE   LYS  13           HE1      LYS  13  57.355  -3.857  13.167
  106   1HZ   LYS  13           HZ2      LYS  13  59.381  -5.524  11.864
  107   2HZ   LYS  13           HZ1      LYS  13  59.386  -5.457  13.561
  108   3HZ   LYS  13           HZ3      LYS  13  58.001  -5.987  12.738
  109    H    THR  14           HN       THR  14  56.411   1.762  10.942
  110    HA   THR  14           HA       THR  14  53.642   0.696  11.024
  111    HB   THR  14           HB       THR  14  53.716   1.502  13.498
  112    HG1  THR  14           HG1      THR  14  55.785   2.514  13.208
  113   1HG2  THR  14          HG23      THR  14  55.286  -0.929  12.605
  114   2HG2  THR  14          HG22      THR  14  54.680  -0.668  14.240
  115   3HG2  THR  14          HG21      THR  14  53.550  -0.858  12.900
  116    H    ALA  15           HN       ALA  15  55.623   3.026  10.021
  117    HA   ALA  15           HA       ALA  15  54.244   5.429  10.987
  118   1HB   ALA  15           HB2      ALA  15  56.737   5.177  10.558
  119   2HB   ALA  15           HB1      ALA  15  56.359   5.024   8.842
  120   3HB   ALA  15           HB3      ALA  15  55.995   6.524   9.695
  121    H    GLU  16           HN       GLU  16  54.651   6.707   8.390
  122    HA   GLU  16           HA       GLU  16  52.802   5.344   6.542
  123   1HB   GLU  16           HB2      GLU  16  52.254   7.986   7.944
  124   2HB   GLU  16           HB1      GLU  16  51.327   7.402   6.558
  125   1HG   GLU  16           HG2      GLU  16  51.619   5.963   9.211
  126   2HG   GLU  16           HG1      GLU  16  50.188   6.832   8.664
  127    H    GLU  17           HN       GLU  17  52.526   8.330   5.567
  128    HA   GLU  17           HA       GLU  17  54.899   8.230   3.817
  129   1HB   GLU  17           HB2      GLU  17  52.172   9.201   3.761
  130   2HB   GLU  17           HB1      GLU  17  53.284  10.487   3.290
  131   1HG   GLU  17           HG2      GLU  17  54.337   8.972   1.645
  132   2HG   GLU  17           HG1      GLU  17  53.201   7.700   2.098
  133    H    ARG  18           HN       ARG  18  54.206   9.557   6.823
  134    HA   ARG  18           HA       ARG  18  55.450  12.165   6.404
  135   1HB   ARG  18           HB2      ARG  18  54.570  12.591   8.473
  136   2HB   ARG  18           HB1      ARG  18  53.669  11.110   8.171
  137   1HG   ARG  18           HG2      ARG  18  56.368  11.109   9.548
  138   2HG   ARG  18           HG1      ARG  18  54.852  11.264  10.429
  139   1HD   ARG  18           HD2      ARG  18  54.900   9.044   8.473
  140   2HD   ARG  18           HD1      ARG  18  55.999   8.856   9.855
  141    HE   ARG  18           HE       ARG  18  53.187   9.696  10.372
  142   1HH1  ARG  18          HH21      ARG  18  55.808   8.433  11.883
  143   2HH1  ARG  18          HH22      ARG  18  55.026   7.029  12.530
  144   1HH2  ARG  18          HH11      ARG  18  52.143   7.443  10.652
  145   2HH2  ARG  18          HH12      ARG  18  52.950   6.470  11.836
  146    H    GLU  19           HN       GLU  19  56.569   8.994   7.534
  147    HA   GLU  19           HA       GLU  19  59.227  10.221   8.108
  148   1HB   GLU  19           HB2      GLU  19  57.673   8.193   9.325
  149   2HB   GLU  19           HB1      GLU  19  59.082   7.396   8.614
  150   1HG   GLU  19           HG2      GLU  19  60.493   8.338  10.091
  151   2HG   GLU  19           HG1      GLU  19  59.768   9.929   9.873
  152    H    ILE  20           HN       ILE  20  57.590   7.846   6.090
  153    HA   ILE  20           HA       ILE  20  59.950   6.828   4.858
  154    HB   ILE  20           HB       ILE  20  57.099   6.604   4.693
  155   1HG1  ILE  20          HG12      ILE  20  57.610   4.421   3.898
  156   2HG1  ILE  20          HG11      ILE  20  59.152   4.948   3.225
  157   1HG2  ILE  20          HG23      ILE  20  57.347   8.000   2.615
  158   2HG2  ILE  20          HG22      ILE  20  58.412   6.754   1.963
  159   3HG2  ILE  20          HG21      ILE  20  56.723   6.379   2.307
  160   1HD1  ILE  20          HD11      ILE  20  58.880   5.477   6.105
  161   2HD1  ILE  20          HD13      ILE  20  58.839   3.762   5.692
  162   3HD1  ILE  20          HD12      ILE  20  60.218   4.752   5.215
  163    H    ARG  21           HN       ARG  21  58.418   9.898   4.724
  164    HA   ARG  21           HA       ARG  21  59.489  10.556   2.058
  165   1HB   ARG  21           HB2      ARG  21  58.172  12.536   2.296
  166   2HB   ARG  21           HB1      ARG  21  57.235  11.279   3.106
  167   1HG   ARG  21           HG2      ARG  21  58.258  11.964   5.274
  168   2HG   ARG  21           HG1      ARG  21  59.082  13.281   4.438
  169   1HD   ARG  21           HD2      ARG  21  56.154  13.115   3.964
  170   2HD   ARG  21           HD1      ARG  21  56.649  13.588   5.602
  171    HE   ARG  21           HE       ARG  21  58.070  14.935   3.394
  172   1HH1  ARG  21          HH21      ARG  21  58.327  16.466   5.679
  173   2HH1  ARG  21          HH22      ARG  21  56.955  17.521   5.731
  174   1HH2  ARG  21          HH11      ARG  21  55.098  15.652   3.477
  175   2HH2  ARG  21          HH12      ARG  21  55.129  17.063   4.481
  176    H    LYS  22           HN       LYS  22  60.327  11.030   5.396
  177    HA   LYS  22           HA       LYS  22  62.548  12.843   4.637
  178   1HB   LYS  22           HB2      LYS  22  62.624  13.113   7.190
  179   2HB   LYS  22           HB1      LYS  22  61.188  13.755   6.388
  180   1HG   LYS  22           HG2      LYS  22  59.846  12.009   7.096
  181   2HG   LYS  22           HG1      LYS  22  61.210  10.916   7.321
  182   1HD   LYS  22           HD2      LYS  22  60.559  13.324   9.051
  183   2HD   LYS  22           HD1      LYS  22  60.344  11.636   9.508
  184   1HE   LYS  22           HE2      LYS  22  62.892  11.407   8.941
  185   2HE   LYS  22           HE1      LYS  22  62.907  13.171   9.142
  186   1HZ   LYS  22           HZ3      LYS  22  61.762  12.872  11.276
  187   2HZ   LYS  22           HZ2      LYS  22  61.863  11.186  11.097
  188   3HZ   LYS  22           HZ1      LYS  22  63.277  12.111  11.270
  189    H    ALA  23           HN       ALA  23  61.621   9.711   5.737
  190    HA   ALA  23           HA       ALA  23  64.322   8.960   6.675
  191   1HB   ALA  23           HB3      ALA  23  62.082   8.122   7.570
  192   2HB   ALA  23           HB2      ALA  23  61.903   7.230   6.059
  193   3HB   ALA  23           HB1      ALA  23  63.233   6.853   7.154
  194    H    TYR  24           HN       TYR  24  62.326   8.755   3.799
  195    HA   TYR  24           HA       TYR  24  63.907   6.803   2.362
  196   1HB   TYR  24           HB2      TYR  24  61.667   7.205   1.673
  197   2HB   TYR  24           HB1      TYR  24  61.895   8.951   1.677
  198    HD1  TYR  24           HD1      TYR  24  62.757   5.810  -0.106
  199    HD2  TYR  24           HD2      TYR  24  62.818  10.101  -0.199
  200    HE1  TYR  24           HE1      TYR  24  63.393   5.749  -2.502
  201    HE2  TYR  24           HE2      TYR  24  63.456  10.042  -2.594
  202    HH   TYR  24           HH       TYR  24  64.369   8.622  -4.217
  203    H    LYS  25           HN       LYS  25  63.619  10.354   2.094
  204    HA   LYS  25           HA       LYS  25  65.904  10.647   0.349
  205   1HB   LYS  25           HB2      LYS  25  63.774  12.134   0.890
  206   2HB   LYS  25           HB1      LYS  25  64.846  12.837   2.102
  207   1HG   LYS  25           HG2      LYS  25  65.511  14.178   0.381
  208   2HG   LYS  25           HG1      LYS  25  66.501  12.787  -0.064
  209   1HD   LYS  25           HD2      LYS  25  65.387  12.672  -2.014
  210   2HD   LYS  25           HD1      LYS  25  63.922  12.285  -1.111
  211   1HE   LYS  25           HE2      LYS  25  63.059  14.258  -1.823
  212   2HE   LYS  25           HE1      LYS  25  64.283  15.083  -0.838
  213   1HZ   LYS  25           HZ1      LYS  25  64.856  13.977  -3.529
  214   2HZ   LYS  25           HZ3      LYS  25  64.367  15.582  -3.287
  215   3HZ   LYS  25           HZ2      LYS  25  65.824  15.028  -2.609
  216    H    ARG  26           HN       ARG  26  65.420  10.923   3.896
  217    HA   ARG  26           HA       ARG  26  68.030  12.043   4.440
  218   1HB   ARG  26           HB2      ARG  26  66.206  12.075   6.056
  219   2HB   ARG  26           HB1      ARG  26  66.149  10.311   6.075
  220   1HG   ARG  26           HG2      ARG  26  67.690  10.288   7.706
  221   2HG   ARG  26           HG1      ARG  26  68.835  11.078   6.621
  222   1HD   ARG  26           HD2      ARG  26  66.804  12.482   8.397
  223   2HD   ARG  26           HD1      ARG  26  68.564  12.465   8.623
  224    HE   ARG  26           HE       ARG  26  67.979  13.340   5.963
  225   1HH1  ARG  26          HH21      ARG  26  69.505  14.488   8.551
  226   2HH1  ARG  26          HH22      ARG  26  68.866  16.097   8.519
  227   1HH2  ARG  26          HH11      ARG  26  66.389  15.355   6.211
  228   2HH2  ARG  26          HH12      ARG  26  67.100  16.588   7.197
  229    H    LEU  27           HN       LEU  27  66.873   8.674   4.288
  230    HA   LEU  27           HA       LEU  27  69.575   7.636   4.867
  231   1HB   LEU  27           HB2      LEU  27  66.880   6.784   5.062
  232   2HB   LEU  27           HB1      LEU  27  67.692   5.683   3.953
  233    HG   LEU  27           HG       LEU  27  68.455   6.348   6.803
  234   1HD1  LEU  27          HD12      LEU  27  66.799   4.434   5.869
  235   2HD1  LEU  27          HD11      LEU  27  68.337   3.587   5.708
  236   3HD1  LEU  27          HD13      LEU  27  67.827   4.195   7.283
  237   1HD2  LEU  27          HD22      LEU  27  70.136   5.554   4.525
  238   2HD2  LEU  27          HD21      LEU  27  70.612   6.164   6.110
  239   3HD2  LEU  27          HD23      LEU  27  70.257   4.450   5.895
  240    H    ALA  28           HN       ALA  28  67.532   8.219   2.060
  241    HA   ALA  28           HA       ALA  28  68.947   6.425   0.276
  242   1HB   ALA  28           HB2      ALA  28  67.217   8.879  -0.095
  243   2HB   ALA  28           HB1      ALA  28  67.817   7.909  -1.440
  244   3HB   ALA  28           HB3      ALA  28  66.725   7.193  -0.255
  245    H    MET  29           HN       MET  29  69.247   9.785   1.286
  246    HA   MET  29           HA       MET  29  71.098  10.788  -0.575
  247   1HB   MET  29           HB2      MET  29  70.064  11.942   1.372
  248   2HB   MET  29           HB1      MET  29  71.123  11.016   2.437
  249   1HG   MET  29           HG2      MET  29  72.986  12.221   1.870
  250   2HG   MET  29           HG1      MET  29  72.444  12.474   0.212
  251   1HE   MET  29           HE1      MET  29  72.740  13.237   3.572
  252   2HE   MET  29           HE3      MET  29  72.974  14.984   3.426
  253   3HE   MET  29           HE2      MET  29  71.469  14.345   4.080
  254    H    LYS  30           HN       LYS  30  71.588   8.865   2.320
  255    HA   LYS  30           HA       LYS  30  74.368   8.560   2.402
  256   1HB   LYS  30           HB2      LYS  30  71.930   7.329   3.358
  257   2HB   LYS  30           HB1      LYS  30  73.134   6.090   2.992
  258   1HG   LYS  30           HG2      LYS  30  73.858   6.583   5.111
  259   2HG   LYS  30           HG1      LYS  30  74.716   7.868   4.264
  260   1HD   LYS  30           HD2      LYS  30  71.998   8.685   4.840
  261   2HD   LYS  30           HD1      LYS  30  72.818   8.180   6.319
  262   1HE   LYS  30           HE2      LYS  30  74.307   9.953   4.407
  263   2HE   LYS  30           HE1      LYS  30  73.075  10.676   5.459
  264   1HZ   LYS  30           HZ1      LYS  30  75.026   8.754   6.551
  265   2HZ   LYS  30           HZ3      LYS  30  75.455  10.385   6.375
  266   3HZ   LYS  30           HZ2      LYS  30  74.142   9.955   7.363
  267    H    TYR  31           HN       TYR  31  72.063   7.427   0.089
  268    HA   TYR  31           HA       TYR  31  74.182   5.686  -1.149
  269   1HB   TYR  31           HB2      TYR  31  71.177   5.305  -1.169
  270   2HB   TYR  31           HB1      TYR  31  72.394   4.156  -1.741
  271    HD1  TYR  31           HD1      TYR  31  74.271   3.545   0.023
  272    HD2  TYR  31           HD2      TYR  31  70.395   5.101   1.022
  273    HE1  TYR  31           HE1      TYR  31  74.503   2.641   2.322
  274    HE2  TYR  31           HE2      TYR  31  70.623   4.195   3.320
  275    HH   TYR  31           HH       TYR  31  72.457   1.930   4.232
  276    H    HIS  32           HN       HIS  32  71.543   7.987  -1.760
  277    HA   HIS  32           HA       HIS  32  70.920   8.078  -4.350
  278   1HB   HIS  32           HB2      HIS  32  71.542   9.999  -2.325
  279   2HB   HIS  32           HB1      HIS  32  72.135  10.620  -3.868
  280    HD1  HIS  32           HD1      HIS  32  70.383  12.065  -4.882
  281    HD2  HIS  32           HD2      HIS  32  68.713   8.735  -3.011
  282    HE1  HIS  32           HE1      HIS  32  67.886  12.187  -5.295
  283    HA   PRO  33           HA       PRO  33  75.100   7.241  -6.060
  284   1HB   PRO  33           HB2      PRO  33  74.081   6.122  -8.353
  285   2HB   PRO  33           HB1      PRO  33  74.313   5.215  -6.843
  286   1HG   PRO  33           HG2      PRO  33  71.837   6.526  -7.890
  287   2HG   PRO  33           HG1      PRO  33  72.046   4.895  -7.223
  288   1HD   PRO  33           HD2      PRO  33  71.060   6.831  -5.709
  289   2HD   PRO  33           HD1      PRO  33  72.235   5.677  -5.033
  290    H    ASP  34           HN       ASP  34  72.301   8.967  -7.297
  291    HA   ASP  34           HA       ASP  34  73.122  10.059  -9.709
  292   1HB   ASP  34           HB2      ASP  34  71.028  10.590  -8.529
  293   2HB   ASP  34           HB1      ASP  34  71.931  11.454  -7.285
  294    H    ARG  35           HN       ARG  35  74.203  10.937  -6.456
  295    HA   ARG  35           HA       ARG  35  76.373  12.644  -7.572
  296   1HB   ARG  35           HB2      ARG  35  76.261  13.685  -5.429
  297   2HB   ARG  35           HB1      ARG  35  74.582  13.381  -5.846
  298   1HG   ARG  35           HG2      ARG  35  74.739  11.222  -4.550
  299   2HG   ARG  35           HG1      ARG  35  76.342  11.718  -4.010
  300   1HD   ARG  35           HD2      ARG  35  73.801  13.334  -3.568
  301   2HD   ARG  35           HD1      ARG  35  74.596  12.329  -2.340
  302    HE   ARG  35           HE       ARG  35  76.676  13.860  -3.173
  303   1HH1  ARG  35          HH11      ARG  35  75.203  16.049  -4.254
  304   2HH1  ARG  35          HH12      ARG  35  74.788  17.025  -2.885
  305   1HH2  ARG  35          HH21      ARG  35  75.369  14.499  -0.578
  306   2HH2  ARG  35          HH22      ARG  35  74.876  16.144  -0.803
  307    H    ASN  36           HN       ASN  36  75.548   9.783  -5.780
  308    HA   ASN  36           HA       ASN  36  78.309   9.272  -4.855
  309   1HB   ASN  36           HB2      ASN  36  75.533   8.220  -4.411
  310   2HB   ASN  36           HB1      ASN  36  76.904   7.188  -4.017
  311   1HD2  ASN  36          HD21      ASN  36  77.880   7.507  -2.018
  312   2HD2  ASN  36          HD22      ASN  36  77.652   8.877  -1.041
  313    H    GLN  37           HN       GLN  37  79.030   8.967  -7.266
  314    HA   GLN  37           HA       GLN  37  78.269   6.213  -8.154
  315   1HB   GLN  37           HB2      GLN  37  79.174   8.684  -9.628
  316   2HB   GLN  37           HB1      GLN  37  79.206   7.090 -10.383
  317   1HG   GLN  37           HG2      GLN  37  77.017   7.273 -10.843
  318   2HG   GLN  37           HG1      GLN  37  76.677   7.368  -9.114
  319   1HE2  GLN  37          HE22      GLN  37  76.899  11.066  -9.229
  320   2HE2  GLN  37          HE21      GLN  37  77.620   9.814  -8.338
  321    H    GLY  38           HN       GLY  38  80.637   7.764  -6.487
  322   1HA   GLY  38           HA2      GLY  38  83.055   6.874  -7.742
  323   2HA   GLY  38           HA1      GLY  38  82.878   7.216  -6.016
  324    H    ASP  39           HN       ASP  39  80.501   5.235  -6.190
  325    HA   ASP  39           HA       ASP  39  82.059   2.685  -6.212
  326   1HB   ASP  39           HB2      ASP  39  81.094   4.131  -3.981
  327   2HB   ASP  39           HB1      ASP  39  79.976   2.782  -4.189
  328    H    LYS  40           HN       LYS  40  78.881   4.286  -6.249
  329    HA   LYS  40           HA       LYS  40  76.898   3.757  -7.402
  330   1HB   LYS  40           HB2      LYS  40  78.739   1.884  -8.785
  331   2HB   LYS  40           HB1      LYS  40  77.250   2.535  -9.449
  332   1HG   LYS  40           HG2      LYS  40  78.193   4.792  -9.278
  333   2HG   LYS  40           HG1      LYS  40  79.677   4.124  -8.602
  334   1HD   LYS  40           HD2      LYS  40  79.222   2.686 -10.980
  335   2HD   LYS  40           HD1      LYS  40  78.900   4.374 -11.381
  336   1HE   LYS  40           HE2      LYS  40  81.083   5.023 -10.997
  337   2HE   LYS  40           HE1      LYS  40  81.332   3.796  -9.739
  338   1HZ   LYS  40           HZ3      LYS  40  80.837   3.039 -12.552
  339   2HZ   LYS  40           HZ2      LYS  40  82.408   3.381 -12.003
  340   3HZ   LYS  40           HZ1      LYS  40  81.521   2.106 -11.312
  341    H    GLU  41           HN       GLU  41  78.434   1.695  -5.379
  342    HA   GLU  41           HA       GLU  41  76.925  -0.757  -5.742
  343   1HB   GLU  41           HB2      GLU  41  78.638   0.505  -3.605
  344   2HB   GLU  41           HB1      GLU  41  77.765  -0.992  -3.267
  345   1HG   GLU  41           HG2      GLU  41  79.374  -0.800  -5.788
  346   2HG   GLU  41           HG1      GLU  41  80.216  -1.072  -4.262
  347    H    ALA  42           HN       ALA  42  76.084   2.334  -4.664
  348    HA   ALA  42           HA       ALA  42  74.125   1.594  -2.629
  349   1HB   ALA  42           HB1      ALA  42  75.239   3.962  -3.929
  350   2HB   ALA  42           HB3      ALA  42  73.490   4.094  -3.746
  351   3HB   ALA  42           HB2      ALA  42  74.507   3.819  -2.331
  352    H    GLU  43           HN       GLU  43  74.321   1.747  -6.071
  353    HA   GLU  43           HA       GLU  43  71.796   2.185  -7.061
  354   1HB   GLU  43           HB2      GLU  43  73.633   1.573  -8.467
  355   2HB   GLU  43           HB1      GLU  43  73.859   0.043  -7.620
  356   1HG   GLU  43           HG2      GLU  43  71.196   0.541  -8.878
  357   2HG   GLU  43           HG1      GLU  43  72.546   0.168  -9.950
  358    H    ALA  44           HN       ALA  44  72.893  -0.613  -5.182
  359    HA   ALA  44           HA       ALA  44  70.365  -2.064  -5.475
  360   1HB   ALA  44           HB2      ALA  44  72.846  -2.342  -3.743
  361   2HB   ALA  44           HB1      ALA  44  71.500  -3.479  -3.679
  362   3HB   ALA  44           HB3      ALA  44  72.429  -3.295  -5.168
  363    H    LYS  45           HN       LYS  45  72.065  -0.629  -2.636
  364    HA   LYS  45           HA       LYS  45  69.969  -0.700  -0.806
  365   1HB   LYS  45           HB2      LYS  45  72.447   0.668  -1.186
  366   2HB   LYS  45           HB1      LYS  45  71.256   1.851  -0.627
  367   1HG   LYS  45           HG2      LYS  45  71.510   1.024   1.449
  368   2HG   LYS  45           HG1      LYS  45  70.774  -0.476   0.875
  369   1HD   LYS  45           HD2      LYS  45  73.464  -0.431  -0.052
  370   2HD   LYS  45           HD1      LYS  45  73.487  -0.033   1.667
  371   1HE   LYS  45           HE2      LYS  45  71.932  -2.038   2.019
  372   2HE   LYS  45           HE1      LYS  45  72.324  -2.502   0.352
  373   1HZ   LYS  45           HZ1      LYS  45  74.742  -1.887   1.301
  374   2HZ   LYS  45           HZ3      LYS  45  74.019  -2.495   2.710
  375   3HZ   LYS  45           HZ2      LYS  45  74.105  -3.462   1.316
  376    H    PHE  46           HN       PHE  46  70.377   1.448  -3.591
  377    HA   PHE  46           HA       PHE  46  68.345   3.357  -2.987
  378   1HB   PHE  46           HB2      PHE  46  70.111   3.077  -4.952
  379   2HB   PHE  46           HB1      PHE  46  68.769   2.261  -5.756
  380    HD1  PHE  46           HD2      PHE  46  66.648   3.465  -6.210
  381    HD2  PHE  46           HD1      PHE  46  70.072   5.459  -4.551
  382    HE1  PHE  46           HE2      PHE  46  65.645   5.660  -6.778
  383    HE2  PHE  46           HE1      PHE  46  69.069   7.654  -5.117
  384    HZ   PHE  46           HZ       PHE  46  66.856   7.754  -6.233
  385    H    LYS  47           HN       LYS  47  68.235   0.060  -4.202
  386    HA   LYS  47           HA       LYS  47  65.393   0.102  -4.743
  387   1HB   LYS  47           HB2      LYS  47  65.800  -2.096  -5.453
  388   2HB   LYS  47           HB1      LYS  47  67.431  -1.455  -5.571
  389   1HG   LYS  47           HG2      LYS  47  68.169  -2.633  -3.723
  390   2HG   LYS  47           HG1      LYS  47  66.578  -2.682  -2.974
  391   1HD   LYS  47           HD2      LYS  47  66.474  -4.793  -3.770
  392   2HD   LYS  47           HD1      LYS  47  66.156  -4.028  -5.328
  393   1HE   LYS  47           HE2      LYS  47  68.410  -4.221  -6.021
  394   2HE   LYS  47           HE1      LYS  47  68.983  -4.500  -4.366
  395   1HZ   LYS  47           HZ1      LYS  47  66.937  -6.327  -5.305
  396   2HZ   LYS  47           HZ3      LYS  47  68.435  -6.474  -6.086
  397   3HZ   LYS  47           HZ2      LYS  47  68.338  -6.641  -4.398
  398    H    GLU  48           HN       GLU  48  67.629  -0.875  -2.153
  399    HA   GLU  48           HA       GLU  48  65.654  -1.793  -0.329
  400   1HB   GLU  48           HB2      GLU  48  68.293  -0.334   0.077
  401   2HB   GLU  48           HB1      GLU  48  67.396  -1.109   1.381
  402   1HG   GLU  48           HG2      GLU  48  67.464  -3.190  -0.270
  403   2HG   GLU  48           HG1      GLU  48  68.888  -2.357  -0.894
  404    H    ILE  49           HN       ILE  49  66.390   1.306  -1.654
  405    HA   ILE  49           HA       ILE  49  64.880   2.732   0.446
  406    HB   ILE  49           HB       ILE  49  66.243   3.660  -2.101
  407   1HG1  ILE  49          HG12      ILE  49  68.138   3.224  -0.904
  408   2HG1  ILE  49          HG11      ILE  49  67.704   4.684  -0.022
  409   1HG2  ILE  49          HG21      ILE  49  64.317   4.927  -0.715
  410   2HG2  ILE  49          HG23      ILE  49  65.737   5.480   0.170
  411   3HG2  ILE  49          HG22      ILE  49  65.610   5.772  -1.566
  412   1HD1  ILE  49          HD13      ILE  49  66.312   3.161   1.493
  413   2HD1  ILE  49          HD12      ILE  49  67.176   1.819   0.745
  414   3HD1  ILE  49          HD11      ILE  49  68.063   3.043   1.648
  415    H    LYS  50           HN       LYS  50  64.845   2.821  -3.122
  416    HA   LYS  50           HA       LYS  50  62.015   3.538  -3.023
  417   1HB   LYS  50           HB2      LYS  50  63.553   4.597  -4.600
  418   2HB   LYS  50           HB1      LYS  50  63.982   3.028  -5.283
  419   1HG   LYS  50           HG2      LYS  50  61.209   3.066  -5.450
  420   2HG   LYS  50           HG1      LYS  50  61.668   4.723  -5.843
  421   1HD   LYS  50           HD2      LYS  50  63.425   2.779  -7.120
  422   2HD   LYS  50           HD1      LYS  50  61.739   2.548  -7.584
  423   1HE   LYS  50           HE2      LYS  50  61.550   4.851  -8.317
  424   2HE   LYS  50           HE1      LYS  50  63.163   5.230  -7.677
  425   1HZ   LYS  50           HZ3      LYS  50  64.046   3.448  -9.132
  426   2HZ   LYS  50           HZ2      LYS  50  62.507   3.295  -9.836
  427   3HZ   LYS  50           HZ1      LYS  50  63.378   4.745  -9.999
  428    H    GLU  51           HN       GLU  51  63.843   0.566  -3.382
  429    HA   GLU  51           HA       GLU  51  61.601  -0.827  -4.715
  430   1HB   GLU  51           HB2      GLU  51  64.151  -1.182  -5.051
  431   2HB   GLU  51           HB1      GLU  51  64.116  -2.001  -3.495
  432   1HG   GLU  51           HG2      GLU  51  63.883  -3.476  -5.530
  433   2HG   GLU  51           HG1      GLU  51  62.661  -3.670  -4.274
  434    H    ALA  52           HN       ALA  52  63.020  -0.322  -1.562
  435    HA   ALA  52           HA       ALA  52  61.362  -2.380  -0.234
  436   1HB   ALA  52           HB2      ALA  52  63.818  -1.307   0.181
  437   2HB   ALA  52           HB1      ALA  52  62.856  -0.277   1.240
  438   3HB   ALA  52           HB3      ALA  52  62.862  -2.022   1.475
  439    H    TYR  53           HN       TYR  53  61.841   1.126  -0.010
  440    HA   TYR  53           HA       TYR  53  59.447   1.559   1.563
  441   1HB   TYR  53           HB2      TYR  53  60.696   3.360   2.047
  442   2HB   TYR  53           HB1      TYR  53  61.892   2.786   0.909
  443    HD1  TYR  53           HD2      TYR  53  60.856   3.233  -1.687
  444    HD2  TYR  53           HD1      TYR  53  60.312   5.606   1.838
  445    HE1  TYR  53           HE2      TYR  53  60.529   5.240  -3.095
  446    HE2  TYR  53           HE1      TYR  53  59.989   7.620   0.443
  447    HH   TYR  53           HH       TYR  53  59.503   7.434  -2.962
  448    H    GLU  54           HN       GLU  54  59.582   0.674  -1.565
  449    HA   GLU  54           HA       GLU  54  57.860   2.708  -2.780
  450   1HB   GLU  54           HB2      GLU  54  58.976   1.651  -4.467
  451   2HB   GLU  54           HB1      GLU  54  59.257   0.207  -3.498
  452   1HG   GLU  54           HG2      GLU  54  57.314  -0.814  -4.223
  453   2HG   GLU  54           HG1      GLU  54  56.469   0.718  -4.451
  454    H    VAL  55           HN       VAL  55  57.451  -0.264  -0.951
  455    HA   VAL  55           HA       VAL  55  54.520  -0.144  -1.503
  456    HB   VAL  55           HB       VAL  55  54.662  -2.382  -1.664
  457   1HG1  VAL  55          HG13      VAL  55  56.910  -1.986  -2.535
  458   2HG1  VAL  55          HG12      VAL  55  57.562  -2.137  -0.904
  459   3HG1  VAL  55          HG11      VAL  55  56.807  -3.521  -1.682
  460   1HG2  VAL  55          HG22      VAL  55  55.854  -2.249   1.103
  461   2HG2  VAL  55          HG21      VAL  55  54.195  -2.657   0.662
  462   3HG2  VAL  55          HG23      VAL  55  55.508  -3.772   0.282
  463    H    LEU  56           HN       LEU  56  56.468   1.253   0.559
  464    HA   LEU  56           HA       LEU  56  55.243   0.515   3.117
  465   1HB   LEU  56           HB2      LEU  56  57.324   2.306   2.005
  466   2HB   LEU  56           HB1      LEU  56  56.586   2.840   3.520
  467    HG   LEU  56           HG       LEU  56  57.110   0.690   4.566
  468   1HD1  LEU  56          HD12      LEU  56  57.901   0.009   1.756
  469   2HD1  LEU  56          HD11      LEU  56  58.758  -0.766   3.089
  470   3HD1  LEU  56          HD13      LEU  56  57.011  -0.957   2.934
  471   1HD2  LEU  56          HD21      LEU  56  59.230   2.339   3.275
  472   2HD2  LEU  56          HD23      LEU  56  58.935   2.031   4.986
  473   3HD2  LEU  56          HD22      LEU  56  59.739   0.813   3.997
  474    H    THR  57           HN       THR  57  54.182   2.237   0.470
  475    HA   THR  57           HA       THR  57  52.529   4.119   2.119
  476    HB   THR  57           HB       THR  57  53.184   5.663   0.578
  477    HG1  THR  57           HG1      THR  57  52.469   5.365  -1.582
  478   1HG2  THR  57          HG23      THR  57  55.238   4.260   0.310
  479   2HG2  THR  57          HG22      THR  57  54.448   3.418  -1.024
  480   3HG2  THR  57          HG21      THR  57  54.813   5.138  -1.159
  481    H    ASP  58           HN       ASP  58  52.562   1.428  -0.045
  482    HA   ASP  58           HA       ASP  58  49.588   1.556  -0.397
  483   1HB   ASP  58           HB2      ASP  58  51.361   1.522  -2.317
  484   2HB   ASP  58           HB1      ASP  58  51.530  -0.189  -1.910
  485    H    SER  59           HN       SER  59  48.472   0.120   0.874
  486    HA   SER  59           HA       SER  59  49.751  -1.896   2.487
  487   1HB   SER  59           HB2      SER  59  47.087  -0.800   1.932
  488   2HB   SER  59           HB1      SER  59  47.050  -2.517   2.319
  489    HG   SER  59           HG       SER  59  47.226  -1.839   4.300
  490    H    GLN  60           HN       GLN  60  47.730  -2.096  -0.461
  491    HA   GLN  60           HA       GLN  60  47.530  -4.844  -0.836
  492   1HB   GLN  60           HB2      GLN  60  47.474  -4.242  -3.246
  493   2HB   GLN  60           HB1      GLN  60  46.566  -3.087  -2.266
  494   1HG   GLN  60           HG2      GLN  60  48.900  -1.845  -2.142
  495   2HG   GLN  60           HG1      GLN  60  49.211  -2.741  -3.630
  496   1HE2  GLN  60          HE22      GLN  60  45.974  -0.189  -3.699
  497   2HE2  GLN  60          HE21      GLN  60  46.285  -1.092  -2.295
  498    H    LYS  61           HN       LYS  61  50.368  -2.793  -1.518
  499    HA   LYS  61           HA       LYS  61  51.901  -4.961  -2.706
  500   1HB   LYS  61           HB2      LYS  61  52.818  -2.299  -1.588
  501   2HB   LYS  61           HB1      LYS  61  53.583  -3.248  -2.863
  502   1HG   LYS  61           HG2      LYS  61  51.670  -2.859  -4.342
  503   2HG   LYS  61           HG1      LYS  61  50.833  -1.978  -3.064
  504   1HD   LYS  61           HD2      LYS  61  51.795  -0.208  -4.223
  505   2HD   LYS  61           HD1      LYS  61  53.059  -0.542  -3.036
  506   1HE   LYS  61           HE2      LYS  61  54.326  -1.837  -4.633
  507   2HE   LYS  61           HE1      LYS  61  53.005  -1.761  -5.816
  508   1HZ   LYS  61           HZ3      LYS  61  53.882   0.777  -4.703
  509   2HZ   LYS  61           HZ2      LYS  61  54.985   0.017  -5.747
  510   3HZ   LYS  61           HZ1      LYS  61  53.419   0.394  -6.290
  511    H    ARG  62           HN       ARG  62  51.638  -3.365   0.454
  512    HA   ARG  62           HA       ARG  62  53.894  -4.480   1.746
  513   1HB   ARG  62           HB2      ARG  62  51.091  -3.783   2.681
  514   2HB   ARG  62           HB1      ARG  62  52.395  -4.199   3.794
  515   1HG   ARG  62           HG2      ARG  62  52.636  -2.003   1.729
  516   2HG   ARG  62           HG1      ARG  62  52.089  -1.710   3.379
  517   1HD   ARG  62           HD2      ARG  62  54.728  -3.055   2.700
  518   2HD   ARG  62           HD1      ARG  62  54.562  -1.329   3.079
  519    HE   ARG  62           HE       ARG  62  54.656  -3.329   5.056
  520   1HH1  ARG  62          HH11      ARG  62  53.849  -0.170   4.807
  521   2HH1  ARG  62          HH12      ARG  62  52.613  -0.163   6.020
  522   1HH2  ARG  62          HH21      ARG  62  52.483  -3.616   6.291
  523   2HH2  ARG  62          HH22      ARG  62  51.841  -2.112   6.860
  524    H    ALA  63           HN       ALA  63  50.991  -5.931   0.596
  525    HA   ALA  63           HA       ALA  63  51.495  -8.453   2.114
  526   1HB   ALA  63           HB1      ALA  63  49.206  -6.965   1.213
  527   2HB   ALA  63           HB3      ALA  63  49.200  -8.527   0.394
  528   3HB   ALA  63           HB2      ALA  63  49.221  -8.455   2.156
  529    H    ALA  64           HN       ALA  64  51.677  -6.894  -0.962
  530    HA   ALA  64           HA       ALA  64  51.958  -9.352  -2.563
  531   1HB   ALA  64           HB2      ALA  64  50.939  -6.968  -3.098
  532   2HB   ALA  64           HB1      ALA  64  52.619  -6.550  -3.432
  533   3HB   ALA  64           HB3      ALA  64  51.832  -7.834  -4.349
  534    H    TYR  65           HN       TYR  65  53.947  -6.523  -1.770
  535    HA   TYR  65           HA       TYR  65  56.365  -7.617  -2.928
  536   1HB   TYR  65           HB2      TYR  65  55.264  -5.196  -1.886
  537   2HB   TYR  65           HB1      TYR  65  56.811  -5.474  -1.096
  538    HD1  TYR  65           HD2      TYR  65  58.872  -5.912  -2.515
  539    HD2  TYR  65           HD1      TYR  65  55.148  -4.566  -4.176
  540    HE1  TYR  65           HE2      TYR  65  60.046  -5.220  -4.589
  541    HE2  TYR  65           HE1      TYR  65  56.320  -3.874  -6.248
  542    HH   TYR  65           HH       TYR  65  58.391  -3.425  -7.123
  543    H    ASP  66           HN       ASP  66  54.953  -7.567   0.310
  544    HA   ASP  66           HA       ASP  66  57.381  -8.211   1.710
  545   1HB   ASP  66           HB2      ASP  66  55.918  -8.499   3.576
  546   2HB   ASP  66           HB1      ASP  66  55.163  -7.257   2.576
  547    H    GLN  67           HN       GLN  67  55.144 -10.092  -0.179
  548    HA   GLN  67           HA       GLN  67  56.270 -12.641   0.916
  549   1HB   GLN  67           HB2      GLN  67  54.273 -13.643  -0.011
  550   2HB   GLN  67           HB1      GLN  67  53.782 -12.178   0.842
  551   1HG   GLN  67           HG2      GLN  67  53.750 -10.933  -1.275
  552   2HG   GLN  67           HG1      GLN  67  54.286 -12.373  -2.143
  553   1HE2  GLN  67          HE22      GLN  67  50.514 -12.575  -0.496
  554   2HE2  GLN  67          HE21      GLN  67  51.759 -11.831   0.386
  555    H    TYR  68           HN       TYR  68  56.397 -10.534  -1.809
  556    HA   TYR  68           HA       TYR  68  57.334 -12.696  -3.631
  557   1HB   TYR  68           HB2      TYR  68  56.175  -9.985  -3.814
  558   2HB   TYR  68           HB1      TYR  68  57.423 -10.331  -5.017
  559    HD1  TYR  68           HD1      TYR  68  57.140 -12.138  -6.653
  560    HD2  TYR  68           HD2      TYR  68  54.083 -11.230  -3.776
  561    HE1  TYR  68           HE1      TYR  68  55.519 -13.496  -7.947
  562    HE2  TYR  68           HE2      TYR  68  52.460 -12.588  -5.071
  563    HH   TYR  68           HH       TYR  68  52.986 -13.567  -8.221
  564    H    GLY  69           HN       GLY  69  58.500  -9.377  -3.699
  565   1HA   GLY  69           HA2      GLY  69  60.654  -8.535  -3.056
  566   2HA   GLY  69           HA1      GLY  69  61.153 -10.182  -2.666
  567    H    HIS  70           HN       HIS  70  60.357 -11.420  -5.107
  568    HA   HIS  70           HA       HIS  70  61.242 -10.176  -7.492
  569   1HB   HIS  70           HB2      HIS  70  63.287 -10.558  -5.574
  570   2HB   HIS  70           HB1      HIS  70  63.565 -11.756  -6.837
  571    HD1  HIS  70           HD1      HIS  70  61.988  -8.410  -7.550
  572    HD2  HIS  70           HD2      HIS  70  65.658 -10.312  -8.091
  573    HE1  HIS  70           HE1      HIS  70  63.348  -6.924  -9.087
  574    H    ALA  71           HN       ALA  71  59.652 -11.658  -8.307
  575    HA   ALA  71           HA       ALA  71  58.836 -13.762  -9.063
  576   1HB   ALA  71           HB3      ALA  71  61.096 -13.084 -10.242
  577   2HB   ALA  71           HB2      ALA  71  61.750 -14.451  -9.340
  578   3HB   ALA  71           HB1      ALA  71  60.437 -14.700 -10.492
  579    H    ALA  72           HN       ALA  72  59.668 -13.511  -6.124
  580    HA   ALA  72           HA       ALA  72  60.990 -15.660  -5.013
  581   1HB   ALA  72           HB3      ALA  72  58.493 -14.139  -4.327
  582   2HB   ALA  72           HB2      ALA  72  58.979 -15.490  -3.301
  583   3HB   ALA  72           HB1      ALA  72  60.064 -14.118  -3.525
  584    H    PHE  73           HN       PHE  73  57.508 -16.023  -4.752
  585    HA   PHE  73           HA       PHE  73  57.765 -18.764  -5.943
  586   1HB   PHE  73           HB2      PHE  73  56.805 -17.715  -3.406
  587   2HB   PHE  73           HB1      PHE  73  55.556 -18.662  -4.215
  588    HD1  PHE  73           HD1      PHE  73  59.195 -19.177  -4.654
  589    HD2  PHE  73           HD2      PHE  73  55.604 -20.591  -2.770
  590    HE1  PHE  73           HE1      PHE  73  60.359 -21.269  -4.009
  591    HE2  PHE  73           HE2      PHE  73  56.767 -22.684  -2.123
  592    HZ   PHE  73           HZ       PHE  73  59.145 -23.023  -2.743
  593    H    GLU  74           HN       GLU  74  56.673 -18.867  -7.861
  594    HA   GLU  74           HA       GLU  74  53.980 -17.600  -8.041
  595   1HB   GLU  74           HB2      GLU  74  54.599 -16.541 -10.151
  596   2HB   GLU  74           HB1      GLU  74  55.755 -16.051  -8.911
  597   1HG   GLU  74           HG2      GLU  74  57.055 -18.207  -9.767
  598   2HG   GLU  74           HG1      GLU  74  56.136 -17.892 -11.239
  599    H    GLN  75           HN       GLN  75  53.659 -20.087  -7.779
  600    HA   GLN  75           HA       GLN  75  54.189 -21.594 -10.289
  601   1HB   GLN  75           HB2      GLN  75  53.052 -22.396  -7.588
  602   2HB   GLN  75           HB1      GLN  75  53.486 -23.511  -8.884
  603   1HG   GLN  75           HG2      GLN  75  55.821 -22.333  -8.769
  604   2HG   GLN  75           HG1      GLN  75  55.287 -21.819  -7.169
  605   1HE2  GLN  75          HE22      GLN  75  55.368 -25.133  -5.798
  606   2HE2  GLN  75          HE21      GLN  75  54.649 -23.606  -5.625
  607    H    GLY  76           HN       GLY  76  51.815 -19.573  -9.146
  608   1HA   GLY  76           HA2      GLY  76  49.508 -21.155 -10.081
  609   2HA   GLY  76           HA1      GLY  76  49.443 -19.521  -9.414
  610    H    GLY  77           HN       GLY  77  49.849 -17.734 -10.811
  611   1HA   GLY  77           HA2      GLY  77  50.556 -16.868 -13.010
  612   2HA   GLY  77           HA1      GLY  77  50.061 -18.408 -13.715
   
  No H/Q in entry =         612
  Start of MODEL   19
    1   1H    ALA   1           HT3      ALA   1  69.169 -13.038   8.012
    2   2H    ALA   1           HT2      ALA   1  68.753 -13.747   6.525
    3   3H    ALA   1           HT1      ALA   1  69.799 -12.409   6.568
    4    HA   ALA   1           HA       ALA   1  68.098 -10.915   7.092
    5   1HB   ALA   1           HB3      ALA   1  67.180 -13.112   5.215
    6   2HB   ALA   1           HB2      ALA   1  66.390 -11.539   5.326
    7   3HB   ALA   1           HB1      ALA   1  68.067 -11.649   4.787
    8    H    LYS   2           HN       LYS   2  66.670 -10.577   8.746
    9    HA   LYS   2           HA       LYS   2  64.473 -12.479   9.249
   10   1HB   LYS   2           HB2      LYS   2  65.259 -12.613  11.703
   11   2HB   LYS   2           HB1      LYS   2  66.178 -13.552  10.526
   12   1HG   LYS   2           HG2      LYS   2  67.851 -11.761  10.375
   13   2HG   LYS   2           HG1      LYS   2  66.924 -10.782  11.512
   14   1HD   LYS   2           HD2      LYS   2  67.129 -12.850  13.089
   15   2HD   LYS   2           HD1      LYS   2  68.455 -13.322  12.025
   16   1HE   LYS   2           HE2      LYS   2  69.622 -12.028  13.573
   17   2HE   LYS   2           HE1      LYS   2  69.171 -10.767  12.409
   18   1HZ   LYS   2           HZ1      LYS   2  67.165 -11.482  14.391
   19   2HZ   LYS   2           HZ3      LYS   2  68.516 -10.644  14.979
   20   3HZ   LYS   2           HZ2      LYS   2  67.561  -9.960  13.750
   21    H    GLN   3           HN       GLN   3  64.235  -9.869   8.387
   22    HA   GLN   3           HA       GLN   3  62.779  -8.613  10.608
   23   1HB   GLN   3           HB2      GLN   3  64.214  -6.513  10.373
   24   2HB   GLN   3           HB1      GLN   3  65.005  -7.883  11.154
   25   1HG   GLN   3           HG2      GLN   3  65.427  -8.210   8.378
   26   2HG   GLN   3           HG1      GLN   3  65.753  -6.512   8.728
   27   1HE2  GLN   3          HE22      GLN   3  68.787  -8.725   9.440
   28   2HE2  GLN   3          HE21      GLN   3  67.741  -8.667   8.104
   29    H    ASP   4           HN       ASP   4  61.265  -7.158   9.845
   30    HA   ASP   4           HA       ASP   4  60.416  -7.284   7.136
   31   1HB   ASP   4           HB2      ASP   4  59.078  -6.739   9.157
   32   2HB   ASP   4           HB1      ASP   4  59.932  -5.200   9.284
   33    H    TYR   5           HN       TYR   5  60.168  -5.168   5.772
   34    HA   TYR   5           HA       TYR   5  62.811  -3.760   5.766
   35   1HB   TYR   5           HB2      TYR   5  61.341  -3.381   3.332
   36   2HB   TYR   5           HB1      TYR   5  62.859  -4.242   3.572
   37    HD1  TYR   5           HD2      TYR   5  62.889  -6.674   3.912
   38    HD2  TYR   5           HD1      TYR   5  59.207  -4.557   3.268
   39    HE1  TYR   5           HE2      TYR   5  61.733  -8.822   3.466
   40    HE2  TYR   5           HE1      TYR   5  58.051  -6.705   2.821
   41    HH   TYR   5           HH       TYR   5  59.390  -9.706   3.573
   42    H    TYR   6           HN       TYR   6  60.135  -3.104   7.197
   43    HA   TYR   6           HA       TYR   6  59.371  -0.562   5.924
   44   1HB   TYR   6           HB2      TYR   6  57.500  -0.867   7.169
   45   2HB   TYR   6           HB1      TYR   6  58.140  -2.467   7.510
   46    HD1  TYR   6           HD1      TYR   6  58.678   1.063   8.742
   47    HD2  TYR   6           HD2      TYR   6  58.172  -3.084   9.734
   48    HE1  TYR   6           HE1      TYR   6  58.830   1.614  11.147
   49    HE2  TYR   6           HE2      TYR   6  58.314  -2.522  12.143
   50    HH   TYR   6           HH       TYR   6  58.733   0.850  13.224
   51    H    GLU   7           HN       GLU   7  60.805  -1.631   9.001
   52    HA   GLU   7           HA       GLU   7  61.555   1.003   9.870
   53   1HB   GLU   7           HB2      GLU   7  61.695  -1.753  10.716
   54   2HB   GLU   7           HB1      GLU   7  63.255  -0.978  10.989
   55   1HG   GLU   7           HG2      GLU   7  61.233   0.871  11.779
   56   2HG   GLU   7           HG1      GLU   7  60.844  -0.686  12.509
   57    H    ILE   8           HN       ILE   8  63.042  -1.407   7.783
   58    HA   ILE   8           HA       ILE   8  65.747  -0.718   7.853
   59    HB   ILE   8           HB       ILE   8  63.809  -1.920   6.026
   60   1HG1  ILE   8          HG12      ILE   8  66.189  -3.089   5.485
   61   2HG1  ILE   8          HG11      ILE   8  66.565  -2.353   7.043
   62   1HG2  ILE   8          HG22      ILE   8  66.105  -0.340   4.855
   63   2HG2  ILE   8          HG21      ILE   8  65.402  -1.727   4.023
   64   3HG2  ILE   8          HG23      ILE   8  64.410  -0.313   4.375
   65   1HD1  ILE   8          HD13      ILE   8  63.992  -3.487   7.318
   66   2HD1  ILE   8          HD12      ILE   8  64.972  -4.696   6.489
   67   3HD1  ILE   8          HD11      ILE   8  65.493  -4.056   8.048
   68    H    LEU   9           HN       LEU   9  63.047   1.069   6.396
   69    HA   LEU   9           HA       LEU   9  64.917   3.136   5.351
   70   1HB   LEU   9           HB2      LEU   9  61.914   2.705   5.188
   71   2HB   LEU   9           HB1      LEU   9  62.756   4.042   4.413
   72    HG   LEU   9           HG       LEU   9  62.787   2.604   2.636
   73   1HD1  LEU   9          HD11      LEU   9  65.052   1.461   4.299
   74   2HD1  LEU   9          HD13      LEU   9  64.843   1.204   2.567
   75   3HD1  LEU   9          HD12      LEU   9  65.156   2.826   3.187
   76   1HD2  LEU   9          HD21      LEU   9  62.363   0.539   4.751
   77   2HD2  LEU   9          HD23      LEU   9  61.453   0.838   3.270
   78   3HD2  LEU   9          HD22      LEU   9  63.004   0.004   3.197
   79    H    GLY  10           HN       GLY  10  64.164   2.565   8.327
   80   1HA   GLY  10           HA2      GLY  10  63.695   3.845  10.245
   81   2HA   GLY  10           HA1      GLY  10  64.266   5.223   9.299
   82    H    VAL  11           HN       VAL  11  61.387   3.152   9.734
   83    HA   VAL  11           HA       VAL  11  59.683   5.580   9.436
   84    HB   VAL  11           HB       VAL  11  59.145   3.047   7.870
   85   1HG1  VAL  11          HG12      VAL  11  57.815   5.523   8.241
   86   2HG1  VAL  11          HG11      VAL  11  58.430   5.511   6.588
   87   3HG1  VAL  11          HG13      VAL  11  57.375   4.213   7.146
   88   1HG2  VAL  11          HG21      VAL  11  60.852   5.418   7.044
   89   2HG2  VAL  11          HG23      VAL  11  61.370   3.739   7.179
   90   3HG2  VAL  11          HG22      VAL  11  60.227   4.210   5.922
   91    H    SER  12           HN       SER  12  57.418   3.549   9.032
   92    HA   SER  12           HA       SER  12  57.287   2.262  11.713
   93   1HB   SER  12           HB2      SER  12  56.057   4.706  10.898
   94   2HB   SER  12           HB1      SER  12  54.788   3.498  11.067
   95    HG   SER  12           HG       SER  12  56.616   4.478  12.965
   96    H    LYS  13           HN       LYS  13  56.930   1.990   8.408
   97    HA   LYS  13           HA       LYS  13  56.046   0.251   7.092
   98   1HB   LYS  13           HB2      LYS  13  56.098  -1.672   8.265
   99   2HB   LYS  13           HB1      LYS  13  56.229  -0.722   9.739
  100   1HG   LYS  13           HG2      LYS  13  53.740  -0.597   9.852
  101   2HG   LYS  13           HG1      LYS  13  53.648  -1.624   8.421
  102   1HD   LYS  13           HD2      LYS  13  54.781  -3.435   9.595
  103   2HD   LYS  13           HD1      LYS  13  55.019  -2.408  11.009
  104   1HE   LYS  13           HE2      LYS  13  52.684  -2.360  11.501
  105   2HE   LYS  13           HE1      LYS  13  52.262  -3.012   9.906
  106   1HZ   LYS  13           HZ3      LYS  13  53.942  -4.874  10.719
  107   2HZ   LYS  13           HZ2      LYS  13  53.362  -4.382  12.237
  108   3HZ   LYS  13           HZ1      LYS  13  52.283  -4.952  11.055
  109    H    THR  14           HN       THR  14  53.846   1.426   9.672
  110    HA   THR  14           HA       THR  14  51.537   1.222   7.845
  111    HB   THR  14           HB       THR  14  50.297   1.817   9.827
  112    HG1  THR  14           HG1      THR  14  51.120   3.187  11.165
  113   1HG2  THR  14          HG23      THR  14  51.876  -0.381   9.716
  114   2HG2  THR  14          HG22      THR  14  52.488   0.358  11.195
  115   3HG2  THR  14          HG21      THR  14  50.778  -0.051  11.056
  116    H    ALA  15           HN       ALA  15  54.075   3.287   8.072
  117    HA   ALA  15           HA       ALA  15  52.927   5.904   8.220
  118   1HB   ALA  15           HB1      ALA  15  55.427   4.881   8.075
  119   2HB   ALA  15           HB3      ALA  15  55.214   5.338   6.386
  120   3HB   ALA  15           HB2      ALA  15  55.076   6.557   7.653
  121    H    GLU  16           HN       GLU  16  53.939   6.953   5.791
  122    HA   GLU  16           HA       GLU  16  52.421   5.693   3.603
  123   1HB   GLU  16           HB2      GLU  16  51.877   8.507   4.617
  124   2HB   GLU  16           HB1      GLU  16  51.046   7.696   3.286
  125   1HG   GLU  16           HG2      GLU  16  50.347   5.910   4.949
  126   2HG   GLU  16           HG1      GLU  16  50.968   6.960   6.224
  127    H    GLU  17           HN       GLU  17  52.570   8.550   2.468
  128    HA   GLU  17           HA       GLU  17  55.298   8.306   1.365
  129   1HB   GLU  17           HB2      GLU  17  54.400  10.150  -0.125
  130   2HB   GLU  17           HB1      GLU  17  53.454   8.662  -0.165
  131   1HG   GLU  17           HG2      GLU  17  51.702   9.580   1.062
  132   2HG   GLU  17           HG1      GLU  17  52.734  10.791   1.822
  133    H    ARG  18           HN       ARG  18  54.185   9.571   4.145
  134    HA   ARG  18           HA       ARG  18  55.382  12.246   3.926
  135   1HB   ARG  18           HB2      ARG  18  54.308  12.639   5.973
  136   2HB   ARG  18           HB1      ARG  18  53.262  11.436   5.229
  137   1HG   ARG  18           HG2      ARG  18  55.516  10.586   7.050
  138   2HG   ARG  18           HG1      ARG  18  53.969  11.097   7.708
  139   1HD   ARG  18           HD2      ARG  18  53.181   9.357   5.714
  140   2HD   ARG  18           HD1      ARG  18  54.653   8.587   6.340
  141    HE   ARG  18           HE       ARG  18  53.660   8.664   8.591
  142   1HH1  ARG  18          HH11      ARG  18  51.691  10.690   6.872
  143   2HH1  ARG  18          HH12      ARG  18  50.193   9.947   7.326
  144   1HH2  ARG  18          HH21      ARG  18  51.701   7.194   8.797
  145   2HH2  ARG  18          HH22      ARG  18  50.199   7.967   8.412
  146    H    GLU  19           HN       GLU  19  56.202   9.151   5.503
  147    HA   GLU  19           HA       GLU  19  58.731  10.389   6.464
  148   1HB   GLU  19           HB2      GLU  19  56.963   8.384   7.417
  149   2HB   GLU  19           HB1      GLU  19  58.481   7.575   7.011
  150   1HG   GLU  19           HG2      GLU  19  59.633   8.626   8.654
  151   2HG   GLU  19           HG1      GLU  19  58.812  10.162   8.375
  152    H    ILE  20           HN       ILE  20  57.560   7.665   4.515
  153    HA   ILE  20           HA       ILE  20  59.996   6.644   3.659
  154    HB   ILE  20           HB       ILE  20  57.212   6.668   2.880
  155   1HG1  ILE  20          HG12      ILE  20  57.767   4.357   2.268
  156   2HG1  ILE  20          HG11      ILE  20  59.486   4.742   2.347
  157   1HG2  ILE  20          HG21      ILE  20  59.233   6.926   0.675
  158   2HG2  ILE  20          HG23      ILE  20  57.858   5.848   0.455
  159   3HG2  ILE  20          HG22      ILE  20  57.594   7.564   0.760
  160   1HD1  ILE  20          HD11      ILE  20  59.055   5.482   4.763
  161   2HD1  ILE  20          HD13      ILE  20  57.490   4.682   4.616
  162   3HD1  ILE  20          HD12      ILE  20  58.977   3.749   4.450
  163    H    ARG  21           HN       ARG  21  58.544   9.761   2.925
  164    HA   ARG  21           HA       ARG  21  60.377  10.193   0.659
  165   1HB   ARG  21           HB2      ARG  21  58.665  11.556   0.068
  166   2HB   ARG  21           HB1      ARG  21  57.866  11.180   1.588
  167   1HG   ARG  21           HG2      ARG  21  60.033  13.277   1.459
  168   2HG   ARG  21           HG1      ARG  21  58.363  13.669   1.058
  169   1HD   ARG  21           HD2      ARG  21  57.601  12.990   3.262
  170   2HD   ARG  21           HD1      ARG  21  59.217  12.384   3.676
  171    HE   ARG  21           HE       ARG  21  59.787  14.615   4.170
  172   1HH1  ARG  21          HH11      ARG  21  59.930  15.708   1.513
  173   2HH1  ARG  21          HH12      ARG  21  58.652  16.876   1.457
  174   1HH2  ARG  21          HH21      ARG  21  56.998  15.589   4.221
  175   2HH2  ARG  21          HH22      ARG  21  56.992  16.810   2.992
  176    H    LYS  22           HN       LYS  22  60.422  10.598   4.023
  177    HA   LYS  22           HA       LYS  22  62.671  12.554   3.860
  178   1HB   LYS  22           HB2      LYS  22  60.340  12.559   5.360
  179   2HB   LYS  22           HB1      LYS  22  61.511  11.872   6.485
  180   1HG   LYS  22           HG2      LYS  22  62.901  13.968   5.301
  181   2HG   LYS  22           HG1      LYS  22  61.273  14.614   5.501
  182   1HD   LYS  22           HD2      LYS  22  62.772  14.984   7.493
  183   2HD   LYS  22           HD1      LYS  22  61.287  14.106   7.865
  184   1HE   LYS  22           HE2      LYS  22  62.403  12.139   8.299
  185   2HE   LYS  22           HE1      LYS  22  63.655  12.464   7.084
  186   1HZ   LYS  22           HZ2      LYS  22  64.518  14.230   8.503
  187   2HZ   LYS  22           HZ1      LYS  22  63.344  13.881   9.681
  188   3HZ   LYS  22           HZ3      LYS  22  64.546  12.740   9.319
  189    H    ALA  23           HN       ALA  23  61.599   9.368   4.687
  190    HA   ALA  23           HA       ALA  23  64.055   8.652   6.171
  191   1HB   ALA  23           HB2      ALA  23  61.368   7.712   5.835
  192   2HB   ALA  23           HB1      ALA  23  62.462   6.411   5.364
  193   3HB   ALA  23           HB3      ALA  23  62.583   7.128   6.971
  194    H    TYR  24           HN       TYR  24  62.524   8.018   3.012
  195    HA   TYR  24           HA       TYR  24  64.429   6.196   1.956
  196   1HB   TYR  24           HB2      TYR  24  62.338   6.654   0.841
  197   2HB   TYR  24           HB1      TYR  24  62.707   8.372   0.730
  198    HD1  TYR  24           HD2      TYR  24  64.875   9.013  -0.588
  199    HD2  TYR  24           HD1      TYR  24  62.872   5.232  -0.964
  200    HE1  TYR  24           HE2      TYR  24  65.977   8.645  -2.777
  201    HE2  TYR  24           HE1      TYR  24  63.972   4.868  -3.154
  202    HH   TYR  24           HH       TYR  24  65.057   6.019  -4.876
  203    H    LYS  25           HN       LYS  25  64.335   9.747   1.995
  204    HA   LYS  25           HA       LYS  25  66.920   9.994   0.629
  205   1HB   LYS  25           HB2      LYS  25  64.630  11.538   1.027
  206   2HB   LYS  25           HB1      LYS  25  65.858  12.344   2.005
  207   1HG   LYS  25           HG2      LYS  25  67.001  13.054   0.183
  208   2HG   LYS  25           HG1      LYS  25  66.848  11.492  -0.623
  209   1HD   LYS  25           HD2      LYS  25  65.590  12.944  -1.992
  210   2HD   LYS  25           HD1      LYS  25  64.370  12.159  -0.989
  211   1HE   LYS  25           HE2      LYS  25  65.091  14.319   0.575
  212   2HE   LYS  25           HE1      LYS  25  65.165  14.989  -1.067
  213   1HZ   LYS  25           HZ1      LYS  25  62.992  13.859  -1.480
  214   2HZ   LYS  25           HZ3      LYS  25  62.904  13.523   0.180
  215   3HZ   LYS  25           HZ2      LYS  25  62.914  15.135  -0.361
  216    H    ARG  26           HN       ARG  26  65.636  10.477   3.951
  217    HA   ARG  26           HA       ARG  26  68.061  11.461   5.116
  218   1HB   ARG  26           HB2      ARG  26  65.939  11.553   6.270
  219   2HB   ARG  26           HB1      ARG  26  65.767   9.799   6.201
  220   1HG   ARG  26           HG2      ARG  26  66.528  10.321   8.415
  221   2HG   ARG  26           HG1      ARG  26  67.911   9.648   7.553
  222   1HD   ARG  26           HD2      ARG  26  68.059  12.378   6.988
  223   2HD   ARG  26           HD1      ARG  26  67.588  12.315   8.698
  224    HE   ARG  26           HE       ARG  26  69.984  10.935   7.560
  225   1HH1  ARG  26          HH21      ARG  26  67.966  11.136  10.265
  226   2HH1  ARG  26          HH22      ARG  26  69.248  11.336  11.413
  227   1HH2  ARG  26          HH11      ARG  26  71.720  11.633   8.999
  228   2HH2  ARG  26          HH12      ARG  26  71.372  11.617  10.696
  229    H    LEU  27           HN       LEU  27  67.025   8.146   4.367
  230    HA   LEU  27           HA       LEU  27  69.354   7.007   5.775
  231   1HB   LEU  27           HB2      LEU  27  66.800   6.154   4.875
  232   2HB   LEU  27           HB1      LEU  27  68.000   5.167   4.037
  233    HG   LEU  27           HG       LEU  27  67.301   4.245   6.282
  234   1HD1  LEU  27          HD12      LEU  27  69.570   3.902   5.101
  235   2HD1  LEU  27          HD11      LEU  27  70.211   5.066   6.259
  236   3HD1  LEU  27          HD13      LEU  27  69.511   3.551   6.827
  237   1HD2  LEU  27          HD22      LEU  27  67.374   6.771   7.171
  238   2HD2  LEU  27          HD21      LEU  27  67.695   5.410   8.247
  239   3HD2  LEU  27          HD23      LEU  27  69.036   6.324   7.557
  240    H    ALA  28           HN       ALA  28  68.527   8.030   2.534
  241    HA   ALA  28           HA       ALA  28  70.540   6.441   1.176
  242   1HB   ALA  28           HB1      ALA  28  68.585   7.497   0.083
  243   2HB   ALA  28           HB3      ALA  28  69.259   9.085   0.456
  244   3HB   ALA  28           HB2      ALA  28  70.105   8.007  -0.656
  245    H    MET  29           HN       MET  29  70.515   9.385   3.016
  246    HA   MET  29           HA       MET  29  72.666  10.891   2.169
  247   1HB   MET  29           HB2      MET  29  71.245  11.174   4.186
  248   2HB   MET  29           HB1      MET  29  72.121   9.850   4.953
  249   1HG   MET  29           HG2      MET  29  74.017  11.104   5.285
  250   2HG   MET  29           HG1      MET  29  73.758  12.069   3.831
  251   1HE   MET  29           HE3      MET  29  73.101  13.902   3.576
  252   2HE   MET  29           HE2      MET  29  71.489  14.383   4.099
  253   3HE   MET  29           HE1      MET  29  72.904  15.146   4.818
  254    H    LYS  30           HN       LYS  30  72.748   7.897   4.033
  255    HA   LYS  30           HA       LYS  30  75.504   7.546   4.466
  256   1HB   LYS  30           HB2      LYS  30  73.017   6.084   4.451
  257   2HB   LYS  30           HB1      LYS  30  74.299   5.074   3.774
  258   1HG   LYS  30           HG2      LYS  30  75.066   4.684   5.850
  259   2HG   LYS  30           HG1      LYS  30  75.426   6.403   6.009
  260   1HD   LYS  30           HD2      LYS  30  72.583   5.606   6.369
  261   2HD   LYS  30           HD1      LYS  30  73.703   5.132   7.648
  262   1HE   LYS  30           HE2      LYS  30  73.890   7.941   6.627
  263   2HE   LYS  30           HE1      LYS  30  72.529   7.532   7.691
  264   1HZ   LYS  30           HZ1      LYS  30  75.122   6.448   8.441
  265   2HZ   LYS  30           HZ3      LYS  30  74.951   8.126   8.614
  266   3HZ   LYS  30           HZ2      LYS  30  73.884   7.079   9.420
  267    H    TYR  31           HN       TYR  31  73.667   7.497   1.552
  268    HA   TYR  31           HA       TYR  31  76.111   6.638   0.037
  269   1HB   TYR  31           HB2      TYR  31  73.334   5.596  -0.547
  270   2HB   TYR  31           HB1      TYR  31  74.876   4.980  -1.153
  271    HD1  TYR  31           HD2      TYR  31  76.616   4.348   0.799
  272    HD2  TYR  31           HD1      TYR  31  72.342   4.445   1.213
  273    HE1  TYR  31           HE2      TYR  31  76.769   2.806   2.736
  274    HE2  TYR  31           HE1      TYR  31  72.494   2.904   3.148
  275    HH   TYR  31           HH       TYR  31  75.458   1.298   3.993
  276    H    HIS  32           HN       HIS  32  73.741   8.945   0.399
  277    HA   HIS  32           HA       HIS  32  72.618   9.659  -1.988
  278   1HB   HIS  32           HB2      HIS  32  73.643  10.935   0.403
  279   2HB   HIS  32           HB1      HIS  32  73.787  12.013  -0.989
  280    HD1  HIS  32           HD1      HIS  32  71.732  12.806   1.074
  281    HD2  HIS  32           HD2      HIS  32  70.827  10.245  -2.089
  282    HE1  HIS  32           HE1      HIS  32  69.220  12.912   0.761
  283    HA   PRO  33           HA       PRO  33  75.411  10.666  -5.196
  284   1HB   PRO  33           HB2      PRO  33  74.878  13.319  -5.741
  285   2HB   PRO  33           HB1      PRO  33  73.824  11.973  -6.219
  286   1HG   PRO  33           HG2      PRO  33  73.652  13.731  -3.802
  287   2HG   PRO  33           HG1      PRO  33  72.376  13.274  -4.951
  288   1HD   PRO  33           HD2      PRO  33  72.551  12.002  -2.651
  289   2HD   PRO  33           HD1      PRO  33  72.268  11.074  -4.143
  290    H    ASP  34           HN       ASP  34  76.680  13.260  -5.694
  291    HA   ASP  34           HA       ASP  34  78.587  14.498  -4.992
  292   1HB   ASP  34           HB2      ASP  34  77.056  14.485  -2.825
  293   2HB   ASP  34           HB1      ASP  34  78.242  13.317  -2.240
  294    H    ARG  35           HN       ARG  35  78.443  11.538  -3.015
  295    HA   ARG  35           HA       ARG  35  81.168  10.747  -3.837
  296   1HB   ARG  35           HB2      ARG  35  80.866   9.196  -2.013
  297   2HB   ARG  35           HB1      ARG  35  80.167  10.720  -1.476
  298   1HG   ARG  35           HG2      ARG  35  77.924   9.872  -2.300
  299   2HG   ARG  35           HG1      ARG  35  78.685   8.302  -2.563
  300   1HD   ARG  35           HD2      ARG  35  77.504   8.584  -0.306
  301   2HD   ARG  35           HD1      ARG  35  79.202   8.075  -0.206
  302    HE   ARG  35           HE       ARG  35  79.722  10.191   0.712
  303   1HH1  ARG  35          HH21      ARG  35  79.371  12.427  -0.495
  304   2HH1  ARG  35          HH22      ARG  35  77.791  13.066  -0.180
  305   1HH2  ARG  35          HH11      ARG  35  76.508  10.052   0.957
  306   2HH2  ARG  35          HH12      ARG  35  76.171  11.721   0.642
  307    H    ASN  36           HN       ASN  36  77.796   9.996  -4.229
  308    HA   ASN  36           HA       ASN  36  78.229   7.450  -5.645
  309   1HB   ASN  36           HB2      ASN  36  76.026   9.092  -4.476
  310   2HB   ASN  36           HB1      ASN  36  75.597   8.037  -5.818
  311   1HD2  ASN  36          HD22      ASN  36  75.266   5.436  -3.459
  312   2HD2  ASN  36          HD21      ASN  36  74.488   6.413  -4.610
  313    H    GLN  37           HN       GLN  37  77.559  10.815  -6.375
  314    HA   GLN  37           HA       GLN  37  77.468  11.919  -8.449
  315   1HB   GLN  37           HB2      GLN  37  78.216   9.260  -9.665
  316   2HB   GLN  37           HB1      GLN  37  78.592  10.871 -10.275
  317   1HG   GLN  37           HG2      GLN  37  79.657  10.800  -7.673
  318   2HG   GLN  37           HG1      GLN  37  80.083   9.249  -8.395
  319   1HE2  GLN  37          HE22      GLN  37  82.335  12.296  -9.407
  320   2HE2  GLN  37          HE21      GLN  37  81.506  12.092  -7.940
  321    H    GLY  38           HN       GLY  38  75.141  11.948  -7.978
  322   1HA   GLY  38           HA2      GLY  38  72.951  11.744  -8.798
  323   2HA   GLY  38           HA1      GLY  38  73.620  10.908 -10.204
  324    H    ASP  39           HN       ASP  39  74.737   8.669  -9.312
  325    HA   ASP  39           HA       ASP  39  72.975   7.364  -7.317
  326   1HB   ASP  39           HB2      ASP  39  73.050   6.628 -10.257
  327   2HB   ASP  39           HB1      ASP  39  72.263   5.661  -9.009
  328    H    LYS  40           HN       LYS  40  74.501   5.543  -9.852
  329    HA   LYS  40           HA       LYS  40  76.297   4.053  -9.826
  330   1HB   LYS  40           HB2      LYS  40  77.172   6.162  -7.906
  331   2HB   LYS  40           HB1      LYS  40  78.237   4.856  -8.394
  332   1HG   LYS  40           HG2      LYS  40  76.925   6.898 -10.212
  333   2HG   LYS  40           HG1      LYS  40  78.639   6.806  -9.810
  334   1HD   LYS  40           HD2      LYS  40  78.911   5.439 -11.575
  335   2HD   LYS  40           HD1      LYS  40  77.942   4.236 -10.721
  336   1HE   LYS  40           HE2      LYS  40  75.877   5.208 -11.675
  337   2HE   LYS  40           HE1      LYS  40  76.854   6.405 -12.550
  338   1HZ   LYS  40           HZ2      LYS  40  78.130   4.489 -13.480
  339   2HZ   LYS  40           HZ1      LYS  40  76.956   3.450 -12.824
  340   3HZ   LYS  40           HZ3      LYS  40  76.519   4.576 -14.015
  341    H    GLU  41           HN       GLU  41  76.246   5.049  -6.405
  342    HA   GLU  41           HA       GLU  41  76.147   2.182  -5.635
  343   1HB   GLU  41           HB2      GLU  41  76.909   4.790  -4.442
  344   2HB   GLU  41           HB1      GLU  41  76.226   3.618  -3.318
  345   1HG   GLU  41           HG2      GLU  41  78.151   2.393  -5.135
  346   2HG   GLU  41           HG1      GLU  41  78.871   3.701  -4.196
  347    H    ALA  42           HN       ALA  42  74.029   4.784  -6.162
  348    HA   ALA  42           HA       ALA  42  71.998   3.912  -4.205
  349   1HB   ALA  42           HB2      ALA  42  72.689   6.297  -5.369
  350   2HB   ALA  42           HB1      ALA  42  71.325   5.812  -6.376
  351   3HB   ALA  42           HB3      ALA  42  71.118   5.983  -4.632
  352    H    GLU  43           HN       GLU  43  72.924   3.381  -7.522
  353    HA   GLU  43           HA       GLU  43  70.521   2.669  -8.782
  354   1HB   GLU  43           HB2      GLU  43  72.746   2.720  -9.834
  355   2HB   GLU  43           HB1      GLU  43  73.252   1.341  -8.857
  356   1HG   GLU  43           HG2      GLU  43  72.094  -0.159 -10.132
  357   2HG   GLU  43           HG1      GLU  43  70.761   0.959 -10.418
  358    H    ALA  44           HN       ALA  44  72.630   0.552  -6.802
  359    HA   ALA  44           HA       ALA  44  70.598  -1.587  -6.770
  360   1HB   ALA  44           HB1      ALA  44  73.382  -1.084  -5.793
  361   2HB   ALA  44           HB3      ALA  44  72.445  -2.314  -4.945
  362   3HB   ALA  44           HB2      ALA  44  72.741  -2.470  -6.676
  363    H    LYS  45           HN       LYS  45  72.003   0.743  -4.424
  364    HA   LYS  45           HA       LYS  45  70.569  -0.012  -2.146
  365   1HB   LYS  45           HB2      LYS  45  72.073   2.209  -3.068
  366   2HB   LYS  45           HB1      LYS  45  70.574   2.852  -2.382
  367   1HG   LYS  45           HG2      LYS  45  71.357   2.457  -0.315
  368   2HG   LYS  45           HG1      LYS  45  71.458   0.737  -0.693
  369   1HD   LYS  45           HD2      LYS  45  73.623   2.097  -1.993
  370   2HD   LYS  45           HD1      LYS  45  73.608   2.545  -0.286
  371   1HE   LYS  45           HE2      LYS  45  73.172  -0.093  -0.004
  372   2HE   LYS  45           HE1      LYS  45  74.073  -0.125  -1.532
  373   1HZ   LYS  45           HZ3      LYS  45  75.685   1.431  -0.443
  374   2HZ   LYS  45           HZ2      LYS  45  74.902   1.121   1.033
  375   3HZ   LYS  45           HZ1      LYS  45  75.678  -0.138   0.198
  376    H    PHE  46           HN       PHE  46  69.390   1.610  -5.057
  377    HA   PHE  46           HA       PHE  46  66.898   2.551  -4.005
  378   1HB   PHE  46           HB2      PHE  46  68.015   1.718  -6.668
  379   2HB   PHE  46           HB1      PHE  46  66.272   1.951  -6.542
  380    HD1  PHE  46           HD1      PHE  46  68.211   3.892  -4.205
  381    HD2  PHE  46           HD2      PHE  46  66.673   3.858  -8.217
  382    HE1  PHE  46           HE1      PHE  46  68.524   6.347  -4.346
  383    HE2  PHE  46           HE2      PHE  46  66.988   6.316  -8.358
  384    HZ   PHE  46           HZ       PHE  46  67.913   7.559  -6.421
  385    H    LYS  47           HN       LYS  47  68.068  -0.625  -4.900
  386    HA   LYS  47           HA       LYS  47  65.500  -1.909  -4.798
  387   1HB   LYS  47           HB2      LYS  47  66.772  -3.828  -5.349
  388   2HB   LYS  47           HB1      LYS  47  67.780  -2.540  -5.993
  389   1HG   LYS  47           HG2      LYS  47  69.464  -3.122  -4.643
  390   2HG   LYS  47           HG1      LYS  47  68.437  -3.021  -3.214
  391   1HD   LYS  47           HD2      LYS  47  68.597  -5.266  -3.110
  392   2HD   LYS  47           HD1      LYS  47  67.538  -5.299  -4.520
  393   1HE   LYS  47           HE2      LYS  47  69.324  -5.561  -6.021
  394   2HE   LYS  47           HE1      LYS  47  70.513  -4.935  -4.860
  395   1HZ   LYS  47           HZ1      LYS  47  70.076  -6.852  -3.442
  396   2HZ   LYS  47           HZ3      LYS  47  68.974  -7.464  -4.577
  397   3HZ   LYS  47           HZ2      LYS  47  70.623  -7.349  -4.971
  398    H    GLU  48           HN       GLU  48  67.632  -0.597  -2.537
  399    HA   GLU  48           HA       GLU  48  66.871  -2.446  -0.399
  400   1HB   GLU  48           HB2      GLU  48  68.634   0.016  -0.494
  401   2HB   GLU  48           HB1      GLU  48  68.419  -0.988   0.939
  402   1HG   GLU  48           HG2      GLU  48  69.169  -2.406  -1.563
  403   2HG   GLU  48           HG1      GLU  48  70.413  -1.391  -0.832
  404    H    ILE  49           HN       ILE  49  66.392   0.926  -1.378
  405    HA   ILE  49           HA       ILE  49  64.297   1.158   0.744
  406    HB   ILE  49           HB       ILE  49  65.709   3.226  -0.957
  407   1HG1  ILE  49          HG12      ILE  49  66.492   3.655   1.622
  408   2HG1  ILE  49          HG11      ILE  49  66.385   1.891   1.582
  409   1HG2  ILE  49          HG23      ILE  49  63.368   3.700  -0.057
  410   2HG2  ILE  49          HG22      ILE  49  64.095   3.652   1.550
  411   3HG2  ILE  49          HG21      ILE  49  64.629   4.855   0.377
  412   1HD1  ILE  49          HD13      ILE  49  67.702   3.361  -0.673
  413   2HD1  ILE  49          HD12      ILE  49  68.602   3.037   0.809
  414   3HD1  ILE  49          HD11      ILE  49  67.947   1.701  -0.137
  415    H    LYS  50           HN       LYS  50  64.970   1.747  -2.720
  416    HA   LYS  50           HA       LYS  50  62.273   2.634  -3.195
  417   1HB   LYS  50           HB2      LYS  50  64.591   2.875  -4.510
  418   2HB   LYS  50           HB1      LYS  50  63.995   1.441  -5.346
  419   1HG   LYS  50           HG2      LYS  50  61.772   3.112  -5.243
  420   2HG   LYS  50           HG1      LYS  50  63.110   4.214  -5.572
  421   1HD   LYS  50           HD2      LYS  50  63.466   3.360  -7.649
  422   2HD   LYS  50           HD1      LYS  50  63.194   1.701  -7.114
  423   1HE   LYS  50           HE2      LYS  50  61.256   1.916  -8.333
  424   2HE   LYS  50           HE1      LYS  50  60.670   2.740  -6.874
  425   1HZ   LYS  50           HZ2      LYS  50  61.812   4.784  -7.860
  426   2HZ   LYS  50           HZ1      LYS  50  61.804   3.931  -9.330
  427   3HZ   LYS  50           HZ3      LYS  50  60.339   4.299  -8.557
  428    H    GLU  51           HN       GLU  51  63.869  -0.484  -3.013
  429    HA   GLU  51           HA       GLU  51  61.607  -1.854  -4.367
  430   1HB   GLU  51           HB2      GLU  51  63.526  -2.999  -4.878
  431   2HB   GLU  51           HB1      GLU  51  64.361  -2.286  -3.521
  432   1HG   GLU  51           HG2      GLU  51  64.158  -4.759  -3.309
  433   2HG   GLU  51           HG1      GLU  51  63.387  -3.894  -1.980
  434    H    ALA  52           HN       ALA  52  62.933  -1.216  -1.180
  435    HA   ALA  52           HA       ALA  52  60.982  -2.936   0.221
  436   1HB   ALA  52           HB3      ALA  52  63.431  -2.533   0.834
  437   2HB   ALA  52           HB2      ALA  52  62.956  -0.901   1.300
  438   3HB   ALA  52           HB1      ALA  52  62.284  -2.290   2.150
  439    H    TYR  53           HN       TYR  53  61.814   0.530   0.087
  440    HA   TYR  53           HA       TYR  53  59.459   1.379   1.545
  441   1HB   TYR  53           HB2      TYR  53  60.786   3.177   1.744
  442   2HB   TYR  53           HB1      TYR  53  61.979   2.339   0.784
  443    HD1  TYR  53           HD1      TYR  53  60.834   2.393  -1.929
  444    HD2  TYR  53           HD2      TYR  53  60.810   5.396   1.136
  445    HE1  TYR  53           HE1      TYR  53  60.743   4.154  -3.660
  446    HE2  TYR  53           HE2      TYR  53  60.703   7.160  -0.595
  447    HH   TYR  53           HH       TYR  53  61.378   6.614  -3.819
  448    H    GLU  54           HN       GLU  54  59.608   0.100  -1.474
  449    HA   GLU  54           HA       GLU  54  57.934   2.024  -2.916
  450   1HB   GLU  54           HB2      GLU  54  59.110   0.774  -4.434
  451   2HB   GLU  54           HB1      GLU  54  59.272  -0.588  -3.332
  452   1HG   GLU  54           HG2      GLU  54  57.332  -1.585  -4.069
  453   2HG   GLU  54           HG1      GLU  54  56.549  -0.046  -4.419
  454    H    VAL  55           HN       VAL  55  57.431  -0.418  -0.557
  455    HA   VAL  55           HA       VAL  55  54.506  -0.371  -1.157
  456    HB   VAL  55           HB       VAL  55  54.562  -2.623  -1.323
  457   1HG1  VAL  55          HG11      VAL  55  57.478  -2.180  -0.902
  458   2HG1  VAL  55          HG13      VAL  55  56.845  -3.814  -0.890
  459   3HG1  VAL  55          HG12      VAL  55  56.623  -2.803  -2.311
  460   1HG2  VAL  55          HG23      VAL  55  55.869  -2.597   1.405
  461   2HG2  VAL  55          HG22      VAL  55  54.144  -2.742   1.070
  462   3HG2  VAL  55          HG21      VAL  55  55.243  -4.042   0.610
  463    H    LEU  56           HN       LEU  56  56.730   0.805   0.880
  464    HA   LEU  56           HA       LEU  56  55.596   0.193   3.483
  465   1HB   LEU  56           HB2      LEU  56  57.752   1.662   2.242
  466   2HB   LEU  56           HB1      LEU  56  57.003   2.640   3.508
  467    HG   LEU  56           HG       LEU  56  57.322   0.887   5.144
  468   1HD1  LEU  56          HD11      LEU  56  57.307  -0.785   2.869
  469   2HD1  LEU  56          HD13      LEU  56  58.903  -0.970   3.595
  470   3HD1  LEU  56          HD12      LEU  56  57.458  -1.280   4.554
  471   1HD2  LEU  56          HD23      LEU  56  59.548   1.954   3.563
  472   2HD2  LEU  56          HD22      LEU  56  59.366   1.851   5.315
  473   3HD2  LEU  56          HD21      LEU  56  59.968   0.463   4.408
  474    H    THR  57           HN       THR  57  54.418   1.981   0.908
  475    HA   THR  57           HA       THR  57  53.047   4.001   2.631
  476    HB   THR  57           HB       THR  57  53.214   5.355   0.806
  477    HG1  THR  57           HG1      THR  57  51.467   4.293  -0.159
  478   1HG2  THR  57          HG22      THR  57  55.417   4.047   0.730
  479   2HG2  THR  57          HG21      THR  57  54.709   3.141  -0.607
  480   3HG2  THR  57          HG23      THR  57  54.952   4.882  -0.751
  481    H    ASP  58           HN       ASP  58  52.561   1.013   1.046
  482    HA   ASP  58           HA       ASP  58  49.604   1.386   0.897
  483   1HB   ASP  58           HB2      ASP  58  50.928   0.553  -1.050
  484   2HB   ASP  58           HB1      ASP  58  51.436  -0.833  -0.077
  485    H    SER  59           HN       SER  59  48.411  -0.782   1.544
  486    HA   SER  59           HA       SER  59  49.434  -1.561   4.245
  487   1HB   SER  59           HB2      SER  59  47.134  -0.416   3.662
  488   2HB   SER  59           HB1      SER  59  46.655  -2.049   3.206
  489    HG   SER  59           HG       SER  59  46.232  -2.067   5.305
  490    H    GLN  60           HN       GLN  60  48.323  -2.868   1.147
  491    HA   GLN  60           HA       GLN  60  48.569  -5.656   2.150
  492   1HB   GLN  60           HB2      GLN  60  47.545  -6.183  -0.004
  493   2HB   GLN  60           HB1      GLN  60  46.668  -4.839   0.731
  494   1HG   GLN  60           HG2      GLN  60  48.459  -3.401  -0.601
  495   2HG   GLN  60           HG1      GLN  60  48.515  -4.837  -1.620
  496   1HE2  GLN  60          HE21      GLN  60  46.143  -2.575  -0.133
  497   2HE2  GLN  60          HE22      GLN  60  45.025  -2.665  -1.407
  498    H    LYS  61           HN       LYS  61  50.131  -3.408  -0.092
  499    HA   LYS  61           HA       LYS  61  51.861  -5.064  -1.518
  500   1HB   LYS  61           HB2      LYS  61  51.347  -2.372  -1.047
  501   2HB   LYS  61           HB1      LYS  61  53.011  -2.563  -0.512
  502   1HG   LYS  61           HG2      LYS  61  53.591  -3.583  -2.679
  503   2HG   LYS  61           HG1      LYS  61  51.913  -3.427  -3.203
  504   1HD   LYS  61           HD2      LYS  61  52.706  -0.874  -2.253
  505   2HD   LYS  61           HD1      LYS  61  54.007  -1.452  -3.298
  506   1HE   LYS  61           HE2      LYS  61  51.187  -1.819  -4.248
  507   2HE   LYS  61           HE1      LYS  61  51.908  -0.199  -4.345
  508   1HZ   LYS  61           HZ3      LYS  61  53.947  -1.692  -5.161
  509   2HZ   LYS  61           HZ2      LYS  61  52.662  -2.644  -5.733
  510   3HZ   LYS  61           HZ1      LYS  61  52.811  -1.025  -6.229
  511    H    ARG  62           HN       ARG  62  52.080  -3.785   1.764
  512    HA   ARG  62           HA       ARG  62  54.739  -4.614   2.366
  513   1HB   ARG  62           HB2      ARG  62  52.224  -4.352   4.057
  514   2HB   ARG  62           HB1      ARG  62  53.865  -4.395   4.703
  515   1HG   ARG  62           HG2      ARG  62  54.424  -2.310   3.755
  516   2HG   ARG  62           HG1      ARG  62  53.089  -2.378   2.605
  517   1HD   ARG  62           HD2      ARG  62  52.663  -0.782   4.498
  518   2HD   ARG  62           HD1      ARG  62  51.467  -2.092   4.432
  519    HE   ARG  62           HE       ARG  62  53.880  -2.480   6.128
  520   1HH1  ARG  62          HH21      ARG  62  51.995  -4.490   6.653
  521   2HH1  ARG  62          HH22      ARG  62  50.954  -3.853   7.882
  522   1HH2  ARG  62          HH11      ARG  62  51.889  -0.559   7.335
  523   2HH2  ARG  62          HH12      ARG  62  50.894  -1.626   8.269
  524    H    ALA  63           HN       ALA  63  51.689  -6.271   2.154
  525    HA   ALA  63           HA       ALA  63  52.848  -8.790   3.251
  526   1HB   ALA  63           HB2      ALA  63  50.562  -7.753   3.891
  527   2HB   ALA  63           HB1      ALA  63  50.029  -8.242   2.284
  528   3HB   ALA  63           HB3      ALA  63  50.555  -9.459   3.445
  529    H    ALA  64           HN       ALA  64  51.978  -7.136   0.358
  530    HA   ALA  64           HA       ALA  64  51.838  -9.528  -1.359
  531   1HB   ALA  64           HB1      ALA  64  50.705  -7.067  -1.393
  532   2HB   ALA  64           HB3      ALA  64  52.116  -6.746  -2.401
  533   3HB   ALA  64           HB2      ALA  64  50.965  -8.000  -2.866
  534    H    TYR  65           HN       TYR  65  53.839  -6.594  -1.177
  535    HA   TYR  65           HA       TYR  65  55.826  -7.489  -3.047
  536   1HB   TYR  65           HB2      TYR  65  55.070  -5.224  -1.575
  537   2HB   TYR  65           HB1      TYR  65  56.707  -5.591  -1.049
  538    HD1  TYR  65           HD1      TYR  65  54.655  -5.265  -4.166
  539    HD2  TYR  65           HD2      TYR  65  58.538  -4.938  -2.362
  540    HE1  TYR  65           HE1      TYR  65  55.560  -4.341  -6.282
  541    HE2  TYR  65           HE2      TYR  65  59.444  -4.015  -4.478
  542    HH   TYR  65           HH       TYR  65  58.738  -4.207  -7.014
  543    H    ASP  66           HN       ASP  66  55.553  -7.642   0.487
  544    HA   ASP  66           HA       ASP  66  58.155  -8.318   1.188
  545   1HB   ASP  66           HB2      ASP  66  57.065  -9.515   3.079
  546   2HB   ASP  66           HB1      ASP  66  56.283  -7.970   2.745
  547    H    GLN  67           HN       GLN  67  55.797 -10.232  -0.571
  548    HA   GLN  67           HA       GLN  67  57.693 -12.560  -0.507
  549   1HB   GLN  67           HB2      GLN  67  55.690 -13.926  -0.858
  550   2HB   GLN  67           HB1      GLN  67  55.447 -12.867   0.531
  551   1HG   GLN  67           HG2      GLN  67  54.079 -11.368  -0.724
  552   2HG   GLN  67           HG1      GLN  67  54.550 -12.108  -2.255
  553   1HE2  GLN  67          HE22      GLN  67  52.426 -14.994  -1.768
  554   2HE2  GLN  67          HE21      GLN  67  53.918 -14.541  -2.438
  555    H    TYR  68           HN       TYR  68  56.373 -10.118  -2.505
  556    HA   TYR  68           HA       TYR  68  56.948 -11.737  -4.964
  557   1HB   TYR  68           HB2      TYR  68  54.882  -9.843  -4.139
  558   2HB   TYR  68           HB1      TYR  68  55.606  -9.402  -5.688
  559    HD1  TYR  68           HD2      TYR  68  56.244 -11.846  -7.013
  560    HD2  TYR  68           HD1      TYR  68  52.882 -10.990  -4.480
  561    HE1  TYR  68           HE2      TYR  68  54.943 -13.635  -8.132
  562    HE2  TYR  68           HE1      TYR  68  51.581 -12.781  -5.599
  563    HH   TYR  68           HH       TYR  68  51.616 -13.947  -7.840
  564    H    GLY  69           HN       GLY  69  57.229  -9.610  -6.746
  565   1HA   GLY  69           HA2      GLY  69  58.592  -7.429  -6.712
  566   2HA   GLY  69           HA1      GLY  69  59.773  -8.364  -5.792
  567    H    HIS  70           HN       HIS  70  58.433 -10.518  -7.877
  568    HA   HIS  70           HA       HIS  70  60.618 -10.105  -9.874
  569   1HB   HIS  70           HB2      HIS  70  60.619 -12.152  -8.440
  570   2HB   HIS  70           HB1      HIS  70  59.028 -12.570  -9.089
  571    HD1  HIS  70           HD1      HIS  70  61.477 -11.037 -11.429
  572    HD2  HIS  70           HD2      HIS  70  60.233 -14.873 -10.374
  573    HE1  HIS  70           HE1      HIS  70  62.376 -12.596 -13.211
  574    H    ALA  71           HN       ALA  71  58.321 -12.406 -10.809
  575    HA   ALA  71           HA       ALA  71  57.281 -10.618 -12.918
  576   1HB   ALA  71           HB3      ALA  71  57.999 -13.315 -12.658
  577   2HB   ALA  71           HB2      ALA  71  56.239 -13.343 -12.763
  578   3HB   ALA  71           HB1      ALA  71  57.187 -12.590 -14.046
  579    H    ALA  72           HN       ALA  72  56.540 -10.629  -9.897
  580    HA   ALA  72           HA       ALA  72  54.072 -11.551  -9.202
  581   1HB   ALA  72           HB3      ALA  72  55.625  -9.945  -7.993
  582   2HB   ALA  72           HB2      ALA  72  54.886  -8.645  -8.929
  583   3HB   ALA  72           HB1      ALA  72  53.908  -9.591  -7.808
  584    H    PHE  73           HN       PHE  73  54.647  -8.889 -11.508
  585    HA   PHE  73           HA       PHE  73  51.709  -8.894 -12.101
  586   1HB   PHE  73           HB2      PHE  73  53.726  -6.841 -11.587
  587   2HB   PHE  73           HB1      PHE  73  52.834  -6.542 -13.077
  588    HD1  PHE  73           HD2      PHE  73  50.207  -7.775 -12.409
  589    HD2  PHE  73           HD1      PHE  73  52.798  -5.276 -10.065
  590    HE1  PHE  73           HE2      PHE  73  48.260  -7.002 -11.080
  591    HE2  PHE  73           HE1      PHE  73  50.851  -4.505  -8.735
  592    HZ   PHE  73           HZ       PHE  73  48.583  -5.368  -9.242
  593    H    GLU  74           HN       GLU  74  54.971  -8.944 -13.483
  594    HA   GLU  74           HA       GLU  74  54.025 -10.206 -15.919
  595   1HB   GLU  74           HB2      GLU  74  54.549  -8.263 -17.397
  596   2HB   GLU  74           HB1      GLU  74  53.231  -7.911 -16.278
  597   1HG   GLU  74           HG2      GLU  74  54.427  -6.320 -15.189
  598   2HG   GLU  74           HG1      GLU  74  55.894  -7.298 -15.189
  599    H    GLN  75           HN       GLN  75  56.392  -8.490 -17.209
  600    HA   GLN  75           HA       GLN  75  58.702  -8.849 -17.542
  601   1HB   GLN  75           HB2      GLN  75  58.271  -8.256 -14.941
  602   2HB   GLN  75           HB1      GLN  75  58.962  -9.868 -14.755
  603   1HG   GLN  75           HG2      GLN  75  60.968  -8.821 -14.893
  604   2HG   GLN  75           HG1      GLN  75  60.639  -8.738 -16.623
  605   1HE2  GLN  75          HE22      GLN  75  59.366  -5.276 -16.262
  606   2HE2  GLN  75          HE21      GLN  75  58.796  -6.739 -16.907
  607    H    GLY  76           HN       GLY  76  56.609 -11.171 -17.592
  608   1HA   GLY  76           HA2      GLY  76  58.646 -13.298 -17.924
  609   2HA   GLY  76           HA1      GLY  76  57.312 -13.631 -16.818
  610    H    GLY  77           HN       GLY  77  56.617 -11.602 -19.525
  611   1HA   GLY  77           HA2      GLY  77  56.097 -13.012 -21.727
  612   2HA   GLY  77           HA1      GLY  77  54.912 -13.750 -20.647
   
  No H/Q in entry =         612
  Start of MODEL   20
    1   1H    ALA   1           HT1      ALA   1  68.359 -12.636   6.774
    2   2H    ALA   1           HT3      ALA   1  68.824 -12.021   5.264
    3   3H    ALA   1           HT2      ALA   1  67.832 -11.096   6.287
    4    HA   ALA   1           HA       ALA   1  66.530 -12.091   4.489
    5   1HB   ALA   1           HB2      ALA   1  68.156 -13.977   4.261
    6   2HB   ALA   1           HB1      ALA   1  67.536 -14.656   5.766
    7   3HB   ALA   1           HB3      ALA   1  66.486 -14.538   4.354
    8    H    LYS   2           HN       LYS   2  66.889 -12.132   7.843
    9    HA   LYS   2           HA       LYS   2  64.058 -13.025   8.267
   10   1HB   LYS   2           HB2      LYS   2  66.625 -13.276   9.705
   11   2HB   LYS   2           HB1      LYS   2  65.250 -12.876  10.737
   12   1HG   LYS   2           HG2      LYS   2  65.025 -15.171  10.716
   13   2HG   LYS   2           HG1      LYS   2  64.088 -14.790   9.271
   14   1HD   LYS   2           HD2      LYS   2  66.461 -14.943   8.098
   15   2HD   LYS   2           HD1      LYS   2  66.836 -15.953   9.495
   16   1HE   LYS   2           HE2      LYS   2  64.363 -16.922   8.739
   17   2HE   LYS   2           HE1      LYS   2  65.123 -16.552   7.179
   18   1HZ   LYS   2           HZ3      LYS   2  67.194 -17.591   8.386
   19   2HZ   LYS   2           HZ2      LYS   2  65.997 -18.397   9.283
   20   3HZ   LYS   2           HZ1      LYS   2  66.062 -18.576   7.595
   21    H    GLN   3           HN       GLN   3  65.016 -10.303   7.369
   22    HA   GLN   3           HA       GLN   3  63.730  -8.741   9.579
   23   1HB   GLN   3           HB2      GLN   3  66.380  -8.375   8.202
   24   2HB   GLN   3           HB1      GLN   3  65.518  -6.962   8.811
   25   1HG   GLN   3           HG2      GLN   3  66.831  -7.575  10.653
   26   2HG   GLN   3           HG1      GLN   3  65.293  -8.360  11.009
   27   1HE2  GLN   3          HE22      GLN   3  67.350 -11.243  11.486
   28   2HE2  GLN   3          HE21      GLN   3  66.522  -9.997  12.288
   29    H    ASP   4           HN       ASP   4  61.946  -7.859   8.716
   30    HA   ASP   4           HA       ASP   4  61.204  -7.702   6.022
   31   1HB   ASP   4           HB2      ASP   4  59.924  -7.335   8.224
   32   2HB   ASP   4           HB1      ASP   4  60.492  -5.666   8.135
   33    H    TYR   5           HN       TYR   5  60.795  -5.463   4.883
   34    HA   TYR   5           HA       TYR   5  63.365  -3.931   4.972
   35   1HB   TYR   5           HB2      TYR   5  61.852  -3.449   2.578
   36   2HB   TYR   5           HB1      TYR   5  63.417  -4.243   2.743
   37    HD1  TYR   5           HD2      TYR   5  63.311  -6.750   3.611
   38    HD2  TYR   5           HD1      TYR   5  60.056  -4.668   1.743
   39    HE1  TYR   5           HE2      TYR   5  62.264  -8.920   3.023
   40    HE2  TYR   5           HE1      TYR   5  59.004  -6.837   1.155
   41    HH   TYR   5           HH       TYR   5  59.041  -9.158   1.896
   42    H    TYR   6           HN       TYR   6  60.560  -3.559   6.377
   43    HA   TYR   6           HA       TYR   6  59.708  -0.942   5.360
   44   1HB   TYR   6           HB2      TYR   6  57.853  -1.491   6.529
   45   2HB   TYR   6           HB1      TYR   6  58.619  -3.045   6.832
   46    HD1  TYR   6           HD2      TYR   6  58.934   0.473   8.171
   47    HD2  TYR   6           HD1      TYR   6  58.605  -3.722   9.044
   48    HE1  TYR   6           HE2      TYR   6  59.003   0.963  10.590
   49    HE2  TYR   6           HE1      TYR   6  58.661  -3.215  11.469
   50    HH   TYR   6           HH       TYR   6  59.626  -1.264  12.916
   51    H    GLU   7           HN       GLU   7  61.288  -2.221   8.272
   52    HA   GLU   7           HA       GLU   7  61.907   0.380   9.357
   53   1HB   GLU   7           HB2      GLU   7  61.869  -2.254  10.197
   54   2HB   GLU   7           HB1      GLU   7  63.598  -1.906  10.124
   55   1HG   GLU   7           HG2      GLU   7  61.553  -0.189  11.564
   56   2HG   GLU   7           HG1      GLU   7  62.612  -1.360  12.350
   57    H    ILE   8           HN       ILE   8  63.519  -1.873   7.180
   58    HA   ILE   8           HA       ILE   8  66.178  -1.043   7.260
   59    HB   ILE   8           HB       ILE   8  64.357  -2.398   5.495
   60   1HG1  ILE   8          HG12      ILE   8  67.091  -2.769   4.742
   61   2HG1  ILE   8          HG11      ILE   8  67.024  -2.572   6.494
   62   1HG2  ILE   8          HG23      ILE   8  66.208  -0.421   4.143
   63   2HG2  ILE   8          HG22      ILE   8  65.607  -1.867   3.333
   64   3HG2  ILE   8          HG21      ILE   8  64.477  -0.632   3.884
   65   1HD1  ILE   8          HD13      ILE   8  65.151  -4.272   6.518
   66   2HD1  ILE   8          HD12      ILE   8  65.494  -4.574   4.814
   67   3HD1  ILE   8          HD11      ILE   8  66.720  -4.916   6.035
   68    H    LEU   9           HN       LEU   9  63.368   0.730   6.126
   69    HA   LEU   9           HA       LEU   9  65.121   2.891   5.035
   70   1HB   LEU   9           HB2      LEU   9  62.104   2.782   4.967
   71   2HB   LEU   9           HB1      LEU   9  63.203   3.538   3.815
   72    HG   LEU   9           HG       LEU   9  63.070   0.543   4.259
   73   1HD1  LEU   9          HD11      LEU   9  61.270   2.312   2.825
   74   2HD1  LEU   9          HD13      LEU   9  62.041   1.159   1.735
   75   3HD1  LEU   9          HD12      LEU   9  61.127   0.582   3.127
   76   1HD2  LEU   9          HD22      LEU   9  64.369   2.355   2.212
   77   2HD2  LEU   9          HD21      LEU   9  65.157   1.195   3.281
   78   3HD2  LEU   9          HD23      LEU   9  64.154   0.624   1.950
   79    H    GLY  10           HN       GLY  10  64.673   2.297   7.991
   80   1HA   GLY  10           HA2      GLY  10  64.076   3.470   9.954
   81   2HA   GLY  10           HA1      GLY  10  64.591   4.888   9.033
   82    H    VAL  11           HN       VAL  11  61.798   2.702   9.418
   83    HA   VAL  11           HA       VAL  11  59.987   5.064   9.209
   84    HB   VAL  11           HB       VAL  11  59.478   2.532   7.641
   85   1HG1  VAL  11          HG13      VAL  11  58.091   4.939   8.049
   86   2HG1  VAL  11          HG12      VAL  11  58.742   5.047   6.414
   87   3HG1  VAL  11          HG11      VAL  11  57.715   3.686   6.868
   88   1HG2  VAL  11          HG22      VAL  11  61.289   4.832   6.915
   89   2HG2  VAL  11          HG21      VAL  11  61.597   3.102   6.766
   90   3HG2  VAL  11          HG23      VAL  11  60.465   3.895   5.670
   91    H    SER  12           HN       SER  12  57.629   3.419   9.057
   92    HA   SER  12           HA       SER  12  57.742   1.874  11.616
   93   1HB   SER  12           HB2      SER  12  56.663   3.919  12.130
   94   2HB   SER  12           HB1      SER  12  55.845   3.975  10.572
   95    HG   SER  12           HG       SER  12  55.370   2.197  12.734
   96    H    LYS  13           HN       LYS  13  57.133   1.814   8.316
   97    HA   LYS  13           HA       LYS  13  56.323   0.067   6.964
   98   1HB   LYS  13           HB2      LYS  13  56.420  -1.941   7.969
   99   2HB   LYS  13           HB1      LYS  13  56.767  -1.069   9.457
  100   1HG   LYS  13           HG2      LYS  13  54.153  -0.868   9.642
  101   2HG   LYS  13           HG1      LYS  13  54.156  -2.229   8.523
  102   1HD   LYS  13           HD2      LYS  13  55.395  -3.598  10.041
  103   2HD   LYS  13           HD1      LYS  13  55.781  -2.220  11.073
  104   1HE   LYS  13           HE2      LYS  13  53.489  -2.021  11.805
  105   2HE   LYS  13           HE1      LYS  13  52.946  -3.203  10.595
  106   1HZ   LYS  13           HZ1      LYS  13  54.888  -4.572  11.773
  107   2HZ   LYS  13           HZ3      LYS  13  54.380  -3.636  13.093
  108   3HZ   LYS  13           HZ2      LYS  13  53.272  -4.643  12.288
  109    H    THR  14           HN       THR  14  54.254   1.252   9.599
  110    HA   THR  14           HA       THR  14  51.823   0.872   7.961
  111    HB   THR  14           HB       THR  14  50.704   1.492   9.984
  112    HG1  THR  14           HG1      THR  14  51.617   2.745  11.493
  113   1HG2  THR  14          HG23      THR  14  52.013  -0.669  10.070
  114   2HG2  THR  14          HG22      THR  14  53.278   0.211  10.929
  115   3HG2  THR  14          HG21      THR  14  51.675   0.047  11.644
  116    H    ALA  15           HN       ALA  15  54.338   2.971   7.924
  117    HA   ALA  15           HA       ALA  15  53.068   5.566   7.909
  118   1HB   ALA  15           HB3      ALA  15  55.489   5.140   8.296
  119   2HB   ALA  15           HB2      ALA  15  55.635   4.526   6.649
  120   3HB   ALA  15           HB1      ALA  15  55.251   6.225   6.925
  121    H    GLU  16           HN       GLU  16  53.995   6.675   5.588
  122    HA   GLU  16           HA       GLU  16  52.817   5.165   3.319
  123   1HB   GLU  16           HB2      GLU  16  52.014   7.951   4.249
  124   2HB   GLU  16           HB1      GLU  16  51.426   7.163   2.780
  125   1HG   GLU  16           HG2      GLU  16  50.889   5.236   4.631
  126   2HG   GLU  16           HG1      GLU  16  50.674   6.692   5.604
  127    H    GLU  17           HN       GLU  17  53.018   8.290   2.404
  128    HA   GLU  17           HA       GLU  17  55.722   7.945   1.260
  129   1HB   GLU  17           HB2      GLU  17  53.367   9.792   0.866
  130   2HB   GLU  17           HB1      GLU  17  54.929  10.156   0.132
  131   1HG   GLU  17           HG2      GLU  17  53.971   7.373  -0.219
  132   2HG   GLU  17           HG1      GLU  17  53.047   8.611  -1.069
  133    H    ARG  18           HN       ARG  18  54.001   9.901   3.615
  134    HA   ARG  18           HA       ARG  18  55.664  12.103   3.941
  135   1HB   ARG  18           HB2      ARG  18  54.519  12.374   5.960
  136   2HB   ARG  18           HB1      ARG  18  53.453  11.271   5.096
  137   1HG   ARG  18           HG2      ARG  18  55.617  10.228   6.935
  138   2HG   ARG  18           HG1      ARG  18  54.038  10.699   7.551
  139   1HD   ARG  18           HD2      ARG  18  53.707   9.033   5.203
  140   2HD   ARG  18           HD1      ARG  18  54.709   8.210   6.413
  141    HE   ARG  18           HE       ARG  18  52.678   7.947   7.587
  142   1HH1  ARG  18          HH21      ARG  18  51.771  10.071   5.254
  143   2HH1  ARG  18          HH22      ARG  18  50.758  11.063   6.248
  144   1HH2  ARG  18          HH11      ARG  18  51.817   9.622   9.223
  145   2HH2  ARG  18          HH12      ARG  18  50.780  10.805   8.496
  146    H    GLU  19           HN       GLU  19  56.291   8.817   5.219
  147    HA   GLU  19           HA       GLU  19  58.819   9.904   6.371
  148   1HB   GLU  19           HB2      GLU  19  56.936   7.956   7.192
  149   2HB   GLU  19           HB1      GLU  19  58.423   7.084   6.800
  150   1HG   GLU  19           HG2      GLU  19  59.633   8.114   8.443
  151   2HG   GLU  19           HG1      GLU  19  58.737   9.626   8.300
  152    H    ILE  20           HN       ILE  20  57.584   7.421   4.166
  153    HA   ILE  20           HA       ILE  20  60.097   6.382   3.404
  154    HB   ILE  20           HB       ILE  20  57.329   6.270   2.633
  155   1HG1  ILE  20          HG12      ILE  20  57.994   4.019   1.951
  156   2HG1  ILE  20          HG11      ILE  20  59.690   4.499   1.977
  157   1HG2  ILE  20          HG22      ILE  20  59.308   6.652   0.393
  158   2HG2  ILE  20          HG21      ILE  20  57.915   5.594   0.177
  159   3HG2  ILE  20          HG23      ILE  20  57.676   7.302   0.547
  160   1HD1  ILE  20          HD13      ILE  20  59.073   5.221   4.468
  161   2HD1  ILE  20          HD12      ILE  20  57.831   3.988   4.261
  162   3HD1  ILE  20          HD11      ILE  20  59.534   3.563   4.082
  163    H    ARG  21           HN       ARG  21  58.704   9.508   2.879
  164    HA   ARG  21           HA       ARG  21  60.311  10.038   0.476
  165   1HB   ARG  21           HB2      ARG  21  59.120  12.127   0.447
  166   2HB   ARG  21           HB1      ARG  21  57.959  10.900   0.949
  167   1HG   ARG  21           HG2      ARG  21  58.327  11.492   3.299
  168   2HG   ARG  21           HG1      ARG  21  59.518  12.701   2.822
  169   1HD   ARG  21           HD2      ARG  21  57.682  13.793   1.424
  170   2HD   ARG  21           HD1      ARG  21  56.540  12.716   2.252
  171    HE   ARG  21           HE       ARG  21  56.784  14.089   4.150
  172   1HH1  ARG  21          HH11      ARG  21  59.133  14.917   1.829
  173   2HH1  ARG  21          HH12      ARG  21  60.148  15.777   2.938
  174   1HH2  ARG  21          HH21      ARG  21  58.282  14.915   5.731
  175   2HH2  ARG  21          HH22      ARG  21  59.666  15.777   5.146
  176    H    LYS  22           HN       LYS  22  60.342  10.973   3.892
  177    HA   LYS  22           HA       LYS  22  62.834  12.493   3.483
  178   1HB   LYS  22           HB2      LYS  22  62.479  12.969   5.932
  179   2HB   LYS  22           HB1      LYS  22  61.128  13.469   4.912
  180   1HG   LYS  22           HG2      LYS  22  59.787  11.719   5.594
  181   2HG   LYS  22           HG1      LYS  22  61.157  10.706   6.040
  182   1HD   LYS  22           HD2      LYS  22  60.201  13.170   7.529
  183   2HD   LYS  22           HD1      LYS  22  60.034  11.500   8.071
  184   1HE   LYS  22           HE2      LYS  22  62.641  11.410   7.799
  185   2HE   LYS  22           HE1      LYS  22  62.528  13.180   7.888
  186   1HZ   LYS  22           HZ2      LYS  22  60.912  11.669   9.782
  187   2HZ   LYS  22           HZ1      LYS  22  62.590  11.647  10.051
  188   3HZ   LYS  22           HZ3      LYS  22  61.759  13.126   9.998
  189    H    ALA  23           HN       ALA  23  61.577   9.460   4.578
  190    HA   ALA  23           HA       ALA  23  63.968   8.640   6.067
  191   1HB   ALA  23           HB1      ALA  23  61.499   7.834   6.240
  192   2HB   ALA  23           HB3      ALA  23  61.871   6.848   4.825
  193   3HB   ALA  23           HB2      ALA  23  62.763   6.610   6.327
  194    H    TYR  24           HN       TYR  24  62.536   7.785   2.901
  195    HA   TYR  24           HA       TYR  24  64.598   6.140   1.905
  196   1HB   TYR  24           HB2      TYR  24  62.507   6.411   0.745
  197   2HB   TYR  24           HB1      TYR  24  62.726   8.154   0.640
  198    HD1  TYR  24           HD1      TYR  24  65.687   6.112   0.104
  199    HD2  TYR  24           HD2      TYR  24  62.310   7.932  -1.828
  200    HE1  TYR  24           HE1      TYR  24  66.808   5.864  -2.090
  201    HE2  TYR  24           HE2      TYR  24  63.433   7.683  -4.022
  202    HH   TYR  24           HH       TYR  24  65.440   5.856  -4.860
  203    H    LYS  25           HN       LYS  25  64.285   9.653   2.054
  204    HA   LYS  25           HA       LYS  25  66.812  10.151   0.638
  205   1HB   LYS  25           HB2      LYS  25  64.485  11.623   1.720
  206   2HB   LYS  25           HB1      LYS  25  66.010  12.509   1.777
  207   1HG   LYS  25           HG2      LYS  25  66.163  11.485  -0.728
  208   2HG   LYS  25           HG1      LYS  25  64.412  11.641  -0.570
  209   1HD   LYS  25           HD2      LYS  25  64.813  14.019   0.237
  210   2HD   LYS  25           HD1      LYS  25  66.491  13.820  -0.267
  211   1HE   LYS  25           HE2      LYS  25  65.316  12.987  -2.531
  212   2HE   LYS  25           HE1      LYS  25  64.034  14.067  -1.946
  213   1HZ   LYS  25           HZ1      LYS  25  66.880  14.874  -1.910
  214   2HZ   LYS  25           HZ3      LYS  25  65.913  15.122  -3.282
  215   3HZ   LYS  25           HZ2      LYS  25  65.499  15.859  -1.809
  216    H    ARG  26           HN       ARG  26  65.561  10.432   3.992
  217    HA   ARG  26           HA       ARG  26  68.038  11.464   5.093
  218   1HB   ARG  26           HB2      ARG  26  65.823  11.697   6.134
  219   2HB   ARG  26           HB1      ARG  26  65.727   9.947   6.346
  220   1HG   ARG  26           HG2      ARG  26  66.478  11.219   8.402
  221   2HG   ARG  26           HG1      ARG  26  67.587   9.953   7.872
  222   1HD   ARG  26           HD2      ARG  26  69.101  11.525   6.918
  223   2HD   ARG  26           HD1      ARG  26  67.899  12.832   6.980
  224    HE   ARG  26           HE       ARG  26  68.688  11.564   9.547
  225   1HH1  ARG  26          HH21      ARG  26  69.669  13.934   7.331
  226   2HH1  ARG  26          HH22      ARG  26  69.810  15.201   8.503
  227   1HH2  ARG  26          HH11      ARG  26  68.474  13.314  11.090
  228   2HH2  ARG  26          HH12      ARG  26  69.135  14.849  10.634
  229    H    LEU  27           HN       LEU  27  66.864   8.150   4.549
  230    HA   LEU  27           HA       LEU  27  68.977   6.958   6.191
  231   1HB   LEU  27           HB2      LEU  27  66.540   6.200   4.946
  232   2HB   LEU  27           HB1      LEU  27  67.799   5.142   4.312
  233    HG   LEU  27           HG       LEU  27  66.832   4.198   6.371
  234   1HD1  LEU  27          HD11      LEU  27  69.608   4.824   5.932
  235   2HD1  LEU  27          HD13      LEU  27  69.281   4.812   7.664
  236   3HD1  LEU  27          HD12      LEU  27  68.909   3.392   6.687
  237   1HD2  LEU  27          HD23      LEU  27  67.512   6.938   7.398
  238   2HD2  LEU  27          HD22      LEU  27  66.050   5.984   7.654
  239   3HD2  LEU  27          HD21      LEU  27  67.534   5.571   8.512
  240    H    ALA  28           HN       ALA  28  68.554   7.710   2.750
  241    HA   ALA  28           HA       ALA  28  70.771   6.086   1.828
  242   1HB   ALA  28           HB3      ALA  28  69.096   8.352   0.811
  243   2HB   ALA  28           HB2      ALA  28  70.554   7.898  -0.073
  244   3HB   ALA  28           HB1      ALA  28  69.266   6.718   0.169
  245    H    MET  29           HN       MET  29  70.372   9.319   3.108
  246    HA   MET  29           HA       MET  29  72.785  10.557   2.394
  247   1HB   MET  29           HB2      MET  29  71.085  10.482   4.883
  248   2HB   MET  29           HB1      MET  29  72.473  11.564   4.750
  249   1HG   MET  29           HG2      MET  29  71.121  11.926   2.345
  250   2HG   MET  29           HG1      MET  29  69.827  11.790   3.534
  251   1HE   MET  29           HE2      MET  29  69.948  13.836   1.916
  252   2HE   MET  29           HE1      MET  29  69.563  15.166   3.005
  253   3HE   MET  29           HE3      MET  29  71.066  15.188   2.073
  254    H    LYS  30           HN       LYS  30  72.033   8.301   4.981
  255    HA   LYS  30           HA       LYS  30  74.532   8.063   6.288
  256   1HB   LYS  30           HB2      LYS  30  71.971   6.717   5.976
  257   2HB   LYS  30           HB1      LYS  30  73.284   5.546   6.151
  258   1HG   LYS  30           HG2      LYS  30  73.619   6.071   8.329
  259   2HG   LYS  30           HG1      LYS  30  73.536   7.803   8.003
  260   1HD   LYS  30           HD2      LYS  30  70.948   7.235   7.658
  261   2HD   LYS  30           HD1      LYS  30  71.351   5.909   8.749
  262   1HE   LYS  30           HE2      LYS  30  71.399   7.318  10.522
  263   2HE   LYS  30           HE1      LYS  30  72.533   8.397   9.683
  264   1HZ   LYS  30           HZ3      LYS  30  69.691   8.280   8.892
  265   2HZ   LYS  30           HZ2      LYS  30  70.185   9.272  10.180
  266   3HZ   LYS  30           HZ1      LYS  30  70.819   9.518   8.623
  267    H    TYR  31           HN       TYR  31  73.487   7.120   3.159
  268    HA   TYR  31           HA       TYR  31  75.808   5.260   2.805
  269   1HB   TYR  31           HB2      TYR  31  73.376   5.675   1.037
  270   2HB   TYR  31           HB1      TYR  31  74.501   4.313   1.010
  271    HD1  TYR  31           HD1      TYR  31  74.686   4.328   4.183
  272    HD2  TYR  31           HD2      TYR  31  71.456   4.157   1.358
  273    HE1  TYR  31           HE1      TYR  31  73.293   3.131   5.849
  274    HE2  TYR  31           HE2      TYR  31  70.060   2.961   3.023
  275    HH   TYR  31           HH       TYR  31  70.080   1.891   5.005
  276    H    HIS  32           HN       HIS  32  73.991   7.862   1.147
  277    HA   HIS  32           HA       HIS  32  75.322   8.476  -1.119
  278   1HB   HIS  32           HB2      HIS  32  74.268  10.041   1.156
  279   2HB   HIS  32           HB1      HIS  32  75.371  10.931   0.102
  280    HD1  HIS  32           HD1      HIS  32  74.696   9.859  -2.635
  281    HD2  HIS  32           HD2      HIS  32  71.757  10.711   0.197
  282    HE1  HIS  32           HE1      HIS  32  72.542  10.209  -3.920
  283    HA   PRO  33           HA       PRO  33  79.594   8.297   0.498
  284   1HB   PRO  33           HB2      PRO  33  80.647   7.795  -1.955
  285   2HB   PRO  33           HB1      PRO  33  79.908   6.503  -0.980
  286   1HG   PRO  33           HG2      PRO  33  78.632   8.218  -3.070
  287   2HG   PRO  33           HG1      PRO  33  78.696   6.442  -3.002
  288   1HD   PRO  33           HD2      PRO  33  76.546   7.657  -2.173
  289   2HD   PRO  33           HD1      PRO  33  77.241   6.386  -1.131
  290    H    ASP  34           HN       ASP  34  77.858  10.025  -1.934
  291    HA   ASP  34           HA       ASP  34  78.044  12.278  -2.625
  292   1HB   ASP  34           HB2      ASP  34  79.021  12.309  -0.221
  293   2HB   ASP  34           HB1      ASP  34  80.585  12.379  -1.030
  294    H    ARG  35           HN       ARG  35  81.252  10.638  -2.384
  295    HA   ARG  35           HA       ARG  35  82.517  11.782  -4.610
  296   1HB   ARG  35           HB2      ARG  35  83.879   9.843  -4.469
  297   2HB   ARG  35           HB1      ARG  35  83.207   9.972  -2.848
  298   1HG   ARG  35           HG2      ARG  35  81.380   8.390  -3.542
  299   2HG   ARG  35           HG1      ARG  35  82.208   8.175  -5.083
  300   1HD   ARG  35           HD2      ARG  35  82.772   6.386  -3.389
  301   2HD   ARG  35           HD1      ARG  35  84.195   7.298  -3.932
  302    HE   ARG  35           HE       ARG  35  84.041   8.631  -1.852
  303   1HH1  ARG  35          HH21      ARG  35  83.172   5.393  -1.828
  304   2HH1  ARG  35          HH22      ARG  35  82.431   5.418  -0.262
  305   1HH2  ARG  35          HH11      ARG  35  82.614   8.867   0.059
  306   2HH2  ARG  35          HH12      ARG  35  82.115   7.386   0.807
  307    H    ASN  36           HN       ASN  36  79.897   9.531  -4.330
  308    HA   ASN  36           HA       ASN  36  79.771   8.871  -7.194
  309   1HB   ASN  36           HB2      ASN  36  79.053   7.794  -4.648
  310   2HB   ASN  36           HB1      ASN  36  77.573   7.999  -5.557
  311   1HD2  ASN  36          HD22      ASN  36  78.272   5.436  -7.877
  312   2HD2  ASN  36          HD21      ASN  36  77.226   6.695  -7.428
  313    H    GLN  37           HN       GLN  37  76.790   8.726  -6.865
  314    HA   GLN  37           HA       GLN  37  75.986  11.517  -6.587
  315   1HB   GLN  37           HB2      GLN  37  75.675   9.947  -9.162
  316   2HB   GLN  37           HB1      GLN  37  75.187  11.623  -8.901
  317   1HG   GLN  37           HG2      GLN  37  77.601  12.141  -8.351
  318   2HG   GLN  37           HG1      GLN  37  78.004  10.511  -8.894
  319   1HE2  GLN  37          HE22      GLN  37  78.033  11.467 -12.274
  320   2HE2  GLN  37          HE21      GLN  37  78.538  10.375 -11.077
  321    H    GLY  38           HN       GLY  38  73.532  11.182  -7.905
  322   1HA   GLY  38           HA2      GLY  38  72.142   9.407  -5.988
  323   2HA   GLY  38           HA1      GLY  38  71.371  10.625  -7.011
  324    H    ASP  39           HN       ASP  39  73.744   8.587  -8.441
  325    HA   ASP  39           HA       ASP  39  71.615   6.847  -9.621
  326   1HB   ASP  39           HB2      ASP  39  73.495   8.814 -10.852
  327   2HB   ASP  39           HB1      ASP  39  73.115   7.354 -11.764
  328    H    LYS  40           HN       LYS  40  75.026   7.306 -10.421
  329    HA   LYS  40           HA       LYS  40  75.808   4.686 -10.750
  330   1HB   LYS  40           HB2      LYS  40  77.387   6.770  -9.287
  331   2HB   LYS  40           HB1      LYS  40  78.041   5.480 -10.271
  332   1HG   LYS  40           HG2      LYS  40  76.512   7.926 -11.160
  333   2HG   LYS  40           HG1      LYS  40  78.130   7.425 -11.630
  334   1HD   LYS  40           HD2      LYS  40  77.163   6.493 -13.441
  335   2HD   LYS  40           HD1      LYS  40  76.560   5.253 -12.339
  336   1HE   LYS  40           HE2      LYS  40  74.445   6.170 -12.244
  337   2HE   LYS  40           HE1      LYS  40  75.040   7.821 -12.502
  338   1HZ   LYS  40           HZ3      LYS  40  75.154   5.680 -14.560
  339   2HZ   LYS  40           HZ2      LYS  40  73.920   6.846 -14.484
  340   3HZ   LYS  40           HZ1      LYS  40  75.526   7.320 -14.770
  341    H    GLU  41           HN       GLU  41  75.183   6.350  -7.754
  342    HA   GLU  41           HA       GLU  41  75.939   3.886  -6.215
  343   1HB   GLU  41           HB2      GLU  41  77.143   5.724  -5.373
  344   2HB   GLU  41           HB1      GLU  41  75.806   6.843  -5.638
  345   1HG   GLU  41           HG2      GLU  41  75.462   4.576  -3.699
  346   2HG   GLU  41           HG1      GLU  41  76.356   6.013  -3.199
  347    H    ALA  42           HN       ALA  42  73.324   5.987  -7.131
  348    HA   ALA  42           HA       ALA  42  71.469   4.976  -5.084
  349   1HB   ALA  42           HB3      ALA  42  71.538   7.291  -6.243
  350   2HB   ALA  42           HB2      ALA  42  70.831   6.471  -7.636
  351   3HB   ALA  42           HB1      ALA  42  69.959   6.517  -6.104
  352    H    GLU  43           HN       GLU  43  72.637   4.062  -8.193
  353    HA   GLU  43           HA       GLU  43  70.454   2.729  -9.370
  354   1HB   GLU  43           HB2      GLU  43  72.749   3.168 -10.286
  355   2HB   GLU  43           HB1      GLU  43  73.364   1.879  -9.251
  356   1HG   GLU  43           HG2      GLU  43  72.674   0.294 -10.696
  357   2HG   GLU  43           HG1      GLU  43  71.051   0.980 -10.758
  358    H    ALA  44           HN       ALA  44  72.853   1.382  -7.062
  359    HA   ALA  44           HA       ALA  44  71.291  -1.119  -6.825
  360   1HB   ALA  44           HB1      ALA  44  73.851   0.038  -5.717
  361   2HB   ALA  44           HB3      ALA  44  73.172  -1.434  -5.020
  362   3HB   ALA  44           HB2      ALA  44  73.634  -1.394  -6.723
  363    H    LYS  45           HN       LYS  45  72.102   1.687  -4.724
  364    HA   LYS  45           HA       LYS  45  70.687   0.749  -2.438
  365   1HB   LYS  45           HB2      LYS  45  72.072   3.075  -3.293
  366   2HB   LYS  45           HB1      LYS  45  70.495   3.604  -2.685
  367   1HG   LYS  45           HG2      LYS  45  71.296   3.345  -0.599
  368   2HG   LYS  45           HG1      LYS  45  71.345   1.608  -0.904
  369   1HD   LYS  45           HD2      LYS  45  73.593   2.801  -2.200
  370   2HD   LYS  45           HD1      LYS  45  73.546   3.383  -0.536
  371   1HE   LYS  45           HE2      LYS  45  73.115   0.873   0.077
  372   2HE   LYS  45           HE1      LYS  45  73.787   0.549  -1.533
  373   1HZ   LYS  45           HZ3      LYS  45  75.179   2.526   0.090
  374   2HZ   LYS  45           HZ2      LYS  45  75.317   0.911   0.602
  375   3HZ   LYS  45           HZ1      LYS  45  75.807   1.354  -0.964
  376    H    PHE  46           HN       PHE  46  69.530   2.075  -5.474
  377    HA   PHE  46           HA       PHE  46  66.920   2.897  -4.557
  378   1HB   PHE  46           HB2      PHE  46  68.336   2.281  -7.079
  379   2HB   PHE  46           HB1      PHE  46  66.611   1.927  -7.142
  380    HD1  PHE  46           HD1      PHE  46  68.654   4.607  -5.476
  381    HD2  PHE  46           HD2      PHE  46  65.435   3.651  -8.155
  382    HE1  PHE  46           HE1      PHE  46  68.159   7.022  -5.744
  383    HE2  PHE  46           HE2      PHE  46  64.939   6.066  -8.421
  384    HZ   PHE  46           HZ       PHE  46  66.301   7.751  -7.216
  385    H    LYS  47           HN       LYS  47  68.388  -0.178  -5.378
  386    HA   LYS  47           HA       LYS  47  65.947  -1.680  -5.286
  387   1HB   LYS  47           HB2      LYS  47  67.385  -3.460  -5.859
  388   2HB   LYS  47           HB1      LYS  47  68.331  -2.090  -6.420
  389   1HG   LYS  47           HG2      LYS  47  69.996  -2.685  -5.062
  390   2HG   LYS  47           HG1      LYS  47  68.944  -2.538  -3.656
  391   1HD   LYS  47           HD2      LYS  47  68.841  -4.929  -5.479
  392   2HD   LYS  47           HD1      LYS  47  69.947  -4.852  -4.105
  393   1HE   LYS  47           HE2      LYS  47  68.064  -4.514  -2.569
  394   2HE   LYS  47           HE1      LYS  47  66.935  -4.508  -3.938
  395   1HZ   LYS  47           HZ2      LYS  47  68.826  -6.736  -3.441
  396   2HZ   LYS  47           HZ1      LYS  47  67.254  -6.722  -2.797
  397   3HZ   LYS  47           HZ3      LYS  47  67.479  -6.717  -4.477
  398    H    GLU  48           HN       GLU  48  67.984  -0.204  -3.023
  399    HA   GLU  48           HA       GLU  48  67.338  -2.089  -0.880
  400   1HB   GLU  48           HB2      GLU  48  68.982   0.441  -1.076
  401   2HB   GLU  48           HB1      GLU  48  68.741  -0.413   0.448
  402   1HG   GLU  48           HG2      GLU  48  69.687  -2.470  -0.586
  403   2HG   GLU  48           HG1      GLU  48  69.999  -1.558  -2.063
  404    H    ILE  49           HN       ILE  49  66.594   1.229  -1.889
  405    HA   ILE  49           HA       ILE  49  64.475   1.257   0.227
  406    HB   ILE  49           HB       ILE  49  65.818   3.488  -1.318
  407   1HG1  ILE  49          HG12      ILE  49  66.488   3.873   1.278
  408   2HG1  ILE  49          HG11      ILE  49  66.419   2.107   1.234
  409   1HG2  ILE  49          HG23      ILE  49  63.610   3.341   0.685
  410   2HG2  ILE  49          HG22      ILE  49  64.684   4.732   0.715
  411   3HG2  ILE  49          HG21      ILE  49  63.760   4.366  -0.741
  412   1HD1  ILE  49          HD13      ILE  49  67.692   3.064  -1.152
  413   2HD1  ILE  49          HD12      ILE  49  68.489   3.773   0.254
  414   3HD1  ILE  49          HD11      ILE  49  68.354   2.020   0.106
  415    H    LYS  50           HN       LYS  50  65.202   1.961  -3.197
  416    HA   LYS  50           HA       LYS  50  62.477   2.759  -3.706
  417   1HB   LYS  50           HB2      LYS  50  64.948   2.848  -5.004
  418   2HB   LYS  50           HB1      LYS  50  64.013   1.723  -5.988
  419   1HG   LYS  50           HG2      LYS  50  62.534   4.135  -5.144
  420   2HG   LYS  50           HG1      LYS  50  63.883   4.443  -6.239
  421   1HD   LYS  50           HD2      LYS  50  62.566   3.786  -7.944
  422   2HD   LYS  50           HD1      LYS  50  62.588   2.159  -7.262
  423   1HE   LYS  50           HE2      LYS  50  60.261   2.839  -7.492
  424   2HE   LYS  50           HE1      LYS  50  60.659   2.871  -5.762
  425   1HZ   LYS  50           HZ2      LYS  50  61.391   5.263  -6.228
  426   2HZ   LYS  50           HZ1      LYS  50  60.471   5.136  -7.652
  427   3HZ   LYS  50           HZ3      LYS  50  59.722   4.953  -6.140
  428    H    GLU  51           HN       GLU  51  64.203  -0.279  -3.504
  429    HA   GLU  51           HA       GLU  51  62.048  -1.746  -4.931
  430   1HB   GLU  51           HB2      GLU  51  64.022  -2.808  -5.387
  431   2HB   GLU  51           HB1      GLU  51  64.797  -2.055  -4.012
  432   1HG   GLU  51           HG2      GLU  51  64.737  -4.495  -3.729
  433   2HG   GLU  51           HG1      GLU  51  63.767  -3.695  -2.493
  434    H    ALA  52           HN       ALA  52  63.281  -1.123  -1.686
  435    HA   ALA  52           HA       ALA  52  61.326  -2.916  -0.389
  436   1HB   ALA  52           HB1      ALA  52  63.484  -0.991   0.529
  437   2HB   ALA  52           HB3      ALA  52  62.482  -1.909   1.654
  438   3HB   ALA  52           HB2      ALA  52  63.550  -2.754   0.533
  439    H    TYR  53           HN       TYR  53  62.047   0.577  -0.499
  440    HA   TYR  53           HA       TYR  53  59.636   1.318   0.949
  441   1HB   TYR  53           HB2      TYR  53  60.900   3.153   1.217
  442   2HB   TYR  53           HB1      TYR  53  62.138   2.375   0.264
  443    HD1  TYR  53           HD2      TYR  53  60.986   2.462  -2.471
  444    HD2  TYR  53           HD1      TYR  53  60.931   5.387   0.670
  445    HE1  TYR  53           HE2      TYR  53  60.839   4.265  -4.156
  446    HE2  TYR  53           HE1      TYR  53  60.792   7.193  -1.014
  447    HH   TYR  53           HH       TYR  53  61.590   6.995  -4.003
  448    H    GLU  54           HN       GLU  54  59.938   0.095  -2.064
  449    HA   GLU  54           HA       GLU  54  58.256   1.931  -3.591
  450   1HB   GLU  54           HB2      GLU  54  59.358   0.674  -5.133
  451   2HB   GLU  54           HB1      GLU  54  59.804  -0.518  -3.918
  452   1HG   GLU  54           HG2      GLU  54  57.759  -1.732  -4.224
  453   2HG   GLU  54           HG1      GLU  54  57.050  -0.427  -5.175
  454    H    VAL  55           HN       VAL  55  57.731  -0.415  -1.174
  455    HA   VAL  55           HA       VAL  55  54.858  -0.671  -1.945
  456    HB   VAL  55           HB       VAL  55  55.524  -2.870  -1.941
  457   1HG1  VAL  55          HG11      VAL  55  57.898  -2.324  -1.718
  458   2HG1  VAL  55          HG13      VAL  55  57.707  -2.188   0.030
  459   3HG1  VAL  55          HG12      VAL  55  57.481  -3.746  -0.763
  460   1HG2  VAL  55          HG22      VAL  55  54.390  -2.188   0.528
  461   2HG2  VAL  55          HG21      VAL  55  54.533  -3.794  -0.152
  462   3HG2  VAL  55          HG23      VAL  55  55.774  -3.198   0.941
  463    H    LEU  56           HN       LEU  56  57.130   0.183   0.512
  464    HA   LEU  56           HA       LEU  56  55.543   0.259   2.836
  465   1HB   LEU  56           HB2      LEU  56  57.924   1.500   1.650
  466   2HB   LEU  56           HB1      LEU  56  57.189   2.475   2.929
  467    HG   LEU  56           HG       LEU  56  58.877   0.903   3.843
  468   1HD1  LEU  56          HD12      LEU  56  56.036   0.971   4.568
  469   2HD1  LEU  56          HD11      LEU  56  56.872  -0.463   5.166
  470   3HD1  LEU  56          HD13      LEU  56  57.461   1.145   5.593
  471   1HD2  LEU  56          HD23      LEU  56  57.230  -1.009   2.258
  472   2HD2  LEU  56          HD22      LEU  56  58.962  -1.023   2.583
  473   3HD2  LEU  56          HD21      LEU  56  57.830  -1.582   3.813
  474    H    THR  57           HN       THR  57  55.280   2.126  -0.062
  475    HA   THR  57           HA       THR  57  53.593   4.185   1.303
  476    HB   THR  57           HB       THR  57  54.670   5.612  -0.090
  477    HG1  THR  57           HG1      THR  57  53.430   5.641  -1.766
  478   1HG2  THR  57          HG21      THR  57  56.534   3.928   0.011
  479   2HG2  THR  57          HG23      THR  57  55.920   3.229  -1.487
  480   3HG2  THR  57          HG22      THR  57  56.526   4.885  -1.471
  481    H    ASP  58           HN       ASP  58  53.503   1.456  -0.814
  482    HA   ASP  58           HA       ASP  58  50.769   2.151  -1.785
  483   1HB   ASP  58           HB2      ASP  58  52.788   1.364  -3.217
  484   2HB   ASP  58           HB1      ASP  58  52.460  -0.237  -2.544
  485    H    SER  59           HN       SER  59  49.238   0.205  -1.846
  486    HA   SER  59           HA       SER  59  49.424  -1.302   0.740
  487   1HB   SER  59           HB2      SER  59  47.575   0.432   0.239
  488   2HB   SER  59           HB1      SER  59  46.958  -0.740  -0.923
  489    HG   SER  59           HG       SER  59  47.569  -1.547   1.698
  490    H    GLN  60           HN       GLN  60  48.859  -1.493  -2.718
  491    HA   GLN  60           HA       GLN  60  48.056  -4.276  -2.827
  492   1HB   GLN  60           HB2      GLN  60  48.451  -3.906  -5.234
  493   2HB   GLN  60           HB1      GLN  60  47.611  -2.518  -4.535
  494   1HG   GLN  60           HG2      GLN  60  50.054  -1.623  -4.120
  495   2HG   GLN  60           HG1      GLN  60  50.473  -2.754  -5.406
  496   1HE2  GLN  60          HE22      GLN  60  48.158   0.522  -6.291
  497   2HE2  GLN  60          HE21      GLN  60  48.313   0.018  -4.677
  498    H    LYS  61           HN       LYS  61  51.129  -2.589  -2.695
  499    HA   LYS  61           HA       LYS  61  52.693  -4.918  -3.582
  500   1HB   LYS  61           HB2      LYS  61  53.691  -2.411  -2.217
  501   2HB   LYS  61           HB1      LYS  61  54.521  -3.404  -3.413
  502   1HG   LYS  61           HG2      LYS  61  52.837  -2.708  -5.114
  503   2HG   LYS  61           HG1      LYS  61  52.104  -1.642  -3.916
  504   1HD   LYS  61           HD2      LYS  61  53.853  -0.144  -3.964
  505   2HD   LYS  61           HD1      LYS  61  55.045  -1.388  -4.350
  506   1HE   LYS  61           HE2      LYS  61  54.843  -0.984  -6.570
  507   2HE   LYS  61           HE1      LYS  61  53.074  -1.118  -6.484
  508   1HZ   LYS  61           HZ1      LYS  61  53.342   1.145  -5.218
  509   2HZ   LYS  61           HZ3      LYS  61  54.776   1.246  -6.119
  510   3HZ   LYS  61           HZ2      LYS  61  53.282   1.107  -6.915
  511    H    ARG  62           HN       ARG  62  51.848  -3.206  -0.615
  512    HA   ARG  62           HA       ARG  62  53.523  -4.390   1.285
  513   1HB   ARG  62           HB2      ARG  62  50.580  -3.659   1.362
  514   2HB   ARG  62           HB1      ARG  62  51.555  -3.965   2.800
  515   1HG   ARG  62           HG2      ARG  62  52.327  -1.912   0.720
  516   2HG   ARG  62           HG1      ARG  62  51.326  -1.516   2.118
  517   1HD   ARG  62           HD2      ARG  62  54.053  -2.832   2.345
  518   2HD   ARG  62           HD1      ARG  62  53.785  -1.083   2.493
  519    HE   ARG  62           HE       ARG  62  53.038  -3.083   4.476
  520   1HH1  ARG  62          HH21      ARG  62  53.361   0.171   3.869
  521   2HH1  ARG  62          HH22      ARG  62  52.066   0.686   4.897
  522   1HH2  ARG  62          HH11      ARG  62  50.879  -2.522   5.458
  523   2HH2  ARG  62          HH12      ARG  62  50.658  -0.837   5.793
  524    H    ALA  63           HN       ALA  63  50.503  -5.676  -0.127
  525    HA   ALA  63           HA       ALA  63  50.273  -8.060   1.403
  526   1HB   ALA  63           HB1      ALA  63  48.820  -6.883  -0.480
  527   2HB   ALA  63           HB3      ALA  63  49.705  -7.972  -1.547
  528   3HB   ALA  63           HB2      ALA  63  48.711  -8.628  -0.246
  529    H    ALA  64           HN       ALA  64  52.282  -7.230  -1.374
  530    HA   ALA  64           HA       ALA  64  53.374  -9.963  -1.647
  531   1HB   ALA  64           HB2      ALA  64  53.182  -7.482  -3.138
  532   2HB   ALA  64           HB1      ALA  64  54.859  -8.028  -3.094
  533   3HB   ALA  64           HB3      ALA  64  53.603  -9.087  -3.736
  534    H    TYR  65           HN       TYR  65  54.216  -6.818  -0.393
  535    HA   TYR  65           HA       TYR  65  57.004  -7.326   0.169
  536   1HB   TYR  65           HB2      TYR  65  56.592  -5.089   0.148
  537   2HB   TYR  65           HB1      TYR  65  54.897  -5.317   0.504
  538    HD1  TYR  65           HD1      TYR  65  54.114  -5.440   2.844
  539    HD2  TYR  65           HD2      TYR  65  58.228  -4.695   1.884
  540    HE1  TYR  65           HE1      TYR  65  54.518  -4.685   5.171
  541    HE2  TYR  65           HE2      TYR  65  58.638  -3.940   4.211
  542    HH   TYR  65           HH       TYR  65  57.240  -4.571   6.613
  543    H    ASP  66           HN       ASP  66  54.060  -7.209   2.144
  544    HA   ASP  66           HA       ASP  66  55.067  -7.555   4.625
  545   1HB   ASP  66           HB2      ASP  66  52.923  -8.506   5.203
  546   2HB   ASP  66           HB1      ASP  66  52.656  -7.398   3.859
  547    H    GLN  67           HN       GLN  67  54.956 -10.033   2.107
  548    HA   GLN  67           HA       GLN  67  57.034 -11.620   3.188
  549   1HB   GLN  67           HB2      GLN  67  54.512 -11.796   4.578
  550   2HB   GLN  67           HB1      GLN  67  54.903 -13.363   3.867
  551   1HG   GLN  67           HG2      GLN  67  57.210 -12.036   5.112
  552   2HG   GLN  67           HG1      GLN  67  55.917 -12.416   6.251
  553   1HE2  GLN  67          HE22      GLN  67  57.046 -15.743   6.401
  554   2HE2  GLN  67          HE21      GLN  67  56.524 -14.360   7.236
  555    H    TYR  68           HN       TYR  68  56.330 -10.963   0.595
  556    HA   TYR  68           HA       TYR  68  55.761 -13.652  -0.556
  557   1HB   TYR  68           HB2      TYR  68  54.035 -11.304  -0.535
  558   2HB   TYR  68           HB1      TYR  68  54.395 -11.823  -2.185
  559    HD1  TYR  68           HD2      TYR  68  54.077 -14.304  -2.768
  560    HD2  TYR  68           HD1      TYR  68  52.489 -12.501   0.794
  561    HE1  TYR  68           HE2      TYR  68  52.481 -16.187  -2.525
  562    HE2  TYR  68           HE1      TYR  68  50.894 -14.383   1.037
  563    HH   TYR  68           HH       TYR  68  50.400 -16.706  -1.472
  564    H    GLY  69           HN       GLY  69  58.274 -12.959  -0.641
  565   1HA   GLY  69           HA2      GLY  69  59.015 -11.071  -2.710
  566   2HA   GLY  69           HA1      GLY  69  60.092 -12.251  -1.961
  567    H    HIS  70           HN       HIS  70  59.452 -14.624  -2.615
  568    HA   HIS  70           HA       HIS  70  58.737 -14.695  -5.527
  569   1HB   HIS  70           HB2      HIS  70  61.258 -15.079  -4.303
  570   2HB   HIS  70           HB1      HIS  70  60.692 -16.680  -4.781
  571    HD1  HIS  70           HD1      HIS  70  60.794 -17.252  -7.228
  572    HD2  HIS  70           HD2      HIS  70  61.306 -13.169  -6.556
  573    HE1  HIS  70           HE1      HIS  70  61.411 -16.231  -9.462
  574    H    ALA  71           HN       ALA  71  56.651 -15.585  -4.959
  575    HA   ALA  71           HA       ALA  71  55.153 -17.308  -4.290
  576   1HB   ALA  71           HB2      ALA  71  56.371 -18.240  -6.233
  577   2HB   ALA  71           HB1      ALA  71  57.630 -18.840  -5.154
  578   3HB   ALA  71           HB3      ALA  71  56.001 -19.509  -5.066
  579    H    ALA  72           HN       ALA  72  57.098 -16.220  -2.229
  580    HA   ALA  72           HA       ALA  72  58.335 -17.991  -0.538
  581   1HB   ALA  72           HB3      ALA  72  57.362 -15.417  -0.421
  582   2HB   ALA  72           HB2      ALA  72  56.423 -16.217   0.840
  583   3HB   ALA  72           HB1      ALA  72  58.186 -16.234   0.906
  584    H    PHE  73           HN       PHE  73  54.818 -17.286  -0.326
  585    HA   PHE  73           HA       PHE  73  54.465 -20.015   0.875
  586   1HB   PHE  73           HB2      PHE  73  53.735 -17.319   1.695
  587   2HB   PHE  73           HB1      PHE  73  52.314 -18.356   1.590
  588    HD1  PHE  73           HD1      PHE  73  52.499 -20.712   2.682
  589    HD2  PHE  73           HD2      PHE  73  55.137 -17.444   3.573
  590    HE1  PHE  73           HE1      PHE  73  53.142 -21.813   4.809
  591    HE2  PHE  73           HE2      PHE  73  55.780 -18.543   5.701
  592    HZ   PHE  73           HZ       PHE  73  54.783 -20.730   6.318
  593    H    GLU  74           HN       GLU  74  54.371 -19.977  -1.845
  594    HA   GLU  74           HA       GLU  74  51.872 -19.247  -3.047
  595   1HB   GLU  74           HB2      GLU  74  54.201 -19.896  -4.024
  596   2HB   GLU  74           HB1      GLU  74  53.618 -21.556  -3.902
  597   1HG   GLU  74           HG2      GLU  74  53.027 -20.865  -6.096
  598   2HG   GLU  74           HG1      GLU  74  51.533 -20.741  -5.167
  599    H    GLN  75           HN       GLN  75  53.048 -22.541  -2.226
  600    HA   GLN  75           HA       GLN  75  50.492 -23.301  -1.038
  601   1HB   GLN  75           HB2      GLN  75  49.978 -24.944  -2.876
  602   2HB   GLN  75           HB1      GLN  75  49.864 -23.261  -3.390
  603   1HG   GLN  75           HG2      GLN  75  52.531 -23.868  -3.830
  604   2HG   GLN  75           HG1      GLN  75  51.703 -25.358  -4.283
  605   1HE2  GLN  75          HE22      GLN  75  51.636 -23.335  -7.350
  606   2HE2  GLN  75          HE21      GLN  75  52.765 -24.222  -6.444
  607    H    GLY  76           HN       GLY  76  51.576 -24.329   0.652
  608   1HA   GLY  76           HA2      GLY  76  52.704 -26.091   1.721
  609   2HA   GLY  76           HA1      GLY  76  52.731 -26.927   0.168
  610    H    GLY  77           HN       GLY  77  54.401 -26.090  -1.425
  611   1HA   GLY  77           HA2      GLY  77  56.600 -24.475  -0.549
  612   2HA   GLY  77           HA1      GLY  77  56.997 -26.179  -0.321
   
  No H/Q in entry =         612