*HEADER    GROWTH FACTOR                           03-JAN-01   1HI7
*TITLE     NMR SOLUTION STRUCTURE OF THE DISULPHIDE-LINKED HOMODIMER
*TITLE    2 OF HUMAN TFF1, 10 STRUCTURES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PS2 PROTEIN;
*COMPND   3 CHAIN: A, B;
*COMPND   4 SYNONYM: PNR-2,PS2,TFF1,BREAST CANCER ESTROGEN INDUCIBLE
*COMPND   5 PROTEIN, TREFOIL FACTOR FAMILY 1 PROTEIN;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 OTHER_DETAILS: DISULPHIDE LINK BETWEEN C58 OF BOTH SUBUNITS
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 ORGAN: BREAST, STOMACH;
*SOURCE   5 TISSUE: EPITHELIAL;
*SOURCE   6 CELL: MCF-7, UACL;
*SOURCE   7 CELLULAR_LOCATION: EXTRACELLULAR;
*SOURCE   8 GENE: TFF1;
*SOURCE   9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE  10 EXPRESSION_SYSTEM_CELL_LINE: HB101;
*SOURCE  11 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
*SOURCE  12 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE  13 EXPRESSION_SYSTEM_VECTOR: PHARMACIA PEZZ18;
*SOURCE  14 EXPRESSION_SYSTEM_GENE: TFF1
*KEYWDS    GROWTH FACTOR, CELL MOTILITY, TUMOR SUPPRESSOR, TREFOIL
*KEYWDS   2 DOMAIN, SIGNAL
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    M.A.WILLIAMS,J.FEENEY
*REVDAT   1   03-JAN-01 1HI7    0




! NOEs from TFF1 dimer with X-plor stereo labelling 
!
! New or modified restraints in the dimer
!
! intra segment NOEs
!
assign (segid A and resid  3  and name hg* )  (segid A and resid 52  and name hn  )  4.50 4.50 1.00  !          
assign (segid A and resid  3  and name he2*)  ((segid A and resid 49  and name hg2*) or (segid A and resid  4  and name hg2*))  4.50 4.50 1.00  !          
assign (segid A and resid  5  and name hg* )  (segid A and resid 50  and name hn  )  4.50 4.50 1.00  !          
assign (segid A and resid  9  and name hn )   (segid A and resid 48  and name hd2*)  4.50 4.50 1.00  !    
assign (segid A and resid 13  and name hn)    (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid A and resid 14  and name hn)    (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid A and resid 16  and name hd2*)  (segid A and resid 42  and name hg* )  4.00 4.00 1.00  !   
assign (segid A and resid 16  and name ha )   (segid A and resid 45  and name hn )   4.50 4.50 1.00  !  
assign (segid A and resid 19  and name hn )   (segid A and resid 44  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 17  and name hn )   (segid A and resid 19  and name hn )   4.50 4.50 1.00  !       
assign (segid A and resid 23  and name hb )   (segid A and resid 25  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 34  and name ha )   (segid A and resid 36  and name hn)    4.50 4.50 1.00  !  
assign (segid A and resid 36  and name hn )   (segid A and resid 38  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 38  and name ha)    (segid A and resid 41  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 38  and name ha )   (segid A and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid A and resid 13  and name hn )   (segid A and resid 14  and name hg2 )  4.50 4.50 1.00  !      
assign (segid A and resid 51  and name hn )   (segid A and resid 53  and name hd* )  4.50 4.50 1.00  !  
assign (segid A and resid 55  and name hn )   (segid A and resid 54  and name ha )   3.50 3.50 0.50  !  
!
assign (segid A and (resid 19  or resid 34)  and name he*)    (segid A and resid 26  and name hn)    4.50 4.50 1.00  !    
assign (segid A and resid 28  and name hn )    ((segid A and resid 31 and name ha2) or (segid A and resid 25 and name hb*) )  4.50 4.50 1.00  !           
assign (segid A and resid 49  and name hn )    (segid A and resid 50 and (name hg2* or name hd1*))  4.50 4.50 1.00  !    
!
assign (segid B and resid  3  and name hg* )  (segid B and resid 52  and name hn  )  4.50 4.50 1.00  !          
assign (segid B and resid  3  and name he2*)  ((segid B and resid 49  and name hg2*) or (segid B and resid  4  and name hg2*))  4.50 4.50 1.00  !          
assign (segid B and resid  5  and name hg* )  (segid B and resid 50  and name hn  )  4.50 4.50 1.00  !          
assign (segid B and resid  9  and name hn )   (segid B and resid 48  and name hd2*)  4.50 4.50 1.00  !    
assign (segid B and resid 13  and name hn)    (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid B and resid 14  and name hn)    (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid B and resid 16  and name hd2*)  (segid B and resid 42  and name hg* )  4.00 4.00 1.00  !    
assign (segid B and resid 16  and name ha )   (segid B and resid 45  and name hn )   4.50 4.50 1.00  !  
assign (segid B and resid 19  and name hn )   (segid B and resid 44  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 17  and name hn )   (segid B and resid 19  and name hn )   4.50 4.50 1.00  !       
assign (segid B and resid 23  and name hb )   (segid B and resid 25  and name hn )   4.50 4.50 1.00  !       
assign (segid B and resid 34  and name ha )   (segid B and resid 36  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid 36  and name hn )   (segid B and resid 38  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 38  and name ha)    (segid B and resid 41  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 38  and name ha )   (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid B and resid 13  and name hn )   (segid B and resid 14  and name hg2 )  4.50 4.50 1.00  !      
assign (segid B and resid 51  and name hn )   (segid B and resid 53  and name hd* )  4.50 4.50 1.00  !  
assign (segid B and resid 55  and name hn )   (segid B and resid 54  and name ha )   3.50 3.50 0.50  !  
!
assign (segid B and (resid 19  or resid 34)  and name he*)    (segid B and resid 26  and name hn)    4.50 4.50 1.00  !    
assign (segid B and resid 28  and name hn )    ((segid B and resid 31 and name ha2) or (segid A and resid 25 and name hb*) )  4.50 4.50 1.00  !           
assign (segid B and resid 49  and name hn )    (segid B and resid 50 and (name hg2* or name hd1*))  4.50 4.50 1.00  !    
!
!
! Ambigous as to intra or intersegment
!
assign ((segid A or segid B) and resid 58  and name hn )   ((segid A or segid B) and resid 60  and (name hd* or name he*))   4.50 4.50 1.00  !    
assign ((segid A or segid B) and resid 59  and name hn )   ((segid A or segid B) and resid 60  and name hd*)   4.50 4.50 1.00  !    
assign ((segid A or segid B) and resid 55  and name hn )   ((segid A or segid B) and resid 58  and name ha )   4.50 4.50 1.00  !      
assign ((segid A or segid B) and resid 58  and name hn )   ((segid A or segid B) and resid 60  and name hn )   4.50 4.50 1.00  !      
assign ((segid A or segid B) and resid 56  and name ha )   ((segid A or segid B) and resid 57  and name hn )   3.50 3.50 0.50  !       
assign ((segid A or segid B) and resid 57  and name ha )   ((segid A or segid B) and resid 58  and name hn )   4.50 4.50 1.00  !      
assign ((segid A or segid B) and resid 57  and name hn )   ((segid A or segid B) and resid 58  and name hn )   4.00 4.00 1.00  !      
assign ((segid A or segid B) and resid 57  and name ha )   ((segid A or segid B) and resid 58  and name hn )   2.70 2.70 0.50  !      
assign ((segid A or segid B) and resid 58  and name hn )   ((segid A or segid B) and resid 59  and name hn )   4.00 4.00 1.00  !      
assign ((segid A or segid B) and resid 58  and name ha )   ((segid A or segid B) and resid 59  and name hn )   2.70 2.70 0.50  !      
assign ((segid A or segid B) and resid 58  and name ha )   ((segid A or segid B) and resid 60  and name hn )   4.50 4.50 1.00  !      
assign ((segid A or segid B) and resid 59  and name hn )   ((segid A or segid B) and resid 58  and name hb1 )  3.50 3.50 0.50  !      
assign ((segid A or segid B) and resid 59  and name hn )   ((segid A or segid B) and resid 58  and name hb2 )  3.50 3.50 0.50  !      
assign ((segid A or segid B) and resid 59  and name hn )   ((segid A or segid B) and resid 60  and name hn )   3.50 3.50 0.50  !    
assign ((segid A or segid B) and resid 59  and name ha )   ((segid A or segid B) and resid 60  and name hn )   2.70 2.70 0.50  !      
assign ((segid A or segid B) and resid 59  and name hb1)   ((segid A or segid B) and resid 60  and name hn )   4.00 4.00 1.00  !  
assign ((segid A or segid B) and resid 59  and name hb2)   ((segid A or segid B) and resid 60  and name hn )   4.00 4.00 1.00  !  
assign ((segid A or segid B) and resid 59  and name hg1)   ((segid A or segid B) and resid 60  and name hn )   4.00 4.00 1.00  !  
assign ((segid A or segid B) and resid 59  and name hg2)   ((segid A or segid B) and resid 60  and name hn )   4.00 4.00 1.00  !  
assign ((segid A or segid B) and resid 60  and name hn )   ((segid A or segid B) and resid 60  and name hb* )  3.50 3.50 0.50  !     
assign ((segid A or segid B) and resid 60  and name hn )   ((segid A or segid B) and resid 60  and name hd* )  3.50 3.50 0.50  !     
!
assign (((segid A or segid B) and (resid 56 or resid 57))  and name hn )   ((segid A or segid B) and resid 58  and name ha )    4.50 4.50 1.00  !      
assign (((segid A or segid B) and (resid 56 or resid 57))  and name hn )   ((segid A or segid B) and resid 58  and name hb1)    4.50 4.50 1.00  !      
assign (((segid A or segid B) and (resid 56 or resid 57))  and name hn )   ((segid A or segid B) and resid 58  and name hb2)    4.50 4.50 1.00  !      
assign (((segid A or segid B) and (resid 56 or resid 57))  and name hn )   ((segid A or segid B) and resid 54  and name hd* )   4.50 4.50 1.00  !      
assign ((segid A or segid B) and resid 58  and name hn )    (((segid A or segid B) and (resid 56 or resid 57)) and name hg*)    4.00 4.00 1.00  !      
assign ((segid A or segid B) and resid 58  and name hn )    (((segid A or segid B) and (resid 56 or resid 57)) and name hb*)    4.00 4.00 1.00  !    
!

assign ((segid A or segid B)  and resid 54  and name hd* )  ((segid A or segid B) and resid 55  and name hn )   4.50 4.50 1.00  !      
assign ((segid A or segid B) and (resid 56 or resid 57) and name hb* )  ((segid A or segid B) and resid 57  and name hn )   4.00 4.00 1.00  !      
assign ((segid A or segid B) and resid 59  and name hn )   ((segid A or segid B) and resid 59  and name hb* )  3.50 3.50 0.50  !   
assign ((segid A or segid B) and resid 55  and name hn )   ((segid A or segid B) and resid 55  and name ha )   2.70 2.70 0.50  !   
assign ((segid A or segid B) and resid 56  and name hn )   ((segid A or segid B) and resid 56  and name ha )   2.70 2.70 0.50  !   
assign ((segid A or segid B) and resid 57  and name hn )   ((segid A or segid B) and resid 57  and name ha )   2.70 2.70 0.50  !   

!
! NOEs also present in the monomer
!
!
! NOE's from aromatic protons
!
!Long-range NOEs
!
assign (segid A and resid  9  and name hn )   (segid A and resid 14  and name hh*)   4.50 4.50 1.00  !  hh2* and hh1* seperate signals
assign (segid A and resid  9  and name hb )   (segid A and resid 45  and name hd*)   4.00 4.00 1.00  !  
assign (segid A and resid  9  and name hg2*)  (segid A and resid 45  and name hd*)   4.00 4.00 1.00  !  
assign (segid A and resid  9  and name hg2*)  (segid A and resid 45  and name he*)   3.50 3.50 0.50  !  
assign (segid A and resid 14  and name hh*)   (segid A and resid 38  and name hg1*)  4.50 4.50 1.00  !  hh2*  
assign (segid A and resid 14  and name hh*)   (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !  hh2*  
assign (segid A and resid 15  and name ha)    (segid A and resid 46  and name hd*)   4.00 4.00 1.00  !            
assign (segid A and resid 15  and name hb*)   (segid A and resid 46  and name hd*)   2.70 2.70 0.50  !            
assign (segid A and resid 15  and name hg*)   (segid A and resid 46  and name hd*)   3.50 3.50 0.50  !            
assign (segid A and resid 17  and name ha )   (segid A and resid 46  and name hd*)   3.50 3.50 0.50  !  
assign (segid A and resid 17  and name hn )   (segid A and resid 46  and name he*)   4.50 4.50 1.00  !  
assign (segid A and resid 17  and name ha )   (segid A and resid 46  and name he*)   3.50 3.50 0.50  !
assign (segid A and resid 17  and name hb1 )  (segid A and resid 46  and name hd*)   4.00 4.00 1.00  !   
assign (segid A and resid 17  and name hb2 )  (segid A and resid 46  and name hd*)   3.50 3.50 0.50  !  
assign (segid A and resid 17  and name hb1 )  (segid A and resid 46  and name he*)   4.00 4.00 1.00  !  
assign (segid A and resid 22  and name hg2*)  (segid A and resid 34  and name hd*)   4.00 4.00 1.00  !  
assign (segid A and resid 22  and name hg2*)  (segid A and resid 34  and name he*)   2.70 2.70 0.50  !   
assign (segid A and resid 27  and name hn)    (segid A and resid 34  and name hd*)   4.00 4.00 1.00  !            
assign (segid A and resid 27  and name hb2)   (segid A and resid 34  and name hd*)   2.70 2.70 0.50  !            
assign (segid A and resid 33  and name hn )   (segid A and resid 45  and name hd*)   4.50 4.50 1.00  !     
assign (segid A and resid 28  and name hn )   (segid A and resid 34  and name hd*)   4.50 4.50 1.00  !   
assign (segid A and resid 34  and name hd*)   (segid A and resid 43  and name he3)   4.50 4.50 1.00  !  
assign (segid A and resid 34  and name he*)   (segid A and resid 43  and name he3)   3.50 3.50 0.50  !  
assign (segid A and resid 34  and name hd*)   (segid A and resid 44  and name ha)    4.00 4.00 1.00  !  
!
!Medium-range NOEs
!
assign (segid A and resid 19  and name hd*)   (segid A and resid 21  and name ha2)   4.00 4.00 1.00  !   
assign (segid A and resid 19  and name hd*)   (segid A and resid 22  and name hn)    4.00 4.00 1.00  !   
assign (segid A and resid 19  and name he*)   (segid A and resid 22  and name hn)    4.00 4.00 1.00  !   
assign (segid A and resid 19  and name he*)   (segid A and resid 22  and name ha)    2.70 2.70 0.50  !   
assign (segid A and resid 19  and name he*)   (segid A and resid 23  and name hn)    4.50 4.50 1.00  !  
assign (segid A and resid 34  and name hd*)   (segid A and resid 36  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 34  and name he*)   (segid A and resid 36  and name hb1)   3.50 3.50 0.50  !   
!
!Sequential NOEs
!
assign (segid A and resid 19  and name hd*)   (segid A and resid 18  and name ha2)   3.50 3.50 0.50  !  
assign (segid A and resid 19  and name hd*)   (segid A and resid 20  and name hd1)   4.00 4.00 1.00  !  
assign (segid A and resid 19  and name hd*)   (segid A and resid 20  and name hd2)   4.00 4.00 1.00  !  
assign (segid A and resid 34  and name hd* )  (segid A and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 34  and name hd* )  (segid A and resid 35  and name ha )   4.00 4.00 1.00  !  
assign (segid A and resid 34  and name he* )  (segid A and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 45  and name ha )   (segid A and resid 46  and name hd*)   4.00 4.00 1.00  !  
assign (segid A and resid 46  and name hd* )  (segid A and resid 47  and name hd1 )  3.50 3.50 0.50  !   
assign (segid A and resid 46  and name hd* )  (segid A and resid 47  and name hd2 )  3.50 3.50 0.50  !   
!
!Intrasegid A and residue NOEs
!
assign (segid A and resid 19  and name hn )   (segid A and resid 19  and name he* )  4.50 4.50 1.00  !   
assign (segid A and resid 19  and name hn )   (segid A and resid 19  and name hd* )  4.00 4.00 1.00  !   
assign (segid A and resid 19  and name ha )   (segid A and resid 19  and name hd*)   3.50 3.50 0.50  !  
assign (segid A and resid 19  and name hb1 )  (segid A and resid 19  and name hd*)   2.70 2.70 0.50  !  
assign (segid A and resid 19  and name hb2 )  (segid A and resid 19  and name hd*)   2.70 2.70 0.50  !  
assign (segid A and resid 34  and name hn )   (segid A and resid 34  and name hd* )  4.00 4.00 1.00  !   
assign (segid A and resid 34  and name ha )   (segid A and resid 34  and name hd* )  3.50 3.50 0.50  !   
assign (segid A and resid 34  and name hb1 )  (segid A and resid 34  and name hd* )  3.50 3.50 0.50  !   
assign (segid A and resid 34  and name hb2 )  (segid A and resid 34  and name hd* )  2.30 2.30 0.50  !   
assign (segid A and resid 45  and name hn )   (segid A and resid 45  and name he* )  4.50 4.50 1.00  !      
assign (segid A and resid 45  and name hn )   (segid A and resid 45  and name hd* )  4.50 4.50 1.00  !     
assign (segid A and resid 46  and name hn )   (segid A and resid 46  and name hd* )  4.00 4.00 1.00  !   
assign (segid A and resid 46  and name hn )   (segid A and resid 46  and name he* )  4.50 4.50 1.00  !   
assign (segid A and resid 46  and name ha)    (segid A and resid 46  and name hd*)   4.00 4.00 1.00  !  
assign (segid A and resid 46  and name hb1)   (segid A and resid 46  and name hd*)   2.70 2.70 0.50  !  
assign (segid A and resid 46  and name hb2)   (segid A and resid 46  and name hd*)   2.70 2.70 0.50  !  
!
! Aromatic NOEs unambigously absent from spectra
!
assign (segid A and resid 17  and name hn )   (segid A and resid 46  and name hd* )  4.00 0.00 30.00 !  
assign (segid A and resid 30  and name hn )   (segid A and resid 46  and name he* )  4.00 0.00 30.00 !  
assign (segid A and resid 31  and name hn )   (segid A and resid 46  and name he* )  4.00 0.00 30.00 !    
assign (segid A and resid 44  and name hn)    (segid A and resid 45  and name hd* )  4.00 0.00 30.00 !   
!
!
! Methyl groups
!
! Long range
!
assign (segid A and resid 5   and name ha )   (segid A and resid 49  and name hg2*)  3.50 3.50 0.50  !  
assign (segid A and resid 6   and name hg2*)  (segid A and resid 48  and name hn  )  4.50 4.50 1.00  !   
assign (segid A and resid 6   and name hn )   (segid A and resid 50  and name hd1* ) 4.50 4.50 1.00  ! 
assign (segid A and resid 9   and name hg1*)  (segid A and resid 14  and name hn )   4.00 4.00 1.00  ! 
assign (segid A and resid 9   and name hg1* ) (segid A and resid 14  and name ha )   3.50 3.50 0.50  !    
assign (segid A and resid 9   and name hg1* ) (segid A and resid 14  and name hg1)   4.00 4.00 1.00  !    
assign (segid A and resid 9   and name hg1*)  (segid A and resid 14  and name hg2)   4.00 4.00 1.00  !  
assign (segid A and resid 9   and name hg1* ) (segid A and resid 14  and name he )   4.50 4.50 1.00  !    
assign (segid A and resid 9   and name hg2* ) (segid A and resid 14  and name he )   4.00 4.00 1.00  !     
assign (segid A and resid 9   and name hg1* ) (segid A and resid 15  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 9   and name hg2*)  (segid A and resid 45  and name hz)    4.00 4.00 1.00  !  
assign (segid A and resid 9   and name hg2*)  (segid A and resid 47  and name ha)    4.00 4.00 1.00  !  
assign (segid A and resid 9   and name hg2*)  (segid A and resid 48  and name hn)    4.00 4.00 1.00  !  
assign (segid A and resid 9   and name hg2*)  (segid A and resid 48  and name ha)    4.50 4.50 1.00  !  
assign (segid A and resid 9   and name hg1* ) (segid A and resid 48  and name hd2* ) 4.50 4.50 1.00  !     
assign (segid A and resid 9   and name hg2* ) (segid A and resid 48  and name hd2* ) 4.50 4.50 1.00  !    
assign (segid A and resid 11  and name hb1)   (segid A and resid 38  and name hg1*)  4.00 4.00 1.00  !  
assign (segid A and resid 11  and name hb2)   (segid A and resid 41  and name hg1*)  4.00 4.00 1.00  !  
assign (segid A and resid 11  and name hb1)   (segid A and resid 38  and name hg2*)  4.50 4.50 1.00  !  
assign (segid A and resid 11  and name hb2)   (segid A and resid 41  and name hg2*)  4.50 4.50 1.00  ! 
assign (segid A and resid 12  and name hn)    (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid A and resid 12  and name ha)    (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid A and resid 14  and name hb2)   (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  ! 
assign (segid A and resid 22  and name hg2*)  (segid A and resid 34  and name ha)    4.50 4.50 1.00  ! 
assign (segid A and resid 22  and name hg2*)  (segid A and resid 34  and name hz )   4.00 4.00 1.00  !  
assign (segid A and resid 22  and name hg2*)  (segid A and resid 43  and name he3)   4.00 4.00 1.00  ! 
assign (segid A and resid 22  and name hg2*)  (segid A and resid 44  and name hn)    4.00 4.00 1.00  !
assign (segid A and resid 22  and name hg2*)  (segid A and resid 44  and name ha)    4.00 4.00 1.00  ! 
assign (segid A and resid 22  and name hg2*)  (segid A and resid 44  and name hb1)   3.50 3.50 0.50  !    
assign (segid A and resid 22  and name hg2*)  (segid A and resid 27  and name hb1)   4.00 4.00 1.00  !
!
! Medium range
!    
assign (segid A and resid 7   and name ha)    (segid A and resid 9   and name hg2*)  3.50 3.50 0.50  !
assign (segid A and resid 9   and name hg1* ) (segid A and resid 13  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 9   and name hg1* ) (segid A and resid 13  and name hb2 )  4.00 4.00 1.00  !   
assign (segid A and resid 10  and name hb* )  (segid A and resid 12  and name hn )   3.50 3.50 0.50  !    
assign (segid A and resid 10  and name hb*)   (segid A and resid 13  and name hn)    3.50 3.50 0.50  !   
assign (segid A and resid 10  and name hb*)   (segid A and resid 14  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 10  and name hb*)   (segid A and resid 13  and name hb1)   4.00 4.00 1.00  !    
assign (segid A and resid 18  and name ha1)   (segid A and resid 22  and name hg2*)  3.50 3.50 0.50  !     
assign (segid A and resid 18  and name hn)    (segid A and resid 22  and name hg2*)  4.00 4.00 1.00  !    
assign (segid A and resid 18  and name hn )   (segid A and resid 22 and name hg1*)   4.50 4.50 1.00  !   
assign (segid A and resid 19  and name hn )   (segid A and resid 22  and name hg2* ) 4.00 4.00 1.00  !     
assign (segid A and resid 23  and name hg2* ) (segid A and resid 25  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 23  and name hg2* ) (segid A and resid 26  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 23  and name hg2* ) (segid A and resid 26  and name he2* ) 4.50 4.50 1.00  !    
assign (segid A and resid 26  and name hn )   (segid A and resid 28  and name hb* )  4.50 4.50 1.00  !    
assign (segid A and resid 28 and name hb*)    (segid A and resid 32 and name hn)     4.50 4.50 1.00  !
assign (segid A and resid 38  and name hn )   (segid A and resid 41  and name hg2* ) 4.50 4.50 1.00  !    
assign (segid A and resid 38  and name hb )   (segid A and resid 41  and name hg2*)  3.50 3.50 0.50  !   
assign (segid A and resid 38 and name  hg1*)  (segid A and resid 41  and name hg2*)  4.00 4.00 1.00  !
assign (segid A and resid 38  and name hg1*)  (segid A and resid 41  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 39  and name hn )   (segid A and resid 41  and name hg2* ) 4.50 4.50 1.00  !     
assign (segid A and resid 41  and name hg2* ) (segid A and resid 43  and name ha )   4.50 4.50 1.00  !   
assign (segid A and resid 41  and name hg2* ) (segid A and resid 43  and name he1 )  4.50 4.50 1.00  !     
!assign (segid A and resid 41  and name hg2* ) (segid A and resid 43  and name hd1 ) 3.50 3.50 0.50  !   
!
! Sequential
!
assign (segid A and resid  2  and name hb* )  (segid A and resid  3  and name hn )   4.00 4.00 1.00  !
assign (segid A and resid  3  and name hg* )  (segid A and resid  4  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid  3  and name hn )   (segid A and resid  4  and name hg2*)  4.00 4.00 1.00  !   
assign (segid A and resid  4  and name hg2* ) (segid A and resid  5  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid  6  and name hg2*)  (segid A and resid  7  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid  6  and name hg2*)  (segid A and resid  7  and name ha )   4.50 4.50 1.00  !
assign (segid A and resid  8  and name hn )   (segid A and resid  9  and name hg2*)  4.50 4.50 1.00  !      
assign (segid A and resid  8  and name hg2* ) (segid A and resid  9  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid  9  and name hg1*)  (segid A and resid 10  and name hn )   3.50 3.50 0.50  !  
assign (segid A and resid  9  and name hg2*)  (segid A and resid 10  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 10  and name hb*)   (segid A and resid 11  and name ha)    4.00 4.00 1.00  ! 
assign (segid A and resid 21  and name hn )   (segid A and resid 22  and name hg2* ) 4.00 4.00 1.00  !      
assign (segid A and resid 22  and name hg2*)  (segid A and resid 23  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid 22  and name hg2*)  (segid A and resid 23  and name ha)    4.00 4.00 1.00  ! 
assign (segid A and resid 37  and name hg2* ) (segid A and resid 38  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 37  and name hn )   (segid A and resid 38  and name hg2* ) 4.50 4.50 1.00  !     
assign (segid A and resid 38  and name hg1* ) (segid A and resid 39  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 38  and name hg2* ) (segid A and resid 39  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 41  and name hg1*)  (segid A and resid 42  and name hd1)   4.00 4.00 1.00  !
assign (segid A and resid 41  and name hg2*)  (segid A and resid 42  and name hd1)   4.00 4.00 1.00  !
assign (segid A and resid 49  and name ha)    (segid A and resid 50 and name hg1*)   4.00 4.00 1.00  !   
assign (segid A and resid 49  and name hg2* ) (segid A and resid 50  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 50  and name hg2*)  (segid A and resid 51  and name hn )   4.00 4.00 1.00  !      
!
!
! Other protons
!
! Long range
!
assign (segid A and resid 3   and name hg*)   (segid A and resid 51  and name ha )   4.00 4.00 1.00  !   
assign (segid A and resid 6   and name hn )   (segid A and resid 48  and name hb*)   4.00 4.00 1.00  ! 
assign (segid A and resid 6   and name ha )   (segid A and resid 48  and name hd2* ) 4.50 4.50 1.00  ! 
assign (segid A and resid 8   and name ha )   (segid A and resid 48  and name hd2* ) 4.50 4.50 1.00  !
assign (segid A and resid 8   and name hn )   (segid A and resid 48  and name hd2*)  4.50 4.50 1.00  !   
assign (segid A and resid 9   and name hg2* ) (segid A and resid 48  and name hb* )  4.50 4.50 1.00  !     
assign (segid A and resid 9   and name ha )   (segid A and resid 48  and name hd2* ) 4.50 4.50 1.00  !      
assign (segid A and resid 10  and name hn )   (segid A and resid 48  and name hd2*)  4.50 4.50 1.00  !   
assign (segid A and resid 14  and name hb1)   (segid A and resid 42  and name hg* )  3.50 3.50 0.50  !     
assign (segid A and resid 14  and name hb2)   (segid A and resid 42  and name hg* )  3.50 3.50 0.50  !     
assign (segid A and resid 14  and name hd1)   (segid A and resid 42  and name hg* )  4.00 4.00 1.00  !     
assign (segid A and resid 14  and name hd2)   (segid A and resid 42  and name hg* )  4.00 4.00 1.00  ! 
assign (segid A and resid 14  and name hh1*)  (segid A and resid 35  and name hb2)   4.50 4.50 1.00  ! 
assign (segid A and resid 15  and name hb* )  (segid A and resid 46  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 16  and name hn )   (segid A and resid 42  and name hg* )  4.50 4.50 1.00  !    
assign (segid A and resid 16  and name hd2*)  (segid A and resid 43  and name hn )   4.50 4.50 1.00  ! 
assign (segid A and resid 18  and name ha*)   (segid A and resid 44 and name hb1)    3.50 3.50 0.50  !  
assign (segid A and resid 24  and name hg*)   (segid A and resid 34  and name hz)    4.50 4.50 1.00  !     
assign (segid A and resid 32  and name ha )   (segid A and resid 47  and name hd*)   4.00 4.00 1.00  !    
assign (segid A and resid 33  and name hn )   (segid A and resid 47  and name hd* )  4.00 4.00 1.00  !  
!
! Medium range
!
assign (segid A and resid 10  and name hb*)   (segid A and resid 12  and name hg* )  4.50 4.50 1.00  !     
assign (segid A and resid 13  and name ha)    (segid A and resid 15  and name he2* ) 4.50 4.50 1.00  !     
assign (segid A and resid 16  and name hd2* ) (segid A and resid 18  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 16  and name hd2* ) (segid A and resid 19  and name ha )   4.00 4.00 1.00  !    
assign (segid A and resid 22  and name hn )   (segid A and resid 26  and name hb*)   4.50 4.50 1.00  !    
assign (segid A and resid 23  and name hn )   (segid A and resid 26  and name hg*)   3.50 3.50 0.50  !      
assign (segid A and resid 23  and name hg1)   (segid A and resid 26  and name hg*)   3.50 3.50 0.50  !    
assign (segid A and resid 25  and name ha )   (segid A and resid 28  and name hb*)   3.50 3.50 0.50  !     
assign (segid A and resid 25  and name hb*)   (segid A and resid 29  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 26  and name ha )   (segid A and resid 29  and name hd22 ) 4.50 4.50 1.00  !      
assign (segid A and resid 26  and name ha )   (segid A and resid 29  and name hb*)   4.00 4.00 1.00  !     
assign (segid A and resid 28  and name hn )   (segid A and resid 30  and name hb*)   4.50 4.50 1.00  ! 
assign (segid A and resid 29  and name hb* )  (segid A and resid 31  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 30  and name hg* )  (segid A and resid 32  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 39  and name hb* )  (segid A and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid A and resid 39  and name hg* )  (segid A and resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (segid A and resid 39  and name hd* )  (segid A and resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (segid A and resid 42  and name hg*)   (segid A and resid 45  and name hb1 )  4.00 4.00 1.00  !     
assign (segid A and resid 48  and name hb* )  (segid A and resid 50  and name hn )   4.50 4.50 1.00  ! 
!
! Sequential
!
assign (segid A and resid  1  and name hb*)   (segid A and resid  2  and name hn)    4.50 4.50 1.00  !  
assign (segid A and resid  5  and name hg* )  (segid A and resid  6  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 10  and name hn)    (segid A and resid 11  and name hd*)   4.50 4.50 1.00  ! 
assign (segid A and resid 10  and name hb*)   (segid A and resid 11  and name hd*)   4.00 4.00 1.00  ! 
assign (segid A and resid 10  and name ha)    (segid A and resid 11  and name hd*)   2.30 2.30 0.50  !   
assign (segid A and resid 11  and name hb* )  (segid A and resid 12  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 11  and name hg* )  (segid A and resid 12  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid 11  and name hd* )  (segid A and resid 12  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 15  and name hb* )  (segid A and resid 16  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 15  and name hg* )  (segid A and resid 16  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 17  and name hn )   (segid A and resid 18  and name ha* )  4.50 4.50 1.00  !     
assign (segid A and resid 20  and name hd* )   (segid A and resid 21 and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 23  and name ha)    (segid A and resid 24  and name hb*)   4.50 4.50 1.00  !    
assign (segid A and resid 23  and name ha)    (segid A and resid 24  and name hd*)   3.50 3.50 0.50  ! 
assign (segid A and resid 23  and name hg2*)  (segid A and resid 24  and name hg*)   4.50 4.50 1.00  ! 
assign (segid A and resid 23  and name hb)    (segid A and resid 24  and name hd*)   3.50 3.50 0.50  !  
assign (segid A and resid 24  and name hb* )  (segid A and resid 25  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 25  and name hn )   (segid A and resid 26  and name hg* )  4.00 4.00 1.00  !   
assign (segid A and resid 25  and name hb* )  (segid A and resid 26  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 26  and name hg* )  (segid A and resid 27  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 27  and name hn )   (segid A and resid 28  and name hb* )  4.50 4.50 1.00  !    
assign (segid A and resid 28  and name hb* )  (segid A and resid 29  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 30  and name hg* )  (segid A and resid 31  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 39  and name ha )   (segid A and resid 40  and name ha* )  4.50 4.50 1.00  !    
assign (segid A and resid 39  and name hb* )  (segid A and resid 40  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 39  and name hg* )  (segid A and resid 40  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 40  and name ha* )  (segid A and resid 41  and name hn )   3.50 3.50 0.50  !   
assign (segid A and resid 40  and name ha* )  (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !     
assign (segid A and resid 40  and name ha* )  (segid A and resid 41  and name hg2*)  4.50 4.50 1.00  !      
assign (segid A and resid 47  and name hb2 )  (segid A and resid 48  and name hd* )  4.50 4.50 1.00  ! 
assign (segid A and resid 46  and name hn )   (segid A and resid 47  and name hd* )  4.50 4.50 1.00  !      
assign (segid A and resid 48  and name hb* )  (segid A and resid 49  and name hn )   3.50 3.50 0.50  !      
assign (segid A and resid 52  and name hn )   (segid A and resid 53  and name hd*)   4.50 4.50 1.00  !    
assign (segid A and resid 52  and name ha )   (segid A and resid 53  and name hd*)   2.70 2.70 0.50  !     
assign (segid A and resid 52  and name hg1* ) (segid A and resid 53  and name hd*)   4.50 4.50 1.00  !    
assign (segid A and resid 52  and name hg2* ) (segid A and resid 53  and name hd*)   4.50 4.50 1.00  !   
assign (segid A and resid 53  and name ha )   (segid A and resid 54  and name hd*)   3.50 3.50 0.50  !    
!
! Intra-segid A and residue
!
assign (segid A and resid 3   and name hn )   (segid A and resid 3   and name hg* )  4.00 4.00 1.00  !      
assign (segid A and resid 3   and name ha )   (segid A and resid 3   and name hg* )  3.50 3.50 0.50  !     
assign (segid A and resid 4   and name hn )   (segid A and resid 4   and name hg2* ) 4.00 4.00 1.00  !     
assign (segid A and resid 6   and name hn )   (segid A and resid 6   and name hg2* ) 3.50 3.50 0.50  !      
assign (segid A and resid 8   and name hn )   (segid A and resid 8   and name hg2* ) 3.50 3.50 0.50  !   
assign (segid A and resid 9   and name hn )   (segid A and resid 9   and name hg1* ) 4.50 4.50 1.00  !     
assign (segid A and resid 9   and name hn )   (segid A and resid 9   and name hg2* ) 2.70 2.70 0.50  !    
assign (segid A and resid 10  and name hn )   (segid A and resid 10  and name hb* )  3.50 3.50 0.50  !    
assign (segid A and resid 12  and name hn )   (segid A and resid 12  and name hg* )  2.70 2.70 0.50  !    
assign (segid A and resid 12  and name hn )   (segid A and resid 12  and name hd* )  4.50 4.50 1.00  !     
assign (segid A and resid 15  and name hn )   (segid A and resid 15  and name hb* )  4.00 4.00 1.00  !     
assign (segid A and resid 15  and name hn )   (segid A and resid 15  and name hg* )  4.00 4.00 1.00  !     
assign (segid A and resid 15  and name he22 ) (segid A and resid 15  and name hb* )  4.50 4.50 1.00  !     
assign (segid A and resid 16  and name hn )   (segid A and resid 16  and name hd2* ) 4.50 4.50 1.00  !     
assign (segid A and resid 22  and name hn )   (segid A and resid 22  and name hg2* ) 3.50 3.50 0.50  !     
assign (segid A and resid 23  and name hn )   (segid A and resid 23  and name hg2* ) 3.50 3.50 0.50  !      
assign (segid A and resid 25  and name hn )   (segid A and resid 25  and name hb* )  2.70 2.70 0.50  !     
assign (segid A and resid 26  and name hn )   (segid A and resid 26  and name hg* )  2.70 2.70 0.50  !      
assign (segid A and resid 28  and name hn )   (segid A and resid 28  and name hb* )  2.70 2.70 0.50  !     
assign (segid A and resid 29  and name hd2* ) (segid A and resid 29  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 29  and name hd2* ) (segid A and resid 29  and name ha )   4.50 4.50 1.00  !      
assign (segid A and resid 30  and name hn )   (segid A and resid 30  and name hb* )  2.70 2.70 0.50  !     
assign (segid A and resid 30  and name hn )   (segid A and resid 30  and name hg* )  4.00 4.00 1.00  !     
assign (segid A and resid 37  and name hn )   (segid A and resid 37  and name hg2* ) 2.70 2.70 0.50  !   
assign (segid A and resid 38  and name hn )   (segid A and resid 38  and name hg1* ) 4.00 4.00 1.00  !      
assign (segid A and resid 38  and name hn )   (segid A and resid 38  and name hg2* ) 2.70 2.70 0.50  !   
assign (segid A and resid 39  and name hn )   (segid A and resid 39  and name hb* )  2.70 2.70 0.50  !    
assign (segid A and resid 39  and name hn )   (segid A and resid 39  and name hg* )  3.50 3.50 0.50  !      
assign (segid A and resid 41  and name hn )   (segid A and resid 41  and name hg1* ) 2.70 2.70 0.50  !     
assign (segid A and resid 41  and name hn )   (segid A and resid 41  and name hg2* ) 2.70 2.70 0.50  !    
assign (segid A and resid 48  and name hn )   (segid A and resid 48  and name hb* )  3.50 3.50 0.50  !     
assign (segid A and resid 49  and name hn )   (segid A and resid 49  and name hg2* ) 3.50 3.50 0.50  !      
assign (segid A and resid 52  and name hn )   (segid A and resid 52  and name hg2* ) 2.70 2.70 0.50  !      
!
!
! NOEs
!
!Long-range NOEs
!
assign (segid A and resid 3   and name ha )   (segid A and resid 51  and name ha )   4.00 4.00 1.00  !    
assign (segid A and resid 3   and name ha )   (segid A and resid  51  and name hn )  4.50 4.50 1.00  !       
assign (segid A and resid 3   and name ha )   (segid A and resid  52  and name hn )  4.50 4.50 1.00  !       
assign (segid A and resid 4   and name hn )   (segid A and resid 50  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 4   and name hn )   (segid A and resid 50  and name ha )   4.00 4.00 1.00  !  
assign (segid A and resid 4   and name hn )   (segid A and resid 50  and name hg11)  4.50 4.50 1.00  !  
assign (segid A and resid 5   and name ha )   (segid A and resid 49  and name ha )   3.50 3.50 0.50  !   
assign (segid A and resid 5   and name ha )   (segid A and resid 50  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 6   and name hn )   (segid A and resid 48  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 6   and name ha )   (segid A and resid 48  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 6   and name hb )   (segid A and resid 48  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 7   and name hn )   (segid A and resid 48  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 7   and name ha)    (segid A and resid 33  and name hb1)   4.00 4.00 1.00  !   
assign (segid A and resid 7   and name ha)    (segid A and resid 45  and name hz )   4.00 4.00 1.00  !  
assign (segid A and resid 7   and name hb1)   (segid A and resid 45  and name hz )   3.50 3.50 0.50  !  
assign (segid A and resid 7   and name ha)    (segid A and resid 47  and name ha )   3.50 3.50 0.50  !  
assign (segid A and resid 7   and name ha)    (segid A and resid 47  and name hb1)   4.00 4.00 1.00  !  
assign (segid A and resid 7   and name ha )   (segid A and resid 48  and name hn )   4.00 4.00 1.00  !         
assign (segid A and resid 7   and name hb1)   (segid A and resid 34  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid 7   and name hb2)   (segid A and resid 34  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid 9   and name hn )   (segid A and resid 14  and name hg2)   4.50 4.50 1.00  !   
assign (segid A and resid 9   and name hn )   (segid A and resid 14  and name he )   4.50 4.50 1.00  !   
assign (segid A and resid 9   and name hb )   (segid A and resid 14  and name hg2)   4.00 4.00 1.00  !     
assign (segid A and resid 9   and name hb )   (segid A and resid 45  and name hz)    4.50 4.50 1.00  !     
assign (segid A and resid 14  and name hb1)   (segid A and resid 42  and name hd2)   4.50 4.50 1.00  !
assign (segid A and resid 14  and name hb2)   (segid A and resid 42  and name hd2)   3.50 3.50 0.50  !
assign (segid A and resid 14  and name hb1 )  (segid A and resid 45  and name ha )   4.50 4.50 1.00  !     
assign (segid A and resid 14  and name hb1 )  (segid A and resid 46  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 15  and name hn )   (segid A and resid 45  and name ha )   4.50 4.50 1.00  !     
assign (segid A and resid 15  and name hn )   (segid A and resid 45  and name hb2)   4.00 4.00 1.00  !     
assign (segid A and resid 15  and name hn )   (segid A and resid 46  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 15  and name hn )   (segid A and resid 46  and name hb2 )  4.50 4.50 1.00  !   
assign (segid A and resid 15  and name ha )   (segid A and resid 46  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 16  and name hn)    (segid A and resid 45  and name ha )   4.50 4.50 1.00  !
assign (segid A and resid 16  and name ha)    (segid A and resid 45  and name ha )   3.50 3.50 0.50  ! 
!assign (segid A and resid 16  and name ha )   (segid A and resid 43  and name hn )  4.50 4.50 1.00  ! 
assign (segid A and resid 17  and name hn )   (segid A and resid 42  and name hb1 )  4.50 4.50 1.00  !   
assign (segid A and resid 17  and name hn )   (segid A and resid 42  and name hb2 )  4.00 4.00 1.00  !   
assign (segid A and resid 17  and name hn )   (segid A and resid 45  and name ha )   2.70 2.70 0.50  !   
assign (segid A and resid 17  and name ha )   (segid A and resid 45  and name ha )   3.50 3.50 0.50  !    
assign (segid A and resid 17  and name hn )   (segid A and resid 45  and name hb2)   4.00 4.00 1.00  !
assign (segid A and resid 17  and name hn )   (segid A and resid 46  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 17  and name hb2)   (segid A and resid 33  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 17  and name hb2 )  (segid A and resid 45  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 17  and name hb2 )  (segid A and resid 45  and name ha )   2.70 2.70 0.50  !   
assign (segid A and resid 17  and name ha )   (segid A and resid 46  and name hn )   4.00 4.00 1.00  !
assign (segid A and resid 17  and name hb2 )  (segid A and resid 46  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 18  and name ha1 )  (segid A and resid 44  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid 18  and name hn )   (segid A and resid 42 and name hb2)    4.50 4.50 1.00  !   
assign (segid A and resid 18  and name hn )   (segid A and resid 44  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 18  and name hn )   (segid A and resid 45  and name ha )   4.00 4.00 1.00  !      
assign (segid A and resid 18  and name ha1)   (segid A and resid 44  and name hb1)   3.50 3.50 0.50  !      
assign (segid A and resid 19  and name hn )   (segid A and resid 44  and name hb1)   4.00 4.00 1.00  ! 
assign (segid A and resid 19  and name hz )   (segid A and resid 26  and name hb1)   4.50 4.50 1.00  !     
assign (segid A and resid 19  and name hz )   (segid A and resid 26  and name he22)  4.00 4.00 1.00  !      
assign (segid A and resid 19  and name hz )   (segid A and resid 26  and name he21)  4.00 4.00 1.00  !     
assign (segid A and resid 22  and name hn )   (segid A and resid 44  and name hb1)   4.50 4.50 1.00  !     
assign (segid A and resid 24  and name hd1)   (segid A and resid 34  and name hz)    4.00 4.00 1.00  !    
assign (segid A and resid 27  and name hb1 )  (segid A and resid 34  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 27  and name hn )   (segid A and resid 44 and name hb2 )   4.50 4.50 1.00  !    
assign (segid A and resid 28  and name hn )   (segid A and resid 34 and name hb2 )   4.50 4.50 1.00  !      
assign (segid A and resid 32  and name ha )   (segid A and resid 45  and name hn )   4.50 4.50 1.00  !  
assign (segid A and resid 32  and name ha )   (segid A and resid 46  and name ha )   3.50 3.50 0.50  !  
assign (segid A and resid 33  and name hn )   (segid A and resid 44  and name ha )   4.50 4.50 1.00  !     
assign (segid A and resid 33  and name hn )   (segid A and resid 45  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 33  and name hb2 )  (segid A and resid 45  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid 33  and name hb1 )  (segid A and resid 45  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 33  and name hb1)   (segid A and resid 45  and name hz )   3.50 3.50 0.50  !    
assign (segid A and resid 33  and name hb2)   (segid A and resid 45  and name hz )   3.50 3.50 0.50  !    
assign (segid A and resid 33  and name hb2 )  (segid A and resid 46  and name ha )   4.50 4.50 1.00  !  
assign (segid A and resid 34  and name hn)    (segid A and resid 44  and name ha)    4.50 4.50 1.00  ! 
assign (segid A and resid 34  and name hn )   (segid A and resid 45  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 34  and name ha )   (segid A and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 34  and name ha)    (segid A and resid 44  and name ha)    2.30 2.30 0.50  !
assign (segid A and resid 34  and name ha)    (segid A and resid 43  and name ha)    4.50 4.50 1.00  !
assign (segid A and resid 34  and name hz)    (segid A and resid 43  and name he3)   2.70 2.70 0.50  !  
assign (segid A and resid 34  and name hz)    (segid A and resid 43  and name hb1)   4.00 4.00 1.00  !  
assign (segid A and resid 34  and name hz)    (segid A and resid 43  and name hb2)   4.00 4.00 1.00  !  
assign (segid A and resid 34  and name hb1)   (segid A and resid 44  and name ha)    4.50 4.50 1.00  ! 
assign (segid A and resid 35  and name hn )   (segid A and resid 44  and name ha )   4.00 4.00 1.00  !     
assign (segid A and resid 35  and name hn )   (segid A and resid 43  and name ha )   3.50 3.50 0.50  !    
assign (segid A and resid 35  and name hn )   (segid A and resid 43  and name hb1 )  4.00 4.00 1.00  !     
assign (segid A and resid 35  and name hn )   (segid A and resid 43  and name hd1 )  4.50 4.50 1.00  ! 
assign (segid A and resid 35  and name hn )   (segid A and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 35  and name hb2)   (segid A and resid 45  and name hz )   3.50 3.50 0.50  !  
assign (segid A and resid 36  and name ha )   (segid A and resid 43  and name he3 )  4.00 4.00 1.00  !     
assign (segid A and resid 36  and name hb2)   (segid A and resid 43  and name he3 )  4.00 4.00 1.00  !          
assign (segid A and resid 36  and name hb2)   (segid A and resid 43  and name he3 )  4.50 4.50 1.00  !          
assign (segid A and resid 36  and name ha)    (segid A and resid 43  and name he1 )  4.00 4.00 1.00  !  
assign (segid A and resid 37  and name hn)    (segid A and resid 43  and name hd1 )  4.50 4.50 1.00  ! 
!
! Long-range NOEs unambiguously absent from spectra
!
assign (segid A and resid 4   and name hn )   (segid A and resid 50  and name hb )   4.00 0.00 30.00 ! 
assign (segid A and resid 5   and name hn )   (segid A and resid 50  and name hb )   4.00 0.00 30.00 !
assign (segid A and resid 7   and name hn)    (segid A and resid 48  and name ha)    4.00 0.00 30.00 !
assign (segid A and resid 17  and name hn )   (segid A and resid 44  and name hn )   4.00 0.00 30.00 !      
!
! Medium-range NOEs
!
assign (segid A and resid  6  and name ha )   (segid A and resid  8  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid  7  and name ha)    (segid A and resid  9  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid  7  and name hb1)   (segid A and resid  9  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid  7  and name hb2)   (segid A and resid  9  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid 10  and name ha)    (segid A and resid 12  and name hn)    4.50 4.50 1.00  ! 
assign (segid A and resid 10  and name hn )   (segid A and resid 13  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 10  and name hn )   (segid A and resid 13  and name hb1)   4.00 4.00 1.00  !     
assign (segid A and resid 10  and name hn )   (segid A and resid 13  and name hb2)   4.00 4.00 1.00  !     
assign (segid A and resid 11  and name ha )   (segid A and resid 13  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 11  and name ha )   (segid A and resid 14  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 11  and name ha )   (segid A and resid 14  and name hd2)   2.70 2.70 0.50  !  
assign (segid A and resid 11  and name ha )   (segid A and resid 14  and name he )   4.00 4.00 1.00  !    
assign (segid A and resid 12  and name hn )   (segid A and resid 14  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 12  and name ha )   (segid A and resid 14  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 19  and name hn )   (segid A and resid 22  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 19  and name hb1)   (segid A and resid 22  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 22  and name hb)    (segid A and resid 27  and name hn )   3.50 3.50 0.50  !   
assign (segid A and resid 22  and name hb)    (segid A and resid 26  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 23  and name hn )   (segid A and resid 26  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 23  and name hn )   (segid A and resid 26  and name hb2 )  2.70 2.70 0.50  !   
assign (segid A and resid 23  and name hn )   (segid A and resid 26  and name hb1 )  3.50 3.50 0.50  !     
assign (segid A and resid 23  and name hn )   (segid A and resid 27  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 23  and name hn )   (segid A and resid 27  and name hb2)   4.00 4.00 1.00  !   
assign (segid A and resid 23  and name hg1 )  (segid A and resid 26  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 25  and name hn )   (segid A and resid 27  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 25  and name hn )   (segid A and resid 28  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 25  and name ha )   (segid A and resid 28  and name hn )   3.50 3.50 0.50  !      
assign (segid A and resid 25  and name ha )   (segid A and resid 29  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 26  and name hn )   (segid A and resid 28  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 26  and name ha )   (segid A and resid 29  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 26  and name ha )   (segid A and resid 30  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 27  and name ha )   (segid A and resid 30  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 27  and name ha )   (segid A and resid 31  and name hn )   4.50 4.50 1.00  !   
assign (segid A and resid 27  and name ha )   (segid A and resid 32  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 27  and name hb1 )  (segid A and resid 29  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 28  and name hn )   (segid A and resid 30  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 28  and name ha )   (segid A and resid 30  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 28  and name ha )   (segid A and resid 31  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 28  and name ha )   (segid A and resid 32  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 29  and name ha )   (segid A and resid 31  and name hn )   4.00 4.00 1.00  !     
!assign (segid A and resid 29  and name hd22)  (segid A and resid 31  and name ha2)  4.50 4.50 1.00  !     
assign (segid A and resid 29  and name hn )   (segid A and resid 31  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 34  and name hz )   (segid A and resid 36  and name hb1)   3.50 3.50 0.50  !     
assign (segid A and resid 34  and name hz )   (segid A and resid 36  and name hb2)   4.50 4.50 1.00  !     
assign (segid A and resid 35  and name ha )   (segid A and resid 37  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 36  and name ha )   (segid A and resid 38  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 38  and name hb)    (segid A and resid 41  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 38  and name hn)    (segid A and resid 41  and name hd1 )  4.50 4.50 1.00  ! 
assign (segid A and resid 38  and name hn )   (segid A and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid A and resid 39  and name hn )   (segid A and resid 41  and name hn )   4.50 4.50 1.00  !  
assign (segid A and resid 39  and name ha )   (segid A and resid 41  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 39  and name ha )   (segid A and resid 43  and name he1 )  2.70 2.70 0.50  !     
assign (segid A and resid 39  and name hn )   (segid A and resid 43  and name he1 )  4.50 4.50 1.00  ! 
assign (segid A and resid 39  and name ha )   (segid A and resid 43  and name hz2 )  3.50 3.50 0.50  !     
assign (segid A and resid 40  and name hn )   (segid A and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid A and resid 41  and name hn )   (segid A and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid A and resid 42  and name ha )   (segid A and resid 44  and name hn )   4.00 4.00 1.00  !  
assign (segid A and resid 42  and name hb2)   (segid A and resid 44  and name hn )   4.00 4.00 1.00  ! 
assign (segid A and resid 42  and name hb2)   (segid A and resid 45  and name ha )   4.50 4.50 1.00  !  
assign (segid A and resid 47  and name hb2 )  (segid A and resid 49  and name hn )   4.50 4.50 1.00  !   
!
!
! Sequential NOEs
!
assign (segid A and resid  1  and name ha)    (segid A and resid  2  and name hn)    3.50 3.50 0.50  !  
assign (segid A and resid  2  and name ha )   (segid A and resid  3  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid  3  and name ha )   (segid A and resid  4  and name hn )   2.70 2.70 0.50  !       
assign (segid A and resid  3  and name hb1 )  (segid A and resid  4  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid  3  and name hb2 )  (segid A and resid  4  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid  4  and name hn)    (segid A and resid  5  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid  4  and name hb )   (segid A and resid  5  and name hn )   2.70 2.70 0.50  !      
assign (segid A and resid  5  and name ha )   (segid A and resid  6  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid  5  and name hb2 )  (segid A and resid  6  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid  5  and name hb1 )  (segid A and resid  6  and name hn )   3.50 3.50 0.50  !   
assign (segid A and resid  5  and name hn )   (segid A and resid  6  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid  6  and name hn )   (segid A and resid  7  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid  6  and name ha )   (segid A and resid  7  and name hn )   2.70 2.70 0.50  !      
assign (segid A and resid  6  and name hb )   (segid A and resid  7  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid  7  and name ha )   (segid A and resid  8  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid  7  and name hn )   (segid A and resid  8  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid  7  and name hb2 )  (segid A and resid  8  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid  8  and name hn )   (segid A and resid  9  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid  8  and name ha )   (segid A and resid  9  and name hn )   2.70 2.70 0.50  !      
assign (segid A and resid  9  and name hn )   (segid A and resid 10  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid  9  and name ha)    (segid A and resid 10  and name hn )   2.30 2.30 0.50  !  
assign (segid A and resid  9  and name hb )   (segid A and resid 10  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 10  and name ha)    (segid A and resid 11  and name ha)    4.00 4.00 1.00  ! 
assign (segid A and resid 11  and name ha )   (segid A and resid 12  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 12  and name hn )   (segid A and resid 13  and name hn )   2.70 2.70 0.50  !   
assign (segid A and resid 12  and name ha )   (segid A and resid 13  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 13  and name hn )   (segid A and resid 14  and name hb2 )  4.50 4.50 1.00  !   
assign (segid A and resid 13  and name hn )   (segid A and resid 14  and name hg1 )  4.00 4.00 1.00  !     
assign (segid A and resid 13  and name hn )   (segid A and resid 14  and name hn )   2.70 2.70 0.50  !      
assign (segid A and resid 13  and name hn )   (segid A and resid 14  and name he )   4.50 4.50 1.00  !      
assign (segid A and resid 13  and name ha )   (segid A and resid 14  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 13  and name hb2 )  (segid A and resid 14  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 14  and name hn )   (segid A and resid 15  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 14  and name ha )   (segid A and resid 15  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 14  and name hb2 )  (segid A and resid 15  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 14  and name hb1 )  (segid A and resid 15  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 14  and name hg1 )  (segid A and resid 15  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 15  and name ha )   (segid A and resid 16  and name hn )   2.30 2.30 0.50  !   
assign (segid A and resid 16  and name hn )   (segid A and resid 17  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 16  and name ha)    (segid A and resid 17  and name hn)    3.50 3.50 0.50  !  
assign (segid A and resid 16  and name hb2)   (segid A and resid 17  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 17  and name hn )   (segid A and resid 18  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 17  and name ha )   (segid A and resid 18  and name hn )   2.70 2.70 0.50  ! 
assign (segid A and resid 17  and name hb2 )  (segid A and resid 18  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 18  and name hn )   (segid A and resid 19  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 18  and name ha1)   (segid A and resid 19  and name hn )   2.70 2.70 0.50  !      
assign (segid A and resid 19  and name hn )   (segid A and resid 20  and name hd1)   4.50 4.50 1.00  !   
assign (segid A and resid 19  and name ha)    (segid A and resid 20  and name ha )   4.50 4.50 1.00  ! 
assign (segid A and resid 19  and name ha)    (segid A and resid 20  and name hd1)   2.30 2.30 0.50  ! 
assign (segid A and resid 19  and name ha)    (segid A and resid 20  and name hd2)   3.50 3.50 0.50  ! 
assign (segid A and resid 20  and name hb2 )  (segid A and resid 21  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 20  and name hb1 )  (segid A and resid 21  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 21  and name ha2 )  (segid A and resid 22  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 21  and name ha1 )  (segid A and resid 22  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 22  and name hn )   (segid A and resid 23  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 22  and name ha )   (segid A and resid 23  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 22  and name hb)    (segid A and resid 23  and name ha)    4.00 4.00 1.00  !  
assign (segid A and resid 24  and name hd2)   (segid A and resid 25  and name hn)    4.00 4.00 1.00  ! 
assign (segid A and resid 24  and name ha )   (segid A and resid 25  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid 25  and name hn )   (segid A and resid 26  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 25  and name ha )   (segid A and resid 26  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 26  and name hn )   (segid A and resid 27  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 26  and name hn )   (segid A and resid 27  and name hb2 )  4.50 4.50 1.00  !     
assign (segid A and resid 26  and name ha )   (segid A and resid 27  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 26  and name hb2 )  (segid A and resid 27  and name hn )   3.50 3.50 0.50  !    
assign (segid A and resid 26  and name hb1 )  (segid A and resid 27  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid 27  and name hn )   (segid A and resid 28  and name hn )   2.70 2.70 0.50  !    
assign (segid A and resid 27  and name ha )   (segid A and resid 28  and name hn )   4.00 4.00 1.00  !    
assign (segid A and resid 27  and name hb1 )  (segid A and resid 28  and name hn )   3.50 3.50 0.50  !    
assign (segid A and resid 27  and name hb2)   (segid A and resid 28  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 28  and name hn )   (segid A and resid 29  and name ha )   4.50 4.50 1.00  !     
assign (segid A and resid 28  and name ha )   (segid A and resid 29  and name hn )   3.50 3.50 0.50  !      
assign (segid A and resid 29  and name hn )   (segid A and resid 30  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 29  and name ha )   (segid A and resid 30  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 30  and name hn )   (segid A and resid 31  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 30  and name hn )   (segid A and resid 31  and name ha2)   4.00 4.00 1.00  !     
assign (segid A and resid 30  and name ha )   (segid A and resid 31  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 31  and name hn )   (segid A and resid 32  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 31  and name ha1 )  (segid A and resid 32  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 31  and name ha2 )  (segid A and resid 32  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 31  and name hn )   (segid A and resid 32  and name hb2 )  4.50 4.50 1.00  !     
assign (segid A and resid 32  and name hb2)   (segid A and resid 33  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 32  and name hn )   (segid A and resid 33  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 32  and name ha )   (segid A and resid 33  and name hn )   2.70 2.70 0.50  !  
assign (segid A and resid 32  and name hb1 )  (segid A and resid 33  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 33  and name ha )   (segid A and resid 34  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 33  and name ha)    (segid A and resid 34  and name ha)    4.50 4.50 1.00  !
assign (segid A and resid 33  and name hb2 )  (segid A and resid 34  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 33  and name hb1 )  (segid A and resid 34  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 34  and name hn )   (segid A and resid 35  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 34  and name ha )   (segid A and resid 35  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 34  and name ha)    (segid A and resid 35  and name ha)    4.50 4.50 1.00  !
assign (segid A and resid 34  and name hb2 )  (segid A and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 34  and name hb1 )  (segid A and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid A and resid 35  and name hn )   (segid A and resid 36  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 35  and name ha )   (segid A and resid 36  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 35 and  name hb1)   (segid A and resid 36  and name hn )   4.00 4.00 1.00  ! 
assign (segid A and resid 36  and name ha )   (segid A and resid 37  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 37  and name hn )   (segid A and resid 38  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 37  and name hn )   (segid A and resid 38  and name hb )   4.50 4.50 1.00  !   
assign (segid A and resid 37  and name ha )   (segid A and resid 38  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 38  and name hn )   (segid A and resid 39  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 38  and name ha )   (segid A and resid 39  and name hn )   2.30 2.30 0.50  !    
assign (segid A and resid 39  and name hn )   (segid A and resid 40  and name hn )   4.50 4.50 1.00  !    
assign (segid A and resid 39  and name hn )   (segid A and resid 40  and name ha1 )  4.50 4.50 1.00  !  
assign (segid A and resid 39  and name ha )   (segid A and resid 40  and name hn )   2.70 2.70 0.50  !    
assign (segid A and resid 40  and name hn )   (segid A and resid 41  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 41  and name ha)    (segid A and resid 42  and name ha )   4.00 4.00 1.00  !    
assign (segid A and resid 41  and name hn )   (segid A and resid 42  and name hd2 )  4.50 4.50 1.00  !      
assign (segid A and resid 41  and name ha)    (segid A and resid 42  and name hd1)   2.30 2.30 0.50  !
assign (segid A and resid 41  and name ha)    (segid A and resid 42  and name hd2)   3.50 3.50 0.50  ! 
assign (segid A and resid 42  and name ha )   (segid A and resid 43  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 42  and name hb2 )  (segid A and resid 43  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 43  and name hn )   (segid A and resid 44  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 43  and name ha )   (segid A and resid 44  and name hn )   3.50 3.50 0.50  !   
assign (segid A and resid 43  and name hn )   (segid A and resid 44  and name ha )   4.50 4.50 1.00  !     
assign (segid A and resid 43  and name hn )   (segid A and resid 44  and name hb1)   4.50 4.50 1.00  !     
assign (segid A and resid 43  and name hb2 )  (segid A and resid 44  and name hn )   4.00 4.00 1.00  !   
!assign (segid A and resid 43  and name hd1 )  (segid A and resid 44  and name hn )  4.50 4.50 1.00  !      
assign (segid A and resid 44  and name hn )   (segid A and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 44  and name ha )   (segid A and resid 45  and name hn )   2.30 2.30 0.50  !      
assign (segid A and resid 44  and name ha )   (segid A and resid 45  and name ha )   4.00 4.00 1.00  !   
assign (segid A and resid 44  and name hb1 )  (segid A and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid A and resid 45  and name hn )   (segid A and resid 46  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 46  and name ha )   (segid A and resid 47  and name hd2 )  3.50 3.50 0.50  !      
assign (segid A and resid 46  and name ha )   (segid A and resid 47  and name hd1 )  2.70 2.70 0.50  !      
assign (segid A and resid 47  and name ha )   (segid A and resid 48  and name hn )   2.30 2.30 0.50  !      
assign (segid A and resid 47  and name hb2 )  (segid A and resid 48  and name hn )   2.70 2.70 0.50  !      
assign (segid A and resid 47  and name hb1 )  (segid A and resid 48  and name hn )   3.50 3.50 0.50  !      
assign (segid A and resid 47  and name hb2 )  (segid A and resid 48  and name ha )   4.00 4.00 1.00  !   
assign (segid A and resid 48  and name hn )   (segid A and resid 49  and name hn )   4.00 4.00 1.00  !      
assign (segid A and resid 48  and name ha )   (segid A and resid 49  and name hn )   2.30 2.30 0.50  !   
assign (segid A and resid 48  and name ha )   (segid A and resid 49  and name ha )   4.50 4.50 1.00  !  
assign (segid A and resid 49  and name ha )   (segid A and resid 50  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 50  and name ha )   (segid A and resid 51  and name hn )   2.30 2.30 0.50  !     
assign (segid A and resid 50  and name hg11 ) (segid A and resid 51  and name hn )   4.50 4.50 1.00  !     
assign (segid A and resid 50  and name hg12 ) (segid A and resid 51  and name hn )   4.50 4.50 1.00  !      
assign (segid A and resid 50  and name hb )   (segid A and resid 51  and name hn )   3.50 3.50 0.50  !     
assign (segid A and resid 51  and name ha )   (segid A and resid 52  and name hn )   2.70 2.70 0.50  !     
assign (segid A and resid 51  and name hb2 )  (segid A and resid 52  and name hn )   4.00 4.00 1.00  !      
!
!Sequential NOEs unambiguously absent from spectra
!
assign (segid A and resid 8   and name hn)    (segid A and resid  9  and name ha)    4.00 0.00 30.00  !
assign (segid A and resid 19  and name hb1 )  (segid A and resid 21  and name hn )   4.00 0.00 30.00  !    
!
!Intrasegid A and residue NOEs
!
assign (segid A and resid 3   and name hn )   (segid A and resid 3   and name hb1 )  3.50 3.50 0.50  !    
assign (segid A and resid 3   and name hn )   (segid A and resid 3   and name hb2 )  2.70 2.70 0.50  !    
assign (segid A and resid 4   and name hn )   (segid A and resid 4   and name hb )   3.50 3.50 0.50  !      
assign (segid A and resid 5   and name hn )   (segid A and resid 5   and name hb2 )  3.50 3.50 0.50  !    
assign (segid A and resid 5   and name hn )   (segid A and resid 5   and name hb1 )  4.00 4.00 1.00  !     
assign (segid A and resid 5   and name hn )   (segid A and resid 5   and name hg1 )  4.00 4.00 1.00  !      
assign (segid A and resid 6   and name hn )   (segid A and resid 6   and name hb )   3.50 3.50 0.50  !     
assign (segid A and resid 7   and name hn )   (segid A and resid 7   and name hb1 )  4.00 4.00 1.00  !      
assign (segid A and resid 9   and name hn )   (segid A and resid 9   and name hb )   2.70 2.70 0.50  !      
assign (segid A and resid 10  and name hn )   (segid A and resid 10  and name ha )   2.70 2.70 0.50  !    
assign (segid A and resid 12  and name hn )   (segid A and resid 12  and name hb2 )  3.50 3.50 0.50  !      
assign (segid A and resid 12  and name hn )   (segid A and resid 12  and name hb1 )  3.50 3.50 0.50  !   
assign (segid A and resid 13  and name hn )   (segid A and resid 13  and name hb1 )  3.50 3.50 0.50  !     
assign (segid A and resid 13  and name hn )   (segid A and resid 13  and name hb2 )  4.00 4.00 1.00  !   
assign (segid A and resid 14  and name hn )   (segid A and resid 14  and name ha )   2.70 2.70 0.50  !      
assign (segid A and resid 14  and name hn )   (segid A and resid 14  and name hb2 )  2.70 2.70 0.50  !      
assign (segid A and resid 14  and name hn )   (segid A and resid 14  and name hb1 )  4.00 4.00 1.00  !      
assign (segid A and resid 14  and name hn )   (segid A and resid 14  and name hg2 )  4.00 4.00 1.00  !   
assign (segid A and resid 14  and name hn )   (segid A and resid 14  and name hg1 )  3.50 3.50 0.50  !     
assign (segid A and resid 14  and name hn )   (segid A and resid 14  and name hd2 )  4.50 4.50 1.00  !      
assign (segid A and resid 15  and name he22 ) (segid A and resid 15  and name hg1 )  4.50 4.50 1.00  !    
assign (segid A and resid 15  and name he21 ) (segid A and resid 15  and name hg2 )  4.50 4.50 1.00  !      
assign (segid A and resid 15  and name he21 ) (segid A and resid 15  and name hg1 )  4.50 4.50 1.00  !     
assign (segid A and resid 15  and name he22 ) (segid A and resid 15  and name hg2 )  4.50 4.50 1.00  !     
assign (segid A and resid 16  and name hn )   (segid A and resid 16  and name hb1 )  2.70 2.70 0.50  !      
assign (segid A and resid 16  and name hn )   (segid A and resid 16  and name hb2 )  2.30 2.30 0.50  !      
assign (segid A and resid 17  and name hn )   (segid A and resid 17  and name hb1)   2.30 2.30 0.50  !    
assign (segid A and resid 17  and name hn )   (segid A and resid 17  and name hb2)   4.00 4.00 1.00  !  
assign (segid A and resid 19  and name hn )   (segid A and resid 19  and name hb2 )  4.00 4.00 1.00  !     
assign (segid A and resid 21  and name hn )   (segid A and resid 21  and name ha1 )  2.30 2.30 0.50  !      
assign (segid A and resid 23  and name hn )   (segid A and resid 23  and name hb )   4.00 4.00 1.00  !     
assign (segid A and resid 26  and name hn )   (segid A and resid 26  and name hb2 )  2.70 2.70 0.50  !     
assign (segid A and resid 26  and name hn )   (segid A and resid 26  and name hb1 )  4.00 4.00 1.00  !     
assign (segid A and resid 27  and name hn )   (segid A and resid 27  and name ha )   2.70 2.70 0.50  !     
assign (segid A and resid 27  and name hn )   (segid A and resid 27  and name hb2 )  2.70 2.70 0.50  !     
assign (segid A and resid 27  and name hn )   (segid A and resid 27  and name hb1 )  2.70 2.70 0.50  !     
assign (segid A and resid 32  and name hn )   (segid A and resid 32  and name hb1 )  4.00 4.00 1.00  !      
assign (segid A and resid 32  and name hn )   (segid A and resid 32  and name hb2)   3.50 3.50 0.50  !     
assign (segid A and resid 33  and name hn )   (segid A and resid 33  and name hb2 )  2.70 2.70 0.50  !      
assign (segid A and resid 33  and name hn )   (segid A and resid 33  and name hb1 )  4.00 4.00 1.00  !      
assign (segid A and resid 34  and name hn )   (segid A and resid 34  and name hb2 )  2.70 2.70 0.50  !      
assign (segid A and resid 34  and name hn )   (segid A and resid 34  and name hb1 )  2.70 2.70 0.50  !     
assign (segid A and resid 35  and name hn )   (segid A and resid 35  and name hb2 )  3.50 3.50 0.50  !     
assign (segid A and resid 35  and name hn )   (segid A and resid 35  and name hb1 )  4.50 4.50 1.00  !      
assign (segid A and resid 36  and name hn )   (segid A and resid 36  and name hb2 )  4.00 4.00 1.00  !   
assign (segid A and resid 36  and name hn )   (segid A and resid 36  and name hb1 )  4.00 4.00 1.00  !   
assign (segid A and resid 37  and name hn )   (segid A and resid 37  and name hb )   3.50 3.50 0.50  !     
assign (segid A and resid 38  and name hn )   (segid A and resid 38  and name hb )   2.70 2.70 0.50  !     
assign (segid A and resid 41  and name hn )   (segid A and resid 41  and name hb )   3.50 3.50 0.50  !     
assign (segid A and resid 43  and name hn )   (segid A and resid 43  and name ha )   2.70 2.70 0.50  !      
assign (segid A and resid 43  and name hn )   (segid A and resid 43  and name hb2 )  3.50 3.50 0.50  !     
assign (segid A and resid 43  and name hn )   (segid A and resid 43  and name hb1 )  4.00 4.00 1.00  !     
!assign (segid A and resid 43  and name hn )   (segid A and resid 43  and name hd1 )  3.50 3.50 0.50  !      
assign (segid A and resid 43  and name he1 )  (segid A and resid 43  and name hb1 )  4.50 4.50 1.00  !      
assign (segid A and resid 43  and name hd1)   (segid A and resid 43  and name hb2 )  3.50 3.50 0.50  !  
assign (segid A and resid 43  and name hd1)   (segid A and resid 43  and name hb1 )  3.50 3.50 0.50  !  
assign (segid A and resid 43  and name he3)   (segid A and resid 43  and name ha )   4.50 4.50 1.00  !
assign (segid A and resid 43  and name he3)   (segid A and resid 43  and name hb2 )  4.00 4.00 1.00  !  
assign (segid A and resid 43  and name he3)   (segid A and resid 43  and name hb1 )  4.00 4.00 1.00  !  
assign (segid A and resid 44  and name hn )   (segid A and resid 44  and name hb2 )  3.50 3.50 0.50  !      
assign (segid A and resid 44  and name hn )   (segid A and resid 44  and name hb1 )  2.70 2.70 0.50  !      
assign (segid A and resid 45  and name hn )   (segid A and resid 45  and name hb2 )  3.50 3.50 0.50  !     
assign (segid A and resid 46  and name hn )   (segid A and resid 46  and name hb2 )  2.70 2.70 0.50  !      
assign (segid A and resid 46  and name hn )   (segid A and resid 46  and name hb1 )  4.00 4.00 1.00  !     
assign (segid A and resid 49  and name hn )   (segid A and resid 49  and name hb )   4.00 4.00 1.00  !      
assign (segid A and resid 50  and name hn )   (segid A and resid 50  and name hb )   2.70 2.70 0.50  !      
assign (segid A and resid 50  and name hn )   (segid A and resid 50  and name hg11 ) 3.50 3.50 0.50  !      
assign (segid A and resid 50  and name hn )   (segid A and resid 50  and name hg12 ) 4.00 4.00 1.00  !      
assign (segid A and resid 51  and name hn )   (segid A and resid 51  and name hb2 )  3.50 3.50 0.50  !      
assign (segid A and resid 52  and name hn )   (segid A and resid 52  and name ha )   2.70 2.70 0.50  !   
assign (segid A and resid 52  and name hn )   (segid A and resid 52  and name hb )   3.50 3.50 0.50  !   
!
! Ambigously assigned NOEs 
!
assign ((segid A and resid  3 or segid A and resid 49) and name ha )   (segid A and resid  5   and name hn )   4.50 4.50 1.00  !        
assign ((segid A and resid 3 or segid A and resid 5)   and name hb1 )  (segid A and resid 50  and name hn )   4.50 4.50 1.00  !  
assign (segid A and resid 4   and name hn )   ((segid A and resid 2 and name hb*) or (segid A and resid 50  and name hg2*))  4.50 4.50 1.00  !  
assign  (segid A and resid 6   and name hn)    ((segid A and resid 8 or segid A and resid 50)  and name hn )     4.50 4.50 1.00  !    
assign ((segid A and resid 11  and name ha)  or (segid A and resid 42 and name hd2))   (segid A and resid 14  and name hg1)   3.50 3.50 0.50  !
assign ((segid A and resid 11  and name ha)  or (segid A and resid 42 and name hd2))   (segid A and resid 14  and name hg2)   4.00 4.00 1.00  !
assign ((segid A and resid 11  and name ha)  or (segid A and resid 42 and name hd2))   (segid A and resid 41  and name hg1*)  3.50 3.50 0.50  !
assign ((segid A and resid 11  and name ha)  or (segid A and resid 42 and name hd2))   (segid A and resid 41  and name hg2*)  3.50 3.50 0.50  !
assign ((segid A and resid 12  and name hg*) or (segid A and resid 14 and name hg1) )  (segid A and resid 41  and name hg1*)  4.50 4.50 1.00  !       
assign ((segid A and resid 16  or segid A and resid 44)  and name hb1)   (segid A and resid 17  and name hn )    4.00 4.00 1.00  !    
assign ((segid A and resid 16  or segid A and resid 44)  and name hb1)   (segid A and resid 18  and name hn )    4.00 4.00 1.00  !     
assign  (segid A and resid 18  and name hn)    ((segid A and resid 17 and name hb1) or (segid A and resid 44 and name hb2))   3.50 3.50 0.50  !    
assign ((segid A and resid 18  and name ha1) or (segid A and resid 19 and name hb1) )  (segid A and resid 19  and name hn )   2.70 2.70 0.50  !      
assign  (segid A and resid 18  and name ha*)    (segid A and resid 22 and (name hb or name hg1* ))   4.50 4.50 1.00  !  
assign  (segid A and resid 19  and name hn )    (segid A and resid 22 and (name hb or name hg1* ))   4.00 4.00 1.00  !   
assign  (segid A and resid 19  and name hd*)    (segid A and resid 22 and (name hb or name hg1* ))   3.50 3.50 0.50  !   
assign ((segid A and resid 19  or segid A and resid 34)  and name he*)    (segid A and resid 23  and name hn)    3.50 3.50 1.00  !   
assign  (segid A and resid 22  and (name hg1* or name hb))    (segid A and resid 23  and name hn )   4.00 4.00 1.00  !    
assign  (segid A and resid 22  and (name hb or name hg1*))    (segid A and resid 26  and name he21 ) 4.50 4.50 1.00  !      
assign  (segid A and resid 22  and (name hg1* or name hb))    (segid A and resid 44  and name hb1)   4.50 4.50 1.00  !   
assign  (segid A and resid 22  and (name hg1* or name hb))    (segid A and resid 44  and name hn)    4.50 4.50 1.00  !    
assign  (segid A and resid 22  and name hn )    (segid A and resid 22 and (name hb or name hg1*))    2.30 2.30 0.50  !   
assign  (segid A and resid 23  and name hn )    (segid A and resid 24 and (name hd2 or name hd1))    4.00 4.00 1.00  !    
assign  (segid A and resid 25  and name hn )    (segid A and resid 24 and (name hb1 or name hb2 ))   3.50 3.50 0.50  !      
assign  (segid A and resid 28  and (name hb1 or name hb2))    (segid A and resid 30  and name hn )   4.50 4.50 1.00  !     
assign  (segid A and resid 29  and name hn )    (segid A and resid 29 and (name hb2 or name hb1) )   2.70 2.70 0.50  !      
assign  (segid A and resid 29  and (name hb1 or name hb2))    (segid A and resid 30  and name hn )   2.70 2.70 0.50  !      
assign  (segid A and resid 30  and (name hb1 or name hb2))    (segid A and resid 31  and name hn )   4.00 4.00 1.00  !     
assign  (segid A and resid 30  and (name hb1 or name hb2))    (segid A and resid 32  and name hn )   4.00 4.00 1.00  !     
assign  (segid A and resid 29  and name hn )   ((segid A and resid 26 and  name hb1) or (segid A and resid 30 and name hb*)) 4.50 4.50 1.00  !
assign  ((segid A and resid 43 or segid A and resid 42)  and name hb1 )  (segid A and resid 44  and name hn )   4.00 4.00 1.00  !  
assign  (segid A and resid 45  and name hn )   ((segid A and resid 45 or   segid A and resid 17)  and name hb1 ) 3.50 3.50 0.50  !      
assign  (segid A and resid 50  and name hn )    (segid A and resid 50 and (name hg2* or name hd1*))  4.00 4.00 1.00  !   
assign  (segid A and resid 51  and name hn )   ((segid A and resid 52  and name hn ) or  (segid A and resid 50 and name hn ))  4.00 4.00 1.00  
!
! NOE's from aromatic protons
!
!Long-range NOEs
!
assign (segid B and resid  9  and name hn )   (segid B and resid 14  and name hh*)   4.50 4.50 1.00  !  hh2* and hh1* seperate signals
assign (segid B and resid  9  and name hb )   (segid B and resid 45  and name hd*)   4.00 4.00 1.00  !  
assign (segid B and resid  9  and name hg2*)  (segid B and resid 45  and name hd*)   4.00 4.00 1.00  !  
assign (segid B and resid  9  and name hg2*)  (segid B and resid 45  and name he*)   3.50 3.50 0.50  !  
assign (segid B and resid 14  and name hh*)   (segid B and resid 38  and name hg1*)  4.50 4.50 1.00  !  hh2*  
assign (segid B and resid 14  and name hh*)   (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !  hh2*  
assign (segid B and resid 15  and name ha)    (segid B and resid 46  and name hd*)   4.00 4.00 1.00  !            
assign (segid B and resid 15  and name hb*)   (segid B and resid 46  and name hd*)   2.70 2.70 0.50  !            
assign (segid B and resid 15  and name hg*)   (segid B and resid 46  and name hd*)   3.50 3.50 0.50  !            
assign (segid B and resid 17  and name ha )   (segid B and resid 46  and name hd*)   3.50 3.50 0.50  !  
assign (segid B and resid 17  and name hn )   (segid B and resid 46  and name he*)   4.50 4.50 1.00  !   
assign (segid B and resid 17  and name ha )   (segid B and resid 46  and name he*)   3.50 3.50 0.50  !
assign (segid B and resid 17  and name hb1 )  (segid B and resid 46  and name hd*)   4.00 4.00 1.00  !   
assign (segid B and resid 17  and name hb2 )  (segid B and resid 46  and name hd*)   3.50 3.50 0.50  !  
assign (segid B and resid 17  and name hb1 )  (segid B and resid 46  and name he*)   4.00 4.00 1.00  !  
assign (segid B and resid 22  and name hg2*)  (segid B and resid 34  and name hd*)   4.00 4.00 1.00  !  
assign (segid B and resid 22  and name hg2*)  (segid B and resid 34  and name he*)   2.70 2.70 0.50  !   
assign (segid B and resid 27  and name hn)    (segid B and resid 34  and name hd*)   4.00 4.00 1.00  !            
assign (segid B and resid 27  and name hb2)   (segid B and resid 34  and name hd*)   2.70 2.70 0.50  !            
assign (segid B and resid 33  and name hn )   (segid B and resid 45  and name hd*)   4.50 4.50 1.00  !     
assign (segid B and resid 28  and name hn )   (segid B and resid 34  and name hd*)   4.50 4.50 1.00  !   
assign (segid B and resid 34  and name hd*)   (segid B and resid 43  and name he3)   4.50 4.50 1.00  !  
assign (segid B and resid 34  and name he*)   (segid B and resid 43  and name he3)   3.50 3.50 0.50  !  
assign (segid B and resid 34  and name hd*)   (segid B and resid 44  and name ha)    4.00 4.00 1.00  !  
!
!Medium-range NOEs
!
assign (segid B and resid 19  and name hd*)   (segid B and resid 21  and name ha2)   4.00 4.00 1.00  !   
assign (segid B and resid 19  and name hd*)   (segid B and resid 22  and name hn)    4.00 4.00 1.00  !   
assign (segid B and resid 19  and name he*)   (segid B and resid 22  and name hn)    4.00 4.00 1.00  !   
assign (segid B and resid 19  and name he*)   (segid B and resid 22  and name ha)    2.70 2.70 0.50  !   
assign (segid B and resid 19  and name he*)   (segid B and resid 23  and name hn)    4.50 4.50 1.00  !    
assign (segid B and resid 34  and name hd*)   (segid B and resid 36  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 34  and name he*)   (segid B and resid 36  and name hb1)   3.50 3.50 0.50  !   
!
!Sequential NOEs
!
assign (segid B and resid 19  and name hd*)   (segid B and resid 18  and name ha2)   3.50 3.50 0.50  !  
assign (segid B and resid 19  and name hd*)   (segid B and resid 20  and name hd1)   4.00 4.00 1.00  !  
assign (segid B and resid 19  and name hd*)   (segid B and resid 20  and name hd2)   4.00 4.00 1.00  !  
assign (segid B and resid 34  and name hd* )  (segid B and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 34  and name hd* )  (segid B and resid 35  and name ha )   4.00 4.00 1.00  !  
assign (segid B and resid 34  and name he* )  (segid B and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 45  and name ha )   (segid B and resid 46  and name hd*)   4.00 4.00 1.00  !  
assign (segid B and resid 46  and name hd* )  (segid B and resid 47  and name hd1 )  3.50 3.50 0.50  !   
assign (segid B and resid 46  and name hd* )  (segid B and resid 47  and name hd2 )  3.50 3.50 0.50  !   
!
!Intrasegid B and residue NOEs
!
assign (segid B and resid 19  and name hn )   (segid B and resid 19  and name he* )  4.50 4.50 1.00  !   
assign (segid B and resid 19  and name hn )   (segid B and resid 19  and name hd* )  4.00 4.00 1.00  !   
assign (segid B and resid 19  and name ha )   (segid B and resid 19  and name hd*)   3.50 3.50 0.50  !  
assign (segid B and resid 19  and name hb1 )  (segid B and resid 19  and name hd*)   2.70 2.70 0.50  !  
assign (segid B and resid 19  and name hb2 )  (segid B and resid 19  and name hd*)   2.70 2.70 0.50  !  
assign (segid B and resid 34  and name hn )   (segid B and resid 34  and name hd* )  4.00 4.00 1.00  !   
assign (segid B and resid 34  and name ha )   (segid B and resid 34  and name hd* )  3.50 3.50 0.50  !   
assign (segid B and resid 34  and name hb1 )  (segid B and resid 34  and name hd* )  3.50 3.50 0.50  !   
assign (segid B and resid 34  and name hb2 )  (segid B and resid 34  and name hd* )  2.30 2.30 0.50  !   
assign (segid B and resid 45  and name hn )   (segid B and resid 45  and name he* )  4.50 4.50 1.00  !      
assign (segid B and resid 45  and name hn )   (segid B and resid 45  and name hd* )  4.50 4.50 1.00  !     
assign (segid B and resid 46  and name hn )   (segid B and resid 46  and name hd* )  4.00 4.00 1.00  !   
assign (segid B and resid 46  and name hn )   (segid B and resid 46  and name he* )  4.50 4.50 1.00  !   
assign (segid B and resid 46  and name ha)    (segid B and resid 46  and name hd*)   4.00 4.00 1.00  !  
assign (segid B and resid 46  and name hb1)   (segid B and resid 46  and name hd*)   2.70 2.70 0.50  !  
assign (segid B and resid 46  and name hb2)   (segid B and resid 46  and name hd*)   2.70 2.70 0.50  !  
!
! Aromatic NOEs unambigously absent from spectra
!
assign (segid B and resid 17  and name hn )   (segid B and resid 46  and name hd* )  4.00 0.00 30.00 !  
assign (segid B and resid 30  and name hn )   (segid B and resid 46  and name he* )  4.00 0.00 30.00 !  
assign (segid B and resid 31  and name hn )   (segid B and resid 46  and name he* )  4.00 0.00 30.00 !    
assign (segid B and resid 44  and name hn)    (segid B and resid 45  and name hd* )  4.00 0.00 30.00 !   
!
!
! Methyl groups requiring r^6 sum averaging
!
! Long range
!
assign (segid B and resid 5   and name ha )   (segid B and resid 49  and name hg2*)  3.50 3.50 0.50  !  
assign (segid B and resid 6   and name hg2*)  (segid B and resid 48  and name hn  )  4.50 4.50 1.00  !   
assign (segid B and resid 6   and name hn )   (segid B and resid 50  and name hd1* ) 4.50 4.50 1.00  !  
assign (segid B and resid 9   and name hg1*)  (segid B and resid 14  and name hn )   4.00 4.00 1.00  ! 
assign (segid B and resid 9   and name hg1* ) (segid B and resid 14  and name ha )   3.50 3.50 0.50  !    
assign (segid B and resid 9   and name hg1* ) (segid B and resid 14  and name hg1)   4.00 4.00 1.00  !    
assign (segid B and resid 9   and name hg1*)  (segid B and resid 14  and name hg2)   4.00 4.00 1.00  !  
assign (segid B and resid 9   and name hg1* ) (segid B and resid 14  and name he )   4.50 4.50 1.00  !    
assign (segid B and resid 9   and name hg2* ) (segid B and resid 14  and name he )   4.00 4.00 1.00  !     
assign (segid B and resid 9   and name hg1* ) (segid B and resid 15  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 9   and name hg2*)  (segid B and resid 45  and name hz)    4.00 4.00 1.00  !  
assign (segid B and resid 9   and name hg2*)  (segid B and resid 47  and name ha)    4.00 4.00 1.00  !  
assign (segid B and resid 9   and name hg2*)  (segid B and resid 48  and name hn)    4.00 4.00 1.00  !  
assign (segid B and resid 9   and name hg2*)  (segid B and resid 48  and name ha)    4.50 4.50 1.00  !  
assign (segid B and resid 9   and name hg1* ) (segid B and resid 48  and name hd2* ) 4.50 4.50 1.00  !     
assign (segid B and resid 9   and name hg2* ) (segid B and resid 48  and name hd2* ) 4.50 4.50 1.00  !    
assign (segid B and resid 11  and name hb1)   (segid B and resid 38  and name hg1*)  4.00 4.00 1.00  !  
assign (segid B and resid 11  and name hb2)   (segid B and resid 41  and name hg1*)  4.00 4.00 1.00  !  
assign (segid B and resid 11  and name hb1)   (segid B and resid 38  and name hg2*)  4.50 4.50 1.00  !
assign (segid B and resid 11  and name hb2)   (segid B and resid 41  and name hg2*)  4.50 4.50 1.00  ! 
assign (segid B and resid 12  and name hn)    (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid B and resid 12  and name ha)    (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !  
assign (segid B and resid 14  and name hb2)   (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !
assign (segid B and resid 22  and name hg2*)  (segid B and resid 34  and name ha)    4.50 4.50 1.00  ! 
assign (segid B and resid 22  and name hg2*)  (segid B and resid 34  and name hz )   4.00 4.00 1.00  !  
assign (segid B and resid 22  and name hg2*)  (segid B and resid 43  and name he3)   4.00 4.00 1.00  ! 
assign (segid B and resid 22  and name hg2*)  (segid B and resid 44  and name hn)    4.00 4.00 1.00  !  
assign (segid B and resid 22  and name hg2*)  (segid B and resid 44  and name ha)    4.00 4.00 1.00  ! 
assign (segid B and resid 22  and name hg2*)  (segid B and resid 44  and name hb1)   3.50 3.50 0.50  !    
assign (segid B and resid 22  and name hg2*)  (segid B and resid 27  and name hb1)   4.00 4.00 1.00  !
!
! Medium range
!    
assign (segid B and resid 7   and name ha)    (segid B and resid 9   and name hg2*)  3.50 3.50 0.50  !
assign (segid B and resid 9   and name hg1* ) (segid B and resid 13  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid 9   and name hg1* ) (segid B and resid 13  and name hb2 )  4.00 4.00 1.00  !   
assign (segid B and resid 10  and name hb* )  (segid B and resid 12  and name hn )   3.50 3.50 0.50  !    
assign (segid B and resid 10  and name hb*)   (segid B and resid 13  and name hn)    3.50 3.50 0.50  !   
assign (segid B and resid 10  and name hb*)   (segid B and resid 14  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 10  and name hb*)   (segid B and resid 13  and name hb1)   4.00 4.00 1.00  !    
assign (segid B and resid 18  and name ha1)   (segid B and resid 22  and name hg2*)  3.50 3.50 0.50  !     
assign (segid B and resid 18  and name hn)    (segid B and resid 22  and name hg2*)  4.00 4.00 1.00  !     
assign (segid B and resid 18  and name hn )   (segid B and resid 22 and name hg1*)   4.50 4.50 1.00  !    
assign (segid B and resid 19  and name hn )   (segid B and resid 22  and name hg2* ) 4.00 4.00 1.00  !     
assign (segid B and resid 23  and name hg2* ) (segid B and resid 25  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 23  and name hg2* ) (segid B and resid 26  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 23  and name hg2* ) (segid B and resid 26  and name he2* ) 4.50 4.50 1.00  !    
assign (segid B and resid 26  and name hn )   (segid B and resid 28  and name hb* )  4.50 4.50 1.00  !   
assign (segid B and resid 28 and name hb*)    (segid B and resid 32 and name hn)     4.50 4.50 1.00  !
assign (segid B and resid 38  and name hn )   (segid B and resid 41  and name hg2* ) 4.50 4.50 1.00  !    
assign (segid B and resid 38  and name hb )   (segid B and resid 41  and name hg2*)  3.50 3.50 0.50  !   
assign (segid B and resid 38 and name  hg1*)  (segid B and resid 41  and name hg2*)  4.00 4.00 1.00  !
assign (segid B and resid 38  and name hg1*)  (segid B and resid 41  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 39  and name hn )   (segid B and resid 41  and name hg2* ) 4.50 4.50 1.00  !     
assign (segid B and resid 41  and name hg2* ) (segid B and resid 43  and name ha )   4.50 4.50 1.00  !   
assign (segid B and resid 41  and name hg2* ) (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !     
!assign (segid B and resid 41  and name hg2* ) (segid B and resid 43  and name hd1 )  3.50 3.50 0.50  !   
!
! Sequential
!
assign (segid B and resid  2  and name hb* )  (segid B and resid  3  and name hn )   4.00 4.00 1.00  !
assign (segid B and resid  3  and name hg* )  (segid B and resid  4  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid  3  and name hn )   (segid B and resid  4  and name hg2*)  4.00 4.00 1.00  !   
assign (segid B and resid  4  and name hg2* ) (segid B and resid  5  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid  6  and name hg2*)  (segid B and resid  7  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid  6  and name hg2*)  (segid B and resid  7  and name ha )   4.50 4.50 1.00  !
assign (segid B and resid  8  and name hn )   (segid B and resid  9  and name hg2*)  4.50 4.50 1.00  !      
assign (segid B and resid  8  and name hg2* ) (segid B and resid  9  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid  9  and name hg1*)  (segid B and resid 10  and name hn )   3.50 3.50 0.50  !  
assign (segid B and resid  9  and name hg2*)  (segid B and resid 10  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 10  and name hb*)   (segid B and resid 11  and name ha)    4.00 4.00 1.00  ! 
assign (segid B and resid 21  and name hn )   (segid B and resid 22  and name hg2* ) 4.00 4.00 1.00  !      
assign (segid B and resid 22  and name hg2*)  (segid B and resid 23  and name hn)    4.50 4.50 1.00  ! ?
assign (segid B and resid 22  and name hg2*)  (segid B and resid 23  and name ha)    4.00 4.00 1.00  ! 
assign (segid B and resid 37  and name hg2* ) (segid B and resid 38  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 37  and name hn )   (segid B and resid 38  and name hg2* ) 4.50 4.50 1.00  !     
assign (segid B and resid 38  and name hg1* ) (segid B and resid 39  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 38  and name hg2* ) (segid B and resid 39  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 41  and name hg1*)  (segid B and resid 42  and name hd1)   4.00 4.00 1.00  !
assign (segid B and resid 41  and name hg2*)  (segid B and resid 42  and name hd1)   4.00 4.00 1.00  !
assign (segid B and resid 49  and name ha)    (segid B and resid 50 and name hg1*)   4.00 4.00 1.00  !   
assign (segid B and resid 49  and name hg2* ) (segid B and resid 50  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 50  and name hg2*)  (segid B and resid 51  and name hn )   4.00 4.00 1.00  !      
!
!
! Other protons requiring r^6 sum averaging
!
! Long range
!
assign (segid B and resid 3   and name hg*)   (segid B and resid 51  and name ha )   4.00 4.00 1.00  !   
assign (segid B and resid 6   and name hn )   (segid B and resid 48  and name hb*)   4.00 4.00 1.00  !
assign (segid B and resid 6   and name ha )   (segid B and resid 48  and name hd2* ) 4.50 4.50 1.00  !  
assign (segid B and resid 8   and name ha )   (segid B and resid 48  and name hd2* ) 4.50 4.50 1.00  !
assign (segid B and resid 8   and name hn )   (segid B and resid 48  and name hd2*)  4.50 4.50 1.00  !    
assign (segid B and resid 9   and name hg2* ) (segid B and resid 48  and name hb* )  4.50 4.50 1.00  !     
assign (segid B and resid 9   and name ha )   (segid B and resid 48  and name hd2* ) 4.50 4.50 1.00  !      
assign (segid B and resid 10  and name hn )   (segid B and resid 48  and name hd2*)  4.50 4.50 1.00  !    
assign (segid B and resid 14  and name hb1)   (segid B and resid 42  and name hg* )  3.50 3.50 0.50  !     
assign (segid B and resid 14  and name hb2)   (segid B and resid 42  and name hg* )  3.50 3.50 0.50  !     
assign (segid B and resid 14  and name hd1)   (segid B and resid 42  and name hg* )  4.00 4.00 1.00  !     
assign (segid B and resid 14  and name hd2)   (segid B and resid 42  and name hg* )  4.00 4.00 1.00  ! 
assign (segid B and resid 14  and name hh1*)  (segid B and resid 35  and name hb2)   4.50 4.50 1.00  !  
assign (segid B and resid 15  and name hb* )  (segid B and resid 46  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 16  and name hn )   (segid B and resid 42  and name hg* )  4.50 4.50 1.00  !    
assign (segid B and resid 16  and name hd2*)  (segid B and resid 43  and name hn )   4.50 4.50 1.00  !  
assign (segid B and resid 18  and name ha*)   (segid B and resid 44 and name hb1)    3.50 3.50 0.50  !  
assign (segid B and resid 24  and name hg*)   (segid B and resid 34  and name hz)    4.50 4.50 1.00  !     
assign (segid B and resid 32  and name ha )   (segid B and resid 47  and name hd*)   4.00 4.00 1.00  !    
assign (segid B and resid 33  and name hn )   (segid B and resid 47  and name hd* )  4.00 4.00 1.00  !  
!
! Medium range
!
assign (segid B and resid 10  and name hb*)   (segid B and resid 12  and name hg* )  4.50 4.50 1.00  !     
assign (segid B and resid 13  and name ha)    (segid B and resid 15  and name he2* ) 4.50 4.50 1.00  !     
assign (segid B and resid 16  and name hd2* ) (segid B and resid 18  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 16  and name hd2* ) (segid B and resid 19  and name ha )   4.00 4.00 1.00  !    
assign (segid B and resid 22  and name hn )   (segid B and resid 26  and name hb*)   4.50 4.50 1.00  !    
assign (segid B and resid 23  and name hn )   (segid B and resid 26  and name hg*)   3.50 3.50 0.50  !      
assign (segid B and resid 23  and name hg1)   (segid B and resid 26  and name hg*)   3.50 3.50 0.50  !    
assign (segid B and resid 25  and name ha )   (segid B and resid 28  and name hb*)   3.50 3.50 0.50  !     
assign (segid B and resid 25  and name hb*)   (segid B and resid 29  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 26  and name ha )   (segid B and resid 29  and name hd22 ) 4.50 4.50 1.00  !      
assign (segid B and resid 26  and name ha )   (segid B and resid 29  and name hb*)   4.00 4.00 1.00  !     
assign (segid B and resid 28  and name hn )   (segid B and resid 30  and name hb*)   4.50 4.50 1.00  !  
assign (segid B and resid 29  and name hb* )  (segid B and resid 31  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 30  and name hg* )  (segid B and resid 32  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 39  and name hb* )  (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !       
assign (segid B and resid 39  and name hg* )  (segid B and resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (segid B and resid 39  and name hd* )  (segid B and resid 43  and name hz2 )  4.00 4.00 1.00  !   
assign (segid B and resid 42  and name hg*)   (segid B and resid 45  and name hb1 )  4.00 4.00 1.00  !     
assign (segid B and resid 48  and name hb* )  (segid B and resid 50  and name hn )   4.50 4.50 1.00  !  
!
! Sequential
!
assign (segid B and resid  1  and name hb*)   (segid B and resid  2  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid  5  and name hg* )  (segid B and resid  6  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 10  and name hn)    (segid B and resid 11  and name hd*)   4.50 4.50 1.00  ! 
assign (segid B and resid 10  and name hb*)   (segid B and resid 11  and name hd*)   4.00 4.00 1.00  ! 
assign (segid B and resid 10  and name ha)    (segid B and resid 11  and name hd*)   2.30 2.30 0.50  !   
assign (segid B and resid 11  and name hb* )  (segid B and resid 12  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 11  and name hg* )  (segid B and resid 12  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid 11  and name hd* )  (segid B and resid 12  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 15  and name hb* )  (segid B and resid 16  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 15  and name hg* )  (segid B and resid 16  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 17  and name hn )   (segid B and resid 18  and name ha* )  4.50 4.50 1.00  !     
assign (segid B and resid 20  and name hd* )   (segid B and resid 21 and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 23  and name ha)    (segid B and resid 24  and name hb*)   4.50 4.50 1.00  !    
assign (segid B and resid 23  and name ha)    (segid B and resid 24  and name hd*)   3.50 3.50 0.50  ! 
assign (segid B and resid 23  and name hg2*)  (segid B and resid 24  and name hg*)   4.50 4.50 1.00  ! 
assign (segid B and resid 23  and name hb)    (segid B and resid 24  and name hd*)   3.50 3.50 0.50  !  
assign (segid B and resid 24  and name hb* )  (segid B and resid 25  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 25  and name hn )   (segid B and resid 26  and name hg* )  4.00 4.00 1.00  !   
assign (segid B and resid 25  and name hb* )  (segid B and resid 26  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 26  and name hg* )  (segid B and resid 27  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 27  and name hn )   (segid B and resid 28  and name hb* )  4.50 4.50 1.00  !    
assign (segid B and resid 28  and name hb* )  (segid B and resid 29  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 30  and name hg* )  (segid B and resid 31  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 39  and name ha )   (segid B and resid 40  and name ha* )  4.50 4.50 1.00  !    
assign (segid B and resid 39  and name hb* )  (segid B and resid 40  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 39  and name hg* )  (segid B and resid 40  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 40  and name ha* )  (segid B and resid 41  and name hn )   3.50 3.50 0.50  !   
assign (segid B and resid 40  and name ha* )  (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !     
assign (segid B and resid 40  and name ha* )  (segid B and resid 41  and name hg2*)  4.50 4.50 1.00  !      
assign (segid B and resid 47  and name hb2 )  (segid B and resid 48  and name hd* )  4.50 4.50 1.00  !  
assign (segid B and resid 46  and name hn )   (segid B and resid 47  and name hd* )  4.50 4.50 1.00  !      
assign (segid B and resid 48  and name hb* )  (segid B and resid 49  and name hn )   3.50 3.50 0.50  !      
assign (segid B and resid 52  and name hn )   (segid B and resid 53  and name hd*)   4.50 4.50 1.00  !    
assign (segid B and resid 52  and name ha )   (segid B and resid 53  and name hd*)   2.70 2.70 0.50  !     
assign (segid B and resid 52  and name hg1* ) (segid B and resid 53  and name hd*)   4.50 4.50 1.00  !    
assign (segid B and resid 52  and name hg2* ) (segid B and resid 53  and name hd*)   4.50 4.50 1.00  !   
assign (segid B and resid 53  and name ha )   (segid B and resid 54  and name hd*)   3.50 3.50 0.50  !    
assign (segid B and resid 54  and name hd* )  (segid B and resid 55  and name hn )   4.50 4.50 1.00  !      
!
! Intra-segid B and residue
!
assign (segid B and resid 3   and name hn )   (segid B and resid 3   and name hg* )  4.00 4.00 1.00  !      
assign (segid B and resid 3   and name ha )   (segid B and resid 3   and name hg* )  3.50 3.50 0.50  !     
assign (segid B and resid 4   and name hn )   (segid B and resid 4   and name hg2* ) 4.00 4.00 1.00  !     
assign (segid B and resid 6   and name hn )   (segid B and resid 6   and name hg2* ) 3.50 3.50 0.50  !      
assign (segid B and resid 8   and name hn )   (segid B and resid 8   and name hg2* ) 3.50 3.50 0.50  !   
assign (segid B and resid 9   and name hn )   (segid B and resid 9   and name hg1* ) 4.50 4.50 1.00  !     
assign (segid B and resid 9   and name hn )   (segid B and resid 9   and name hg2* ) 2.70 2.70 0.50  !    
assign (segid B and resid 10  and name hn )   (segid B and resid 10  and name hb* )  3.50 3.50 0.50  !    
assign (segid B and resid 12  and name hn )   (segid B and resid 12  and name hg* )  2.70 2.70 0.50  !    
assign (segid B and resid 12  and name hn )   (segid B and resid 12  and name hd* )  4.50 4.50 1.00  !     
assign (segid B and resid 15  and name hn )   (segid B and resid 15  and name hb* )  4.00 4.00 1.00  !     
assign (segid B and resid 15  and name hn )   (segid B and resid 15  and name hg* )  4.00 4.00 1.00  !     
assign (segid B and resid 15  and name he22 ) (segid B and resid 15  and name hb* )  4.50 4.50 1.00  !     
assign (segid B and resid 16  and name hn )   (segid B and resid 16  and name hd2* ) 4.50 4.50 1.00  !     
assign (segid B and resid 22  and name hn )   (segid B and resid 22  and name hg2* ) 3.50 3.50 0.50  !     
assign (segid B and resid 23  and name hn )   (segid B and resid 23  and name hg2* ) 3.50 3.50 0.50  !      
assign (segid B and resid 25  and name hn )   (segid B and resid 25  and name hb* )  2.70 2.70 0.50  !     
assign (segid B and resid 26  and name hn )   (segid B and resid 26  and name hg* )  2.70 2.70 0.50  !      
assign (segid B and resid 28  and name hn )   (segid B and resid 28  and name hb* )  2.70 2.70 0.50  !     
assign (segid B and resid 29  and name hd2* ) (segid B and resid 29  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 29  and name hd2* ) (segid B and resid 29  and name ha )   4.50 4.50 1.00  !      
assign (segid B and resid 30  and name hn )   (segid B and resid 30  and name hb* )  2.70 2.70 0.50  !     
assign (segid B and resid 30  and name hn )   (segid B and resid 30  and name hg* )  4.00 4.00 1.00  !     
assign (segid B and resid 37  and name hn )   (segid B and resid 37  and name hg2* ) 2.70 2.70 0.50  !   
assign (segid B and resid 38  and name hn )   (segid B and resid 38  and name hg1* ) 4.00 4.00 1.00  !      
assign (segid B and resid 38  and name hn )   (segid B and resid 38  and name hg2* ) 2.70 2.70 0.50  !   
assign (segid B and resid 39  and name hn )   (segid B and resid 39  and name hb* )  2.70 2.70 0.50  !    
assign (segid B and resid 39  and name hn )   (segid B and resid 39  and name hg* )  3.50 3.50 0.50  !      
assign (segid B and resid 41  and name hn )   (segid B and resid 41  and name hg1* ) 2.70 2.70 0.50  !     
assign (segid B and resid 41  and name hn )   (segid B and resid 41  and name hg2* ) 2.70 2.70 0.50  !    
assign (segid B and resid 48  and name hn )   (segid B and resid 48  and name hb* )  3.50 3.50 0.50  !     
assign (segid B and resid 49  and name hn )   (segid B and resid 49  and name hg2* ) 3.50 3.50 0.50  !      
assign (segid B and resid 52  and name hn )   (segid B and resid 52  and name hg2* ) 2.70 2.70 0.50  !      
!
!
! NOEs 
!
!Long-range NOEs
!
assign (segid B and resid 3   and name ha )   (segid B and resid 51  and name ha )   4.00 4.00 1.00  !    
assign (segid B and resid 3   and name ha )   (segid B and resid  51  and name hn )  4.50 4.50 1.00  !        
assign (segid B and resid 3   and name ha )   (segid B and resid  52  and name hn )  4.50 4.50 1.00  !        
assign (segid B and resid 4   and name hn )   (segid B and resid 50  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 4   and name hn )   (segid B and resid 50  and name ha )   4.00 4.00 1.00  !   
assign (segid B and resid 4   and name hn )   (segid B and resid 50  and name hg11)  4.50 4.50 1.00  !   
assign (segid B and resid 5   and name ha )   (segid B and resid 49  and name ha )   3.50 3.50 0.50  !   
assign (segid B and resid 5   and name ha )   (segid B and resid 50  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 6   and name hn )   (segid B and resid 48  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 6   and name ha )   (segid B and resid 48  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 6   and name hb )   (segid B and resid 48  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 7   and name hn )   (segid B and resid 48  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 7   and name ha)    (segid B and resid 33  and name hb1)   4.00 4.00 1.00  !   
assign (segid B and resid 7   and name ha)    (segid B and resid 45  and name hz )   4.00 4.00 1.00  !  
assign (segid B and resid 7   and name hb1)   (segid B and resid 45  and name hz )   3.50 3.50 0.50  !  
assign (segid B and resid 7   and name ha)    (segid B and resid 47  and name ha )   3.50 3.50 0.50  !  
assign (segid B and resid 7   and name ha)    (segid B and resid 47  and name hb1)   4.00 4.00 1.00  !  
assign (segid B and resid 7   and name ha )   (segid B and resid 48  and name hn )   4.00 4.00 1.00  !         
assign (segid B and resid 7   and name hb1)   (segid B and resid 34  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid 7   and name hb2)   (segid B and resid 34  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid 9   and name hn )   (segid B and resid 14  and name hg2)   4.50 4.50 1.00  !   
assign (segid B and resid 9   and name hn )   (segid B and resid 14  and name he )   4.50 4.50 1.00  !   
assign (segid B and resid 9   and name hb )   (segid B and resid 14  and name hg2)   4.00 4.00 1.00  !     
assign (segid B and resid 9   and name hb )   (segid B and resid 45  and name hz)    4.50 4.50 1.00  !     
assign (segid B and resid 14  and name hb1)   (segid B and resid 42  and name hd2)   4.50 4.50 1.00  !
assign (segid B and resid 14  and name hb2)   (segid B and resid 42  and name hd2)   3.50 3.50 0.50  !
assign (segid B and resid 14  and name hb1 )  (segid B and resid 45  and name ha )   4.50 4.50 1.00  !     
assign (segid B and resid 14  and name hb1 )  (segid B and resid 46  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 15  and name hn )   (segid B and resid 45  and name ha )   4.50 4.50 1.00  !     
assign (segid B and resid 15  and name hn )   (segid B and resid 45  and name hb2)   4.00 4.00 1.00  !     
assign (segid B and resid 15  and name hn )   (segid B and resid 46  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 15  and name hn )   (segid B and resid 46  and name hb2 )  4.50 4.50 1.00  !   
assign (segid B and resid 15  and name ha )   (segid B and resid 46  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 16  and name hn)    (segid B and resid 45  and name ha )   4.50 4.50 1.00  !
assign (segid B and resid 16  and name ha)    (segid B and resid 45  and name ha )   3.50 3.50 0.50  ! 
!assign (segid B and resid 16  and name ha )   (segid B and resid 43  and name hn )   4.50 4.50 1.00  !  
assign (segid B and resid 17  and name hn )   (segid B and resid 42  and name hb1 )  4.50 4.50 1.00  !   
assign (segid B and resid 17  and name hn )   (segid B and resid 42  and name hb2 )  4.00 4.00 1.00  !   
assign (segid B and resid 17  and name hn )   (segid B and resid 45  and name ha )   2.70 2.70 0.50  !   
assign (segid B and resid 17  and name ha )   (segid B and resid 45  and name ha )   3.50 3.50 0.50  !    
assign (segid B and resid 17  and name hn )   (segid B and resid 45  and name hb2)   4.00 4.00 1.00  !
assign (segid B and resid 17  and name hn )   (segid B and resid 46  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 17  and name hb2)   (segid B and resid 33  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 17  and name hb2 )  (segid B and resid 45  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 17  and name hb2 )  (segid B and resid 45  and name ha )   2.70 2.70 0.50  !   
assign (segid B and resid 17  and name ha )   (segid B and resid 46  and name hn )   4.00 4.00 1.00  !
assign (segid B and resid 17  and name hb2 )  (segid B and resid 46  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 18  and name ha1 )  (segid B and resid 44  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid 18  and name hn )   (segid B and resid 42 and name hb2)    4.50 4.50 1.00  !    
assign (segid B and resid 18  and name hn )   (segid B and resid 44  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 18  and name hn )   (segid B and resid 45  and name ha )   4.00 4.00 1.00  !      
assign (segid B and resid 18  and name ha1)   (segid B and resid 44  and name hb1)   3.50 3.50 0.50  !      
assign (segid B and resid 19  and name hn )   (segid B and resid 44  and name hb1)   4.00 4.00 1.00  !  
assign (segid B and resid 19  and name hz )   (segid B and resid 26  and name hb1)   4.50 4.50 1.00  !     
assign (segid B and resid 19  and name hz )   (segid B and resid 26  and name he22)  4.00 4.00 1.00  !      
assign (segid B and resid 19  and name hz )   (segid B and resid 26  and name he21)  4.00 4.00 1.00  !     
assign (segid B and resid 22  and name hn )   (segid B and resid 44  and name hb1)   4.50 4.50 1.00  !      
assign (segid B and resid 24  and name hd1)   (segid B and resid 34  and name hz)    4.00 4.00 1.00  !    
assign (segid B and resid 27  and name hb1 )  (segid B and resid 34  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 27  and name hn )   (segid B and resid 44 and name hb2 )   4.50 4.50 1.00  !    
assign (segid B and resid 28  and name hn )   (segid B and resid 34 and name hb2 )   4.50 4.50 1.00  !      
assign (segid B and resid 32  and name ha )   (segid B and resid 45  and name hn )   4.50 4.50 1.00  !  
assign (segid B and resid 32  and name ha )   (segid B and resid 46  and name ha )   3.50 3.50 0.50  !  
assign (segid B and resid 33  and name hn )   (segid B and resid 44  and name ha )   4.50 4.50 1.00  !     
assign (segid B and resid 33  and name hn )   (segid B and resid 45  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 33  and name hb2 )  (segid B and resid 45  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid 33  and name hb1 )  (segid B and resid 45  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 33  and name hb1)   (segid B and resid 45  and name hz )   3.50 3.50 0.50  !    
assign (segid B and resid 33  and name hb2)   (segid B and resid 45  and name hz )   3.50 3.50 0.50  !    
assign (segid B and resid 33  and name hb2 )  (segid B and resid 46  and name ha )   4.50 4.50 1.00  !  
assign (segid B and resid 34  and name hn)    (segid B and resid 44  and name ha)    4.50 4.50 1.00  !  
assign (segid B and resid 34  and name hn )   (segid B and resid 45  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 34  and name ha )   (segid B and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 34  and name ha)    (segid B and resid 44  and name ha)    2.30 2.30 0.50  !
assign (segid B and resid 34  and name ha)    (segid B and resid 43  and name ha)    4.50 4.50 1.00  !
assign (segid B and resid 34  and name hz)    (segid B and resid 43  and name he3)   2.70 2.70 0.50  !  
assign (segid B and resid 34  and name hz)    (segid B and resid 43  and name hb1)   4.00 4.00 1.00  !  
assign (segid B and resid 34  and name hz)    (segid B and resid 43  and name hb2)   4.00 4.00 1.00  !  
assign (segid B and resid 34  and name hb1)   (segid B and resid 44  and name ha)    4.50 4.50 1.00  ! 
assign (segid B and resid 35  and name hn )   (segid B and resid 44  and name ha )   4.00 4.00 1.00  !     
assign (segid B and resid 35  and name hn )   (segid B and resid 43  and name ha )   3.50 3.50 0.50  !    
assign (segid B and resid 35  and name hn )   (segid B and resid 43  and name hb1 )  4.00 4.00 1.00  !     
assign (segid B and resid 35  and name hn )   (segid B and resid 43  and name hd1 )  4.50 4.50 1.00  ! 
assign (segid B and resid 35  and name hn )   (segid B and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 35  and name hb2)   (segid B and resid 45  and name hz )   3.50 3.50 0.50  !  
assign (segid B and resid 36  and name ha )   (segid B and resid 43  and name he3 )  4.00 4.00 1.00  !     
assign (segid B and resid 36  and name hb2)   (segid B and resid 43  and name he3 )  4.00 4.00 1.00  !         
assign (segid B and resid 36  and name hb2)   (segid B and resid 43  and name he3 )  4.50 4.50 1.00  !           
assign (segid B and resid 36  and name ha)    (segid B and resid 43  and name he1 )  4.00 4.00 1.00  !   
assign (segid B and resid 37  and name hn)    (segid B and resid 43  and name hd1 )  4.50 4.50 1.00  !  
!
! Long-range NOEs unambiguously absent from spectra
!
assign (segid B and resid 4   and name hn )   (segid B and resid 50  and name hb )   4.00 0.00 30.00 !  
assign (segid B and resid 5   and name hn )   (segid B and resid 50  and name hb )   4.00 0.00 30.00 !
assign (segid B and resid 7   and name hn)    (segid B and resid 48  and name ha)    4.00 0.00 30.00 !
assign (segid B and resid 17  and name hn )   (segid B and resid 44  and name hn )   4.00 0.00 30.00 !      
!
! Medium-range NOEs
!
assign (segid B and resid  6  and name ha )   (segid B and resid  8  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid  7  and name ha)    (segid B and resid  9  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid  7  and name hb1)   (segid B and resid  9  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid  7  and name hb2)   (segid B and resid  9  and name hn)    4.50 4.50 1.00  !  
assign (segid B and resid 10  and name ha)    (segid B and resid 12  and name hn)    4.50 4.50 1.00  ! 
assign (segid B and resid 10  and name hn )   (segid B and resid 13  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 10  and name hn )   (segid B and resid 13  and name hb1)   4.00 4.00 1.00  !      
assign (segid B and resid 10  and name hn )   (segid B and resid 13  and name hb2)   4.00 4.00 1.00  !     
assign (segid B and resid 11  and name ha )   (segid B and resid 13  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 11  and name ha )   (segid B and resid 14  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 11  and name ha )   (segid B and resid 14  and name hd2)   2.70 2.70 0.50  !  
assign (segid B and resid 11  and name ha )   (segid B and resid 14  and name he )   4.00 4.00 1.00  !    
assign (segid B and resid 12  and name hn )   (segid B and resid 14  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 12  and name ha )   (segid B and resid 14  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 19  and name hn )   (segid B and resid 22  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 19  and name hb1)   (segid B and resid 22  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 22  and name hb)    (segid B and resid 27  and name hn )   3.50 3.50 0.50  !   
assign (segid B and resid 22  and name hb)    (segid B and resid 26  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 23  and name hn )   (segid B and resid 26  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 23  and name hn )   (segid B and resid 26  and name hb2 )  2.70 2.70 0.50  !   
assign (segid B and resid 23  and name hn )   (segid B and resid 26  and name hb1 )  3.50 3.50 0.50  !     
assign (segid B and resid 23  and name hn )   (segid B and resid 27  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 23  and name hn )   (segid B and resid 27  and name hb2)   4.00 4.00 1.00  !   
assign (segid B and resid 23  and name hg1 )  (segid B and resid 26  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 25  and name hn )   (segid B and resid 27  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 25  and name hn )   (segid B and resid 28  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 25  and name ha )   (segid B and resid 28  and name hn )   3.50 3.50 0.50  !      
assign (segid B and resid 25  and name ha )   (segid B and resid 29  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 26  and name hn )   (segid B and resid 28  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 26  and name ha )   (segid B and resid 29  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 26  and name ha )   (segid B and resid 30  and name hn )   4.50 4.50 1.00  !    
assign (segid B and resid 27  and name ha )   (segid B and resid 30  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 27  and name ha )   (segid B and resid 31  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 27  and name ha )   (segid B and resid 32  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 27  and name hb1 )  (segid B and resid 29  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 28  and name hn )   (segid B and resid 30  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 28  and name ha )   (segid B and resid 30  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 28  and name ha )   (segid B and resid 31  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 28  and name ha )   (segid B and resid 32  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 29  and name ha )   (segid B and resid 31  and name hn )   4.00 4.00 1.00  !     
!assign (segid B and resid 29  and name hd22)  (segid B and resid 31  and name ha2)   4.50 4.50 1.00  !      
assign (segid B and resid 29  and name hn )   (segid B and resid 31  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 34  and name hz )   (segid B and resid 36  and name hb1)   3.50 3.50 0.50  !     
assign (segid B and resid 34  and name hz )   (segid B and resid 36  and name hb2)   4.50 4.50 1.00  !     
assign (segid B and resid 35  and name ha )   (segid B and resid 37  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 36  and name ha )   (segid B and resid 38  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 38  and name hb)    (segid B and resid 41  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 38  and name hn)    (segid B and resid 41  and name hd1 )   4.50 4.50 1.00  !  
assign (segid B and resid 38  and name hn )   (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !       
assign (segid B and resid 39  and name hn )   (segid B and resid 41  and name hn )   4.50 4.50 1.00  !   
assign (segid B and resid 39  and name ha )   (segid B and resid 41  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 39  and name ha )   (segid B and resid 43  and name he1 )  2.70 2.70 0.50  !     
assign (segid B and resid 39  and name hn )   (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !  
assign (segid B and resid 39  and name ha )   (segid B and resid 43  and name hz2 )  3.50 3.50 0.50  !     
assign (segid B and resid 40  and name hn )   (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !       
assign (segid B and resid 41  and name hn )   (segid B and resid 43  and name he1 )  4.50 4.50 1.00  !      
assign (segid B and resid 42  and name ha )   (segid B and resid 44  and name hn )   4.00 4.00 1.00  !  
assign (segid B and resid 42  and name hb2)   (segid B and resid 44  and name hn )   4.00 4.00 1.00  !  
assign (segid B and resid 42  and name hb2)   (segid B and resid 45  and name ha )   4.50 4.50 1.00  !  
assign (segid B and resid 47  and name hb2 )  (segid B and resid 49  and name hn )   4.50 4.50 1.00  !   
!
!
! Sequential NOEs
!
assign (segid B and resid  1  and name ha)    (segid B and resid  2  and name hn)    3.50 3.50 0.50  !  
assign (segid B and resid  2  and name ha )   (segid B and resid  3  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid  3  and name ha )   (segid B and resid  4  and name hn )   2.70 2.70 0.50  !       
assign (segid B and resid  3  and name hb1 )  (segid B and resid  4  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid  3  and name hb2 )  (segid B and resid  4  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid  4  and name hn)    (segid B and resid  5  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid  4  and name hb )   (segid B and resid  5  and name hn )   2.70 2.70 0.50  !      
assign (segid B and resid  5  and name ha )   (segid B and resid  6  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid  5  and name hb2 )  (segid B and resid  6  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid  5  and name hb1 )  (segid B and resid  6  and name hn )   3.50 3.50 0.50  !   
assign (segid B and resid  5  and name hn )   (segid B and resid  6  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid  6  and name hn )   (segid B and resid  7  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid  6  and name ha )   (segid B and resid  7  and name hn )   2.70 2.70 0.50  !      
assign (segid B and resid  6  and name hb )   (segid B and resid  7  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid  7  and name ha )   (segid B and resid  8  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid  7  and name hn )   (segid B and resid  8  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid  7  and name hb2 )  (segid B and resid  8  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid  8  and name hn )   (segid B and resid  9  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid  8  and name ha )   (segid B and resid  9  and name hn )   2.70 2.70 0.50  !      
assign (segid B and resid  9  and name hn )   (segid B and resid 10  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid  9  and name ha)    (segid B and resid 10  and name hn )   2.30 2.30 0.50  !  
assign (segid B and resid  9  and name hb )   (segid B and resid 10  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 10  and name ha)    (segid B and resid 11  and name ha)    4.00 4.00 1.00  ! 
assign (segid B and resid 11  and name ha )   (segid B and resid 12  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 12  and name hn )   (segid B and resid 13  and name hn )   2.70 2.70 0.50  !   
assign (segid B and resid 12  and name ha )   (segid B and resid 13  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 13  and name hn )   (segid B and resid 14  and name hb2 )  4.50 4.50 1.00  !     
assign (segid B and resid 13  and name hn )   (segid B and resid 14  and name hg1 )  4.00 4.00 1.00  !     
assign (segid B and resid 13  and name hn )   (segid B and resid 14  and name hn )   2.70 2.70 0.50  !      
assign (segid B and resid 13  and name hn )   (segid B and resid 14  and name he )   4.50 4.50 1.00  !       
assign (segid B and resid 13  and name ha )   (segid B and resid 14  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 13  and name hb2 )  (segid B and resid 14  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 14  and name hn )   (segid B and resid 15  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 14  and name ha )   (segid B and resid 15  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 14  and name hb2 )  (segid B and resid 15  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 14  and name hb1 )  (segid B and resid 15  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 14  and name hg1 )  (segid B and resid 15  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 15  and name ha )   (segid B and resid 16  and name hn )   2.30 2.30 0.50  !   
assign (segid B and resid 16  and name hn )   (segid B and resid 17  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 16  and name ha)    (segid B and resid 17  and name hn)    3.50 3.50 0.50  !  
assign (segid B and resid 16  and name hb2)   (segid B and resid 17  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 17  and name hn )   (segid B and resid 18  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 17  and name ha )   (segid B and resid 18  and name hn )   2.70 2.70 0.50  ! 
assign (segid B and resid 17  and name hb2 )  (segid B and resid 18  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 18  and name hn )   (segid B and resid 19  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 18  and name ha1)   (segid B and resid 19  and name hn )   2.70 2.70 0.50  !      
assign (segid B and resid 19  and name hn )   (segid B and resid 20  and name hd1)   4.50 4.50 1.00  !   
assign (segid B and resid 19  and name ha)    (segid B and resid 20  and name ha )   4.50 4.50 1.00  ! 
assign (segid B and resid 19  and name ha)    (segid B and resid 20  and name hd1)   2.30 2.30 0.50  ! 
assign (segid B and resid 19  and name ha)    (segid B and resid 20  and name hd2)   3.50 3.50 0.50  ! 
assign (segid B and resid 20  and name hb2 )  (segid B and resid 21  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 20  and name hb1 )  (segid B and resid 21  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 21  and name ha2 )  (segid B and resid 22  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 21  and name ha1 )  (segid B and resid 22  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 22  and name hn )   (segid B and resid 23  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 22  and name ha )   (segid B and resid 23  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 22  and name hb)    (segid B and resid 23  and name ha)    4.00 4.00 1.00  !  
assign (segid B and resid 24  and name hd2)   (segid B and resid 25  and name hn)    4.00 4.00 1.00  ! 
assign (segid B and resid 24  and name ha )   (segid B and resid 25  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid 25  and name hn )   (segid B and resid 26  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 25  and name ha )   (segid B and resid 26  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 26  and name hn )   (segid B and resid 27  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 26  and name hn )   (segid B and resid 27  and name hb2 )  4.50 4.50 1.00  !     
assign (segid B and resid 26  and name ha )   (segid B and resid 27  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 26  and name hb2 )  (segid B and resid 27  and name hn )   3.50 3.50 0.50  !    
assign (segid B and resid 26  and name hb1 )  (segid B and resid 27  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid 27  and name hn )   (segid B and resid 28  and name hn )   2.70 2.70 0.50  !    
assign (segid B and resid 27  and name ha )   (segid B and resid 28  and name hn )   4.00 4.00 1.00  !    
assign (segid B and resid 27  and name hb1 )  (segid B and resid 28  and name hn )   3.50 3.50 0.50  !    
assign (segid B and resid 27  and name hb2)   (segid B and resid 28  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 28  and name hn )   (segid B and resid 29  and name ha )   4.50 4.50 1.00  !     
assign (segid B and resid 28  and name ha )   (segid B and resid 29  and name hn )   3.50 3.50 0.50  !      
assign (segid B and resid 29  and name hn )   (segid B and resid 30  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 29  and name ha )   (segid B and resid 30  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 30  and name hn )   (segid B and resid 31  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 30  and name hn )   (segid B and resid 31  and name ha2)   4.00 4.00 1.00  !     
assign (segid B and resid 30  and name ha )   (segid B and resid 31  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 31  and name hn )   (segid B and resid 32  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 31  and name ha1 )  (segid B and resid 32  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 31  and name ha2 )  (segid B and resid 32  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 31  and name hn )   (segid B and resid 32  and name hb2 )  4.50 4.50 1.00  !     
assign (segid B and resid 32  and name hb2)   (segid B and resid 33  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 32  and name hn )   (segid B and resid 33  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 32  and name ha )   (segid B and resid 33  and name hn )   2.70 2.70 0.50  !  
assign (segid B and resid 32  and name hb1 )  (segid B and resid 33  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 33  and name ha )   (segid B and resid 34  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 33  and name ha)    (segid B and resid 34  and name ha)    4.50 4.50 1.00  !
assign (segid B and resid 33  and name hb2 )  (segid B and resid 34  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 33  and name hb1 )  (segid B and resid 34  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 34  and name hn )   (segid B and resid 35  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 34  and name ha )   (segid B and resid 35  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 34  and name ha)    (segid B and resid 35  and name ha)    4.50 4.50 1.00  !
assign (segid B and resid 34  and name hb2 )  (segid B and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 34  and name hb1 )  (segid B and resid 35  and name hn )   4.00 4.00 1.00  !   
assign (segid B and resid 35  and name hn )   (segid B and resid 36  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 35  and name ha )   (segid B and resid 36  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 35 and  name hb1)   (segid B and resid 36  and name hn )   4.00 4.00 1.00  ! 
assign (segid B and resid 36  and name ha )   (segid B and resid 37  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 37  and name hn )   (segid B and resid 38  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 37  and name hn )   (segid B and resid 38  and name hb )   4.50 4.50 1.00  !   
assign (segid B and resid 37  and name ha )   (segid B and resid 38  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 38  and name hn )   (segid B and resid 39  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 38  and name ha )   (segid B and resid 39  and name hn )   2.30 2.30 0.50  !    
assign (segid B and resid 39  and name hn )   (segid B and resid 40  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 39  and name hn )   (segid B and resid 40  and name ha1 )  4.50 4.50 1.00  !     
assign (segid B and resid 39  and name ha )   (segid B and resid 40  and name hn )   2.70 2.70 0.50  !    
assign (segid B and resid 40  and name hn )   (segid B and resid 41  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 41  and name ha)    (segid B and resid 42  and name ha )   4.00 4.00 1.00  !    
assign (segid B and resid 41  and name hn )   (segid B and resid 42  and name hd2 )  4.50 4.50 1.00  !      
assign (segid B and resid 41  and name ha)    (segid B and resid 42  and name hd1)   2.30 2.30 0.50  !
assign (segid B and resid 41  and name ha)    (segid B and resid 42  and name hd2)   3.50 3.50 0.50  ! 
assign (segid B and resid 42  and name ha )   (segid B and resid 43  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 42  and name hb2 )  (segid B and resid 43  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 43  and name hn )   (segid B and resid 44  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 43  and name ha )   (segid B and resid 44  and name hn )   3.50 3.50 0.50  !   
assign (segid B and resid 43  and name hn )   (segid B and resid 44  and name ha )   4.50 4.50 1.00  !     
assign (segid B and resid 43  and name hn )   (segid B and resid 44  and name hb1)   4.50 4.50 1.00  !     
assign (segid B and resid 43  and name hb2 )  (segid B and resid 44  and name hn )   4.00 4.00 1.00  !     
!assign (segid B and resid 43  and name hd1 )  (segid B and resid 44  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 44  and name hn )   (segid B and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 44  and name ha )   (segid B and resid 45  and name hn )   2.30 2.30 0.50  !      
assign (segid B and resid 44  and name ha )   (segid B and resid 45  and name ha )   4.00 4.00 1.00  !   
assign (segid B and resid 44  and name hb1 )  (segid B and resid 45  and name hn )   4.00 4.00 1.00  !     
assign (segid B and resid 45  and name hn )   (segid B and resid 46  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 46  and name ha )   (segid B and resid 47  and name hd2 )  3.50 3.50 0.50  !      
assign (segid B and resid 46  and name ha )   (segid B and resid 47  and name hd1 )  2.70 2.70 0.50  !      
assign (segid B and resid 47  and name ha )   (segid B and resid 48  and name hn )   2.30 2.30 0.50  !      
assign (segid B and resid 47  and name hb2 )  (segid B and resid 48  and name hn )   2.70 2.70 0.50  !      
assign (segid B and resid 47  and name hb1 )  (segid B and resid 48  and name hn )   3.50 3.50 0.50  !      
assign (segid B and resid 47  and name hb2 )  (segid B and resid 48  and name ha )   4.00 4.00 1.00  !   
assign (segid B and resid 48  and name hn )   (segid B and resid 49  and name hn )   4.00 4.00 1.00  !      
assign (segid B and resid 48  and name ha )   (segid B and resid 49  and name hn )   2.30 2.30 0.50  !   
assign (segid B and resid 48  and name ha )   (segid B and resid 49  and name ha )   4.50 4.50 1.00  !  
assign (segid B and resid 49  and name ha )   (segid B and resid 50  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 50  and name ha )   (segid B and resid 51  and name hn )   2.30 2.30 0.50  !     
assign (segid B and resid 50  and name hg11 ) (segid B and resid 51  and name hn )   4.50 4.50 1.00  !     
assign (segid B and resid 50  and name hg12 ) (segid B and resid 51  and name hn )   4.50 4.50 1.00  !      
assign (segid B and resid 50  and name hb )   (segid B and resid 51  and name hn )   3.50 3.50 0.50  !     
assign (segid B and resid 51  and name ha )   (segid B and resid 52  and name hn )   2.70 2.70 0.50  !     
assign (segid B and resid 51  and name hb2 )  (segid B and resid 52  and name hn )   4.00 4.00 1.00  !      
!
!Sequential NOEs unambiguously absent from spectra
!
assign (segid B and resid 8   and name hn)    (segid B and resid  9  and name ha)    4.00 0.00 30.00  !
assign (segid B and resid 19  and name hb1 )  (segid B and resid 21  and name hn )   4.00 0.00 30.00  !    
!
!Intrasegid B and residue NOEs
!
assign (segid B and resid 3   and name hn )   (segid B and resid 3   and name hb1 )  3.50 3.50 0.50  !    
assign (segid B and resid 3   and name hn )   (segid B and resid 3   and name hb2 )  2.70 2.70 0.50  !    
assign (segid B and resid 4   and name hn )   (segid B and resid 4   and name hb )   3.50 3.50 0.50  !      
assign (segid B and resid 5   and name hn )   (segid B and resid 5   and name hb2 )  3.50 3.50 0.50  !    
assign (segid B and resid 5   and name hn )   (segid B and resid 5   and name hb1 )  4.00 4.00 1.00  !     
assign (segid B and resid 5   and name hn )   (segid B and resid 5   and name hg1 )  4.00 4.00 1.00  !      
assign (segid B and resid 6   and name hn )   (segid B and resid 6   and name hb )   3.50 3.50 0.50  !     
assign (segid B and resid 7   and name hn )   (segid B and resid 7   and name hb1 )  4.00 4.00 1.00  !      
assign (segid B and resid 9   and name hn )   (segid B and resid 9   and name hb )   2.70 2.70 0.50  !      
assign (segid B and resid 10  and name hn )   (segid B and resid 10  and name ha )   2.70 2.70 0.50  !    
assign (segid B and resid 12  and name hn )   (segid B and resid 12  and name hb2 )  3.50 3.50 0.50  !      
assign (segid B and resid 12  and name hn )   (segid B and resid 12  and name hb1 )  3.50 3.50 0.50  !   
assign (segid B and resid 13  and name hn )   (segid B and resid 13  and name hb1 )  3.50 3.50 0.50  !      
assign (segid B and resid 13  and name hn )   (segid B and resid 13  and name hb2 )  4.00 4.00 1.00  !   
assign (segid B and resid 14  and name hn )   (segid B and resid 14  and name ha )   2.70 2.70 0.50  !      
assign (segid B and resid 14  and name hn )   (segid B and resid 14  and name hb2 )  2.70 2.70 0.50  !      
assign (segid B and resid 14  and name hn )   (segid B and resid 14  and name hb1 )  4.00 4.00 1.00  !      
assign (segid B and resid 14  and name hn )   (segid B and resid 14  and name hg2 )  4.00 4.00 1.00  !   
assign (segid B and resid 14  and name hn )   (segid B and resid 14  and name hg1 )  3.50 3.50 0.50  !     
assign (segid B and resid 14  and name hn )   (segid B and resid 14  and name hd2 )  4.50 4.50 1.00  !      
assign (segid B and resid 15  and name he22 ) (segid B and resid 15  and name hg1 )  4.50 4.50 1.00  !    
assign (segid B and resid 15  and name he21 ) (segid B and resid 15  and name hg2 )  4.50 4.50 1.00  !      
assign (segid B and resid 15  and name he21 ) (segid B and resid 15  and name hg1 )  4.50 4.50 1.00  !     
assign (segid B and resid 15  and name he22 ) (segid B and resid 15  and name hg2 )  4.50 4.50 1.00  !     
assign (segid B and resid 16  and name hn )   (segid B and resid 16  and name hb1 )  2.70 2.70 0.50  !      
assign (segid B and resid 16  and name hn )   (segid B and resid 16  and name hb2 )  2.30 2.30 0.50  !      
assign (segid B and resid 17  and name hn )   (segid B and resid 17  and name hb1)   2.30 2.30 0.50  !    
assign (segid B and resid 17  and name hn )   (segid B and resid 17  and name hb2)   4.00 4.00 1.00  !  
assign (segid B and resid 19  and name hn )   (segid B and resid 19  and name hb2 )  4.00 4.00 1.00  !     
assign (segid B and resid 21  and name hn )   (segid B and resid 21  and name ha1 )  2.30 2.30 0.50  !      
assign (segid B and resid 23  and name hn )   (segid B and resid 23  and name hb )   4.00 4.00 1.00  !     
assign (segid B and resid 26  and name hn )   (segid B and resid 26  and name hb2 )  2.70 2.70 0.50  !     
assign (segid B and resid 26  and name hn )   (segid B and resid 26  and name hb1 )  4.00 4.00 1.00  !     
assign (segid B and resid 27  and name hn )   (segid B and resid 27  and name ha )   2.70 2.70 0.50  !     
assign (segid B and resid 27  and name hn )   (segid B and resid 27  and name hb2 )  2.70 2.70 0.50  !     
assign (segid B and resid 27  and name hn )   (segid B and resid 27  and name hb1 )  2.70 2.70 0.50  !     
assign (segid B and resid 32  and name hn )   (segid B and resid 32  and name hb1 )  4.00 4.00 1.00  !      
assign (segid B and resid 32  and name hn )   (segid B and resid 32  and name hb2)   3.50 3.50 0.50  !     
assign (segid B and resid 33  and name hn )   (segid B and resid 33  and name hb2 )  2.70 2.70 0.50  !      
assign (segid B and resid 33  and name hn )   (segid B and resid 33  and name hb1 )  4.00 4.00 1.00  !      
assign (segid B and resid 34  and name hn )   (segid B and resid 34  and name hb2 )  2.70 2.70 0.50  !      
assign (segid B and resid 34  and name hn )   (segid B and resid 34  and name hb1 )  2.70 2.70 0.50  !     
assign (segid B and resid 35  and name hn )   (segid B and resid 35  and name hb2 )  3.50 3.50 0.50  !     
assign (segid B and resid 35  and name hn )   (segid B and resid 35  and name hb1 )  4.50 4.50 1.00  !      
assign (segid B and resid 36  and name hn )   (segid B and resid 36  and name hb2 )  4.00 4.00 1.00  !   
assign (segid B and resid 36  and name hn )   (segid B and resid 36  and name hb1 )  4.00 4.00 1.00  !   
assign (segid B and resid 37  and name hn )   (segid B and resid 37  and name hb )   3.50 3.50 0.50  !     
assign (segid B and resid 38  and name hn )   (segid B and resid 38  and name hb )   2.70 2.70 0.50  !     
assign (segid B and resid 41  and name hn )   (segid B and resid 41  and name hb )   3.50 3.50 0.50  !     
assign (segid B and resid 43  and name hn )   (segid B and resid 43  and name ha )   2.70 2.70 0.50  !      
assign (segid B and resid 43  and name hn )   (segid B and resid 43  and name hb2 )  3.50 3.50 0.50  !     
assign (segid B and resid 43  and name hn )   (segid B and resid 43  and name hb1 )  4.00 4.00 1.00  !     
!assign (segid B and resid 43  and name hn )   (segid B and resid 43  and name hd1 )  3.50 3.50 0.50  !      
assign (segid B and resid 43  and name he1 )  (segid B and resid 43  and name hb1 )  4.50 4.50 1.00  !      
assign (segid B and resid 43  and name hd1)   (segid B and resid 43  and name hb2 )  3.50 3.50 0.50  !  
assign (segid B and resid 43  and name hd1)   (segid B and resid 43  and name hb1 )  3.50 3.50 0.50  !  
assign (segid B and resid 43  and name he3)   (segid B and resid 43  and name ha )   4.50 4.50 1.00  !
assign (segid B and resid 43  and name he3)   (segid B and resid 43  and name hb2 )  4.00 4.00 1.00  !  
assign (segid B and resid 43  and name he3)   (segid B and resid 43  and name hb1 )  4.00 4.00 1.00  !  
assign (segid B and resid 44  and name hn )   (segid B and resid 44  and name hb2 )  3.50 3.50 0.50  !      
assign (segid B and resid 44  and name hn )   (segid B and resid 44  and name hb1 )  2.70 2.70 0.50  !      
assign (segid B and resid 45  and name hn )   (segid B and resid 45  and name hb2 )  3.50 3.50 0.50  !     
assign (segid B and resid 46  and name hn )   (segid B and resid 46  and name hb2 )  2.70 2.70 0.50  !      
assign (segid B and resid 46  and name hn )   (segid B and resid 46  and name hb1 )  4.00 4.00 1.00  !     
assign (segid B and resid 49  and name hn )   (segid B and resid 49  and name hb )   4.00 4.00 1.00  !      
assign (segid B and resid 50  and name hn )   (segid B and resid 50  and name hb )   2.70 2.70 0.50  !      
assign (segid B and resid 50  and name hn )   (segid B and resid 50  and name hg11 ) 3.50 3.50 0.50  !      
assign (segid B and resid 50  and name hn )   (segid B and resid 50  and name hg12 ) 4.00 4.00 1.00  !      
assign (segid B and resid 51  and name hn )   (segid B and resid 51  and name hb2 )  3.50 3.50 0.50  !      
assign (segid B and resid 52  and name hn )   (segid B and resid 52  and name ha )   2.70 2.70 0.50  !   
assign (segid B and resid 52  and name hn )   (segid B and resid 52  and name hb )   3.50 3.50 0.50  !   
!
! Ambigously assigned NOEs 
!
!
assign ((segid B and resid  3 or segid B and resid 49) and name ha )   (segid B and resid  5   and name hn )   4.50 4.50 1.00  !        
assign ((segid B and resid 3 or segid B and resid 5)   and name hb1 )  (segid B and resid 50  and name hn )   4.50 4.50 1.00  !  
assign ( segid B and resid 4   and name hn )   ((segid B and resid 2 and name hb*) or (segid B and resid 50  and name hg2*))  4.50 4.50 1.00  !  
assign  (segid B and resid 6   and name hn)    ((segid B and resid 8 or segid B and resid 50)  and name hn )     4.50 4.50 1.00  !    
assign ((segid B and resid 11  and name ha)  or (segid B and resid 42 and name hd2))   (segid B and resid 14  and name hg1)   3.50 3.50 0.50  !
assign ((segid B and resid 11  and name ha)  or (segid B and resid 42 and name hd2))   (segid B and resid 14  and name hg2)   4.00 4.00 1.00  !
assign ((segid B and resid 11  and name ha)  or (segid B and resid 42 and name hd2))   (segid B and resid 41  and name hg1*)  3.50 3.50 0.50  !
assign ((segid B and resid 11  and name ha)  or (segid B and resid 42 and name hd2))   (segid B and resid 41  and name hg2*)  3.50 3.50 0.50  !
assign ((segid B and resid 12  and name hg*) or (segid B and resid 14 and name hg1) )  (segid B and resid 41  and name hg1*)  4.50 4.50 1.00  !       
assign ((segid B and resid 16  or segid B and resid 44)  and name hb1)   (segid B and resid 17  and name hn )    4.00 4.00 1.00  !    
assign ((segid B and resid 16  or segid B and resid 44)  and name hb1)   (segid B and resid 18  and name hn )    4.00 4.00 1.00  !     
assign  (segid B and resid 18  and name hn)    ((segid B and resid 17 and name hb1) or (segid B and resid 44 and name hb2))   3.50 3.50 0.50  !    
assign ((segid B and resid 18  and name ha1) or (segid B and resid 19 and name hb1) )  (segid B and resid 19  and name hn )   2.70 2.70 0.50  !      
assign  (segid B and resid 18  and name ha*)    (segid B and resid 22 and (name hb or name hg1* ))   4.50 4.50 1.00  !  
assign  (segid B and resid 19  and name hn )    (segid B and resid 22 and (name hb or name hg1* ))   4.00 4.00 1.00  !   
assign  (segid B and resid 19  and name hd*)    (segid B and resid 22 and (name hb or name hg1* ))   3.50 3.50 0.50  !   
assign ((segid B and resid 19  or segid B and resid 34)  and name he*)    (segid B and resid 23  and name hn)    3.50 3.50 1.00  !   
assign  (segid B and resid 22  and (name hg1* or name hb))    (segid B and resid 23  and name hn )   4.00 4.00 1.00  !    
assign  (segid B and resid 22  and (name hb or name hg1*))    (segid B and resid 26  and name he21 ) 4.50 4.50 1.00  !      
assign  (segid B and resid 22  and (name hg1* or name hb))    (segid B and resid 44  and name hb1)   4.50 4.50 1.00  !   
assign  (segid B and resid 22  and (name hg1* or name hb))    (segid B and resid 44  and name hn)    4.50 4.50 1.00  !    
assign  (segid B and resid 22  and name hn )    (segid B and resid 22 and (name hb or name hg1*))    2.30 2.30 0.50  !   
assign  (segid B and resid 23  and name hn )    (segid B and resid 24 and (name hd2 or name hd1))    4.00 4.00 1.00  !    
assign  (segid B and resid 25  and name hn )    (segid B and resid 24 and (name hb1 or name hb2 ))   3.50 3.50 0.50  !      
assign  (segid B and resid 28  and (name hb1 or name hb2))    (segid B and resid 30  and name hn )   4.50 4.50 1.00  !     
assign  (segid B and resid 29  and name hn )    (segid B and resid 29 and (name hb2 or name hb1) )   2.70 2.70 0.50  !      
assign  (segid B and resid 29  and (name hb1 or name hb2))    (segid B and resid 30  and name hn )   2.70 2.70 0.50  !      
assign  (segid B and resid 30  and (name hb1 or name hb2))    (segid B and resid 31  and name hn )   4.00 4.00 1.00  !     
assign  (segid B and resid 30  and (name hb1 or name hb2))    (segid B and resid 32  and name hn )   4.00 4.00 1.00  !     
assign  (segid B and resid 29  and name hn )   ((segid B and resid 26 and  name hb1) or (segid B and resid 30 and name hb*)) 4.50 4.50 1.00  !
assign  ((segid B and resid 43 or segid B and resid 42)  and name hb1 )  (segid B and resid 44  and name hn )   4.00 4.00 1.00  !  
assign  (segid B and resid 45  and name hn )   ((segid B and resid 45 or   segid B and resid 17)  and name hb1 ) 3.50 3.50 0.50  !      
assign  (segid B and resid 50  and name hn )    (segid B and resid 50 and (name hg2* or name hd1*))  4.00 4.00 1.00  !   
assign  (segid B and resid 51  and name hn )   ((segid B and resid 52 and name hn) or   (segid B and resid 50 and name hn))  4.00 4.00 1.00  !      

class hbond

! NOEs representing H-bonds
! 
assign (segid A and resid  48 and name hn)    (segid A and resid   6 and name o)    2.00  0.30  0.30
assign (segid A and resid  48 and name n)     (segid A and resid   6 and name o)    3.00  0.30  0.30
assign (segid A and resid  17 and name hn )   (segid A and resid  44 and name o )   2.00  0.30  0.30
assign (segid A and resid  17 and name n )    (segid A and resid  44 and name o )   3.00  0.30  0.30
assign (segid A and resid  27 and name hn )   (segid A and resid  23 and name o )   2.00  0.30  0.30
assign (segid A and resid  27 and name n )    (segid A and resid  23 and name o )   3.00  0.30  0.30
assign (segid A and resid  28 and name hn )   (segid A and resid  24 and name o )   2.00  0.30  0.30
assign (segid A and resid  28 and name n )    (segid A and resid  24 and name o )   3.00  0.30  0.30
assign (segid A and resid  29 and name hn )   (segid A and resid  25 and name o )   2.00  0.30  0.30
assign (segid A and resid  29 and name n )    (segid A and resid  25 and name o )   3.00  0.30  0.30
assign (segid A and resid  33 and name hn )   (segid A and resid  45 and name o )   2.00  0.30  0.30
assign (segid A and resid  33 and name n )    (segid A and resid  45 and name o )   3.00  0.30  0.30
assign (segid A and resid  35 and name hn )   (segid A and resid  43 and name o )   2.00  0.30  0.30
assign (segid A and resid  35 and name n )    (segid A and resid  43 and name o )   3.00  0.30  0.30
assign (segid A and resid  45 and name hn )   (segid A and resid  33 and name o )   2.00  0.30  0.30
assign (segid A and resid  45 and name n )    (segid A and resid  33 and name o )   3.00  0.30  0.30
!
assign (segid B and resid  48 and name hn)    (segid B and resid   6 and name o)    2.00  0.30  0.30
assign (segid B and resid  48 and name n)     (segid B and resid   6 and name o)    3.00  0.30  0.30
assign (segid B and resid  17 and name hn )   (segid B and resid  44 and name o )   2.00  0.30  0.30
assign (segid B and resid  17 and name n )    (segid B and resid  44 and name o )   3.00  0.30  0.30
assign (segid B and resid  27 and name hn )   (segid B and resid  23 and name o )   2.00  0.30  0.30
assign (segid B and resid  27 and name n )    (segid B and resid  23 and name o )   3.00  0.30  0.30
assign (segid B and resid  28 and name hn )   (segid B and resid  24 and name o )   2.00  0.30  0.30
assign (segid B and resid  28 and name n )    (segid B and resid  24 and name o )   3.00  0.30  0.30
assign (segid B and resid  29 and name hn )   (segid B and resid  25 and name o )   2.00  0.30  0.30
assign (segid B and resid  29 and name n )    (segid B and resid  25 and name o )   3.00  0.30  0.30
assign (segid B and resid  33 and name hn )   (segid B and resid  45 and name o )   2.00  0.30  0.30
assign (segid B and resid  33 and name n )    (segid B and resid  45 and name o )   3.00  0.30  0.30
assign (segid B and resid  35 and name hn )   (segid B and resid  43 and name o )   2.00  0.30  0.30
assign (segid B and resid  35 and name n )    (segid B and resid  43 and name o )   3.00  0.30  0.30
assign (segid B and resid  45 and name hn )   (segid B and resid  33 and name o )   2.00  0.30  0.30
assign (segid B and resid  45 and name n )    (segid B and resid  33 and name o )   3.00  0.30  0.30

class dihed

! Dihedral constraints
!
! PHI angles
!
!  Ala-2
assign ( segid A and resid 1 and name c ) ( segid A and resid 2 and name n ) 
( segid A and resid 2 and name ca ) ( segid A and resid 2 and name c )   1.0   -120.0    50.0 2  
!  Gln-3
assign ( segid A and resid 2 and name c ) ( segid A and resid 3 and name n ) 
( segid A and resid 3 and name ca ) ( segid A and resid 3 and name c )   1.0   -120.0    40.0 2  
!  Thr-4
assign ( segid A and resid 3 and name c ) ( segid A and resid 4 and name n ) 
( segid A and resid 4 and name ca ) ( segid A and resid 4 and name c )   1.0   -120.0    50.0 2  
!  Glu-5
assign ( segid A and resid 4 and name c ) ( segid A and resid 5 and name n ) 
( segid A and resid 5 and name ca ) ( segid A and resid 5 and name c )   1.0    -80.0    30.0 2  
!  Thr-6
assign ( segid A and resid 5 and name c ) ( segid A and resid 6 and name n ) 
( segid A and resid 6 and name ca ) ( segid A and resid 6 and name c )   1.0   -120.0    30.0 2  
!  Cys-7
assign ( segid A and resid 6 and name c ) ( segid A and resid 7 and name n ) 
( segid A and resid 7 and name ca ) ( segid A and resid 7 and name c )   1.0   -120.0    40.0 2  
!  Thr-8 
assign ( segid A and resid 7 and name c ) ( segid A and resid 8 and name n ) 
( segid A and resid 8 and name ca ) ( segid A and resid 8 and name c )   1.0   -110.0    40.0 2  
!  Val-9 
assign ( segid A and resid 8 and name c ) ( segid A and resid 9 and name n ) 
( segid A and resid 9 and name ca ) ( segid A and resid 9 and name c )   1.0   -120.0    30.0 2  
! Ala-10
assign ( segid A and resid 9 and name c ) ( segid A and resid 10 and name n ) 
( segid A and resid 10 and name ca ) ( segid A and resid 10 and name c ) 1.0    -50.0    50.0 2  
! Arg-12
assign ( segid A and resid 11 and name c ) ( segid A and resid 12 and name n ) 
( segid A and resid 12 and name ca ) ( segid A and resid 12 and name c ) 1.0    -60.0    30.0 2  
! Gln-15
assign ( segid A and resid 14 and name c ) ( segid A and resid 15 and name n ) 
( segid A and resid 15 and name ca ) ( segid A and resid 15 and name c ) 1.0   -120.0    40.0 2  
! Asn-16
assign ( segid A and resid 15 and name c ) ( segid A and resid 16 and name n )  
( segid A and resid 16 and name ca ) ( segid A and resid 16 and name c )  1.0   -50.0    30.0 2  
! Cys-17
assign ( segid A and resid 16 and name c ) ( segid A and resid 17 and name n )  
( segid A and resid 17 and name ca ) ( segid A and resid 17 and name c )  1.0  -120.0    50.0 2  
! Phe-19
assign ( segid A and resid 18 and name c ) ( segid A and resid 19 and name n )  
( segid A and resid 19 and name ca ) ( segid A and resid 19 and name c )  1.0   -75.0    30.0 2  
! Val-22
assign ( segid A and resid 21 and name c ) ( segid A and resid 22 and name n ) 
( segid A and resid 22 and name ca ) ( segid A and resid 22 and name c ) 1.0    -50.0    40.0 2  
! Thr-23
assign ( segid A and resid 22 and name c ) ( segid A and resid 23 and name n ) 
( segid A and resid 23 and name ca ) ( segid A and resid 23 and name c ) 1.0   -140.0    40.0 2  
! Ser-25
assign ( segid A and resid 24 and name c ) ( segid A and resid 25 and name n ) 
( segid A and resid 25 and name ca ) ( segid A and resid 25 and name c ) 1.0    -60.0    50.0 2  
! Gln-26
assign ( segid A and resid 25 and name c ) ( segid A and resid 26 and name n ) 
( segid A and resid 26 and name ca ) ( segid A and resid 26 and name c ) 1.0    -70.0    50.0 2  
! Cys-27
assign ( segid A and resid 26 and name c ) ( segid A and resid 27 and name n ) 
( segid A and resid 27 and name ca ) ( segid A and resid 27 and name c ) 1.0    -60.0    40.0 2  
! Ala-28
assign ( segid A and resid 27 and name c ) ( segid A and resid 28 and name n ) 
( segid A and resid 28 and name ca ) ( segid A and resid 28 and name c ) 1.0    -70.0    40.0 2  
! Asn-29
assign ( segid A and resid 28 and name c ) ( segid A and resid 29 and name n ) 
( segid A and resid 29 and name ca ) ( segid A and resid 29 and name c ) 1.0    -80.0    30.0 2  
! Lys-30
assign ( segid A and resid 29 and name c ) ( segid A and resid 30 and name n ) 
( segid A and resid 30 and name ca ) ( segid A and resid 30 and name c ) 1.0    -90.0    40.0 2   
! Cys-32
assign ( segid A and resid 31 and name c ) ( segid A and resid 32 and name n ) 
( segid A and resid 32 and name ca ) ( segid A and resid 32 and name c ) 1.0   -100.0    50.0 2  
! Cys-33
assign ( segid A and resid 32 and name c ) ( segid A and resid 33 and name n )  
( segid A and resid 33 and name ca ) ( segid A and resid 33 and name c ) 1.0   -100.0    50.0 2  
! Phe-34
assign ( segid A and resid 33 and name c ) ( segid A and resid 34 and name n ) 
( segid A and resid 34 and name ca ) ( segid A and resid 34 and name c ) 1.0   -110.0    40.0 2  
! Asp-35 
assign ( segid A and resid 34 and name c ) ( segid A and resid 35 and name n ) 
( segid A and resid 35 and name ca ) ( segid A and resid 35 and name c ) 1.0   -130.0    40.0 2  
! Asp-36 
assign ( segid A and resid 35 and name c ) ( segid A and resid 36 and name n ) 
( segid A and resid 36 and name ca ) ( segid A and resid 36 and name c ) 1.0   -110.0    40.0 2  
! Thr-37 
assign ( segid A and resid 36 and name c ) ( segid A and resid 37 and name n ) 
( segid A and resid 37 and name ca ) ( segid A and resid 37 and name c ) 1.0   -80.0     40.0 2  
! Val-38 
assign ( segid A and resid 37 and name c ) ( segid A and resid 38 and name n ) 
( segid A and resid 38 and name ca ) ( segid A and resid 38 and name c ) 1.0   -120.0    40.0 2  
! Arg-39 
assign ( segid A and resid 38 and name c ) ( segid A and resid 39 and name n ) 
( segid A and resid 39 and name ca ) ( segid A and resid 39 and name c ) 1.0   -80.0     50.0 2  
! Val-41 
assign ( segid A and resid 40 and name c ) ( segid A and resid 41 and name n ) 
( segid A and resid 41 and name ca ) ( segid A and resid 41 and name c ) 1.0   -110.0    40.0 2  
! Trp-43 
assign ( segid A and resid 42 and name c ) ( segid A and resid 43 and name n ) 
( segid A and resid 43 and name ca ) ( segid A and resid 43 and name c )  1.0   -75.0    40.0 2  
! Cys-44 
assign ( segid A and resid 43 and name c ) ( segid A and resid 44 and name n ) 
( segid A and resid 44 and name ca ) ( segid A and resid 44 and name c ) 1.0   -100.0    40.0 2  
! Phe-45 
assign ( segid A and resid 44 and name c ) ( segid A and resid 45 and name n ) 
( segid A and resid 45 and name ca ) ( segid A and resid 45 and name c ) 1.0   -120.0    40.0 2  
! Tyr-46 
assign ( segid A and resid 45 and name c ) ( segid A and resid 46 and name n )  
( segid A and resid 46 and name ca ) ( segid A and resid 46 and name c ) 1.0    -70.0    40.0 2  
! Asn-48 
assign ( segid A and resid 47 and name c ) ( segid A and resid 48 and name n ) 
( segid A and resid 48 and name ca ) ( segid A and resid 48 and name c ) 1.0   -150.0    30.0 2  
! Thr-49 
assign ( segid A and resid 48 and name c ) ( segid A and resid 49 and name n ) 
( segid A and resid 49 and name ca ) ( segid A and resid 49 and name c ) 1.0    -90.0    30.0 2  
! Ile-50 
assign ( segid A and resid 49 and name c ) ( segid A and resid 50 and name n ) 
( segid A and resid 50 and name ca ) ( segid A and resid 50 and name c ) 1.0   -120.0    40.0 2  
! Asp-51 
assign ( segid A and resid 50 and name c ) ( segid A and resid 51 and name n ) 
( segid A and resid 51 and name ca ) ( segid A and resid 51 and name c ) 1.0   -120.0    45.0 2  
! Val-52
assign ( segid A and resid 51 and name c ) ( segid A and resid 52 and name n ) 
( segid A and resid 52 and name ca ) ( segid A and resid 52 and name c ) 1.0   -120.0    50.0 2  
! Val-53
assign ( segid A and resid 52 and name c ) ( segid A and resid 53 and name n ) 
( segid A and resid 53 and name ca ) ( segid A and resid 53 and name c ) 1.0   -120.0    50.0 2  
! Val-54
assign ( segid A and resid 53 and name c ) ( segid A and resid 54 and name n ) 
( segid A and resid 54 and name ca ) ( segid A and resid 54 and name c ) 1.0   -120.0    50.0 2  
! Val-55
assign ( segid A and resid 54 and name c ) ( segid A and resid 55 and name n ) 
( segid A and resid 55 and name ca ) ( segid A and resid 55 and name c ) 1.0   -120.0    50.0 2  
! Val-56
assign ( segid A and resid 55 and name c ) ( segid A and resid 56 and name n ) 
( segid A and resid 56 and name ca ) ( segid A and resid 56 and name c ) 1.0   -120.0    50.0 2  
! Val-57
assign ( segid A and resid 56 and name c ) ( segid A and resid 57 and name n ) 
( segid A and resid 57 and name ca ) ( segid A and resid 57 and name c ) 1.0   -120.0    50.0 2  
! Val-58
assign ( segid A and resid 57 and name c ) ( segid A and resid 58 and name n ) 
( segid A and resid 58 and name ca ) ( segid A and resid 58 and name c ) 1.0   -120.0    50.0 2  
! Val-59
assign ( segid A and resid 58 and name c ) ( segid A and resid 59 and name n ) 
( segid A and resid 59 and name ca ) ( segid A and resid 59 and name c ) 1.0   -120.0    50.0 2  
! Val-60
assign ( segid A and resid 59 and name c ) ( segid A and resid 60 and name n ) 
( segid A and resid 60 and name ca ) ( segid A and resid 60 and name c ) 1.0   -120.0    50.0 2  
!!
!
! PSI angles
!
! Gln-3
assign ( segid A and resid 3 and name n ) ( segid A and resid 3 and name ca ) 
( segid A and resid 3 and name c ) ( segid A and resid 4 and name n )    1.0    140.0    45.0 2  
! Thr-4
assign ( segid A and resid 4 and name n ) ( segid A and resid 4 and name ca ) 
( segid A and resid 4 and name c ) ( segid A and resid 5 and name n )    1.0    160.0    40.0 2  
! Glu-5
assign ( segid A and resid 5 and name n ) ( segid A and resid 5 and name ca ) 
( segid A and resid 5 and name c ) ( segid A and resid 6 and name n )    1.0    155.0    30.0 2  
! Thr-6
assign ( segid A and resid 6 and name n ) ( segid A and resid 6 and name ca )  
( segid A and resid 6 and name c ) ( segid A and resid 7 and name n )    1.0    120.0    60.0 2  
! Cys-7
assign ( segid A and resid 7 and name n ) ( segid A and resid 7 and name ca ) 
( segid A and resid 7 and name c ) ( segid A and resid 8 and name n )    1.0     10.0    35.0 2  
! Thr-8
assign ( segid A and resid 8 and name n ) ( segid A and resid 8 and name ca ) 
( segid A and resid 8 and name c ) ( segid A and resid 9 and name n )    1.0    120.0    90.0 2  
! Val-9
assign ( segid A and resid 9 and name n ) ( segid A and resid 9 and name ca ) 
( segid A and resid 9 and name c ) ( segid A and resid 10 and name n )   1.0    150.0    40.0 2 
! Ala-10
assign ( segid A and resid 10 and name n ) ( segid A and resid 10 and name ca ) 
( segid A and resid 10 and name c ) ( segid A and resid 11 and name n )  1.0    145.0    40.0 2  
! Pro-11
assign ( segid A and resid 11 and name n ) ( segid A and resid 11 and name ca ) 
( segid A and resid 11 and name c ) ( segid A and resid 12 and name n )  1.0    -55.0    40.0 2  
! Arg-12
assign ( segid A and resid 12 and name n ) ( segid A and resid 12 and name ca ) 
( segid A and resid 12 and name c ) ( segid A and resid 13 and name n )  1.0    -60.0    30.0 2  
! Glu-13
assign ( segid A and resid 13 and name n ) ( segid A and resid 13 and name ca ) 
( segid A and resid 13 and name c ) ( segid A and resid 14 and name n )  1.0     20.0    40.0 2  
! Arg-14
assign ( segid A and resid 14 and name n ) ( segid A and resid 14 and name ca ) 
( segid A and resid 14 and name c ) ( segid A and resid 15 and name n )  1.0    110.0    60.0 2  
! Gln-15
assign ( segid A and resid 15 and name n ) ( segid A and resid 15 and name ca ) 
( segid A and resid 15 and name c ) ( segid A and resid 16 and name n )  1.0    120.0    40.0 2  
! Asn-16
assign ( segid A and resid 16 and name n ) ( segid A and resid 16 and name ca ) 
( segid A and resid 16 and name c ) ( segid A and resid 17 and name n )  1.0    100.0    50.0 2  
! Cys-17
assign ( segid A and resid 17 and name n ) ( segid A and resid 17 and name ca ) 
( segid A and resid 17 and name c ) ( segid A and resid 18 and name n )  1.0     -5.0    45.0 2  
! Phe-19
assign ( segid A and resid 19 and name n ) ( segid A and resid 19 and name ca ) 
( segid A and resid 19 and name c ) ( segid A and resid 20 and name n )  1.0    130.0    60.0 2  
! Pro-20
assign ( segid A and resid 20 and name n ) ( segid A and resid 20 and name ca ) 
( segid A and resid 20 and name c ) ( segid A and resid 21 and name n )  1.0    -90.0    80.0 2  
! Val-22
assign ( segid A and resid 22 and name n ) ( segid A and resid 22 and name ca ) 
( segid A and resid 22 and name c ) ( segid A and resid 23 and name n )  1.0    150.0    40.0 2  
! Thr-23
assign ( segid A and resid 23 and name n ) ( segid A and resid 23 and name ca ) 
( segid A and resid 23 and name c ) ( segid A and resid 24 and name n )  1.0    155.0    40.0 2  
! Ser-25
assign ( segid A and resid 25 and name n ) ( segid A and resid 25 and name ca ) 
( segid A and resid 25 and name c ) ( segid A and resid 26 and name n )  1.0    -50.0    40.0 2  
! Gln-26
assign ( segid A and resid 26 and name n ) ( segid A and resid 26 and name ca ) 
( segid A and resid 26 and name c ) ( segid A and resid 27 and name n )  1.0    -60.0    40.0 2  
! Cys-27
assign ( segid A and resid 27 and name n ) ( segid A and resid 27 and name ca ) 
( segid A and resid 27 and name c ) ( segid A and resid 28 and name n )  1.0    -40.0    50.0 2  
! Ala-28
assign ( segid A and resid 28 and name n ) ( segid A and resid 28 and name ca ) 
( segid A and resid 28 and name c ) ( segid A and resid 29 and name n )  1.0    -40.0    40.0 2  
! Asn-29
assign ( segid A and resid 29 and name n ) ( segid A and resid 29 and name ca ) 
( segid A and resid 29 and name c ) ( segid A and resid 30 and name n )  1.0    -55.0    50.0 2  
! Lys-30
assign ( segid A and resid 30 and name n ) ( segid A and resid 30 and name ca ) 
( segid A and resid 30 and name c ) ( segid A and resid 31 and name n )  1.0     30.0    90.0 2  
! Cys-32
assign ( segid A and resid 32 and name n ) ( segid A and resid 32 and name ca ) 
( segid A and resid 32 and name c ) ( segid A and resid 33 and name n )  1.0    160.0    40.0 2  
! Cys-33
assign ( segid A and resid 33 and name n ) ( segid A and resid 33 and name ca ) 
( segid A and resid 33 and name c ) ( segid A and resid 34 and name n )  1.0    120.0    35.0 2  
! Phe-34
assign ( segid A and resid 34 and name n ) ( segid A and resid 34 and name ca ) 
( segid A and resid 34 and name c ) ( segid A and resid 35 and name n )  1.0    120.0    40.0 2  
! Asp-35
assign ( segid A and resid 35 and name n ) ( segid A and resid 35 and name ca ) 
( segid A and resid 35 and name c ) ( segid A and resid 36 and name n )  1.0    120.0    40.0 2  
! Thr-37
assign ( segid A and resid 37 and name n ) ( segid A and resid 37 and name ca ) 
( segid A and resid 37 and name c ) ( segid A and resid 38 and name n )  1.0    -40.0    35.0 2  
! Val-38
assign ( segid A and resid 38 and name n ) ( segid A and resid 38 and name ca ) 
( segid A and resid 38 and name c ) ( segid A and resid 39 and name n )  1.0    135.0    40.0 2  
! Arg-39
assign ( segid A and resid 39 and name n ) ( segid A and resid 39 and name ca ) 
( segid A and resid 39 and name c ) ( segid A and resid 40 and name n )  1.0    170.0    30.0 2   
! Val-41
assign ( segid A and resid 41 and name n ) ( segid A and resid 41 and name ca ) 
( segid A and resid 41 and name c ) ( segid A and resid 42 and name n )  1.0    160.0    30.0 2  
! Pro-42
assign ( segid A and resid 42 and name n ) ( segid A and resid 42 and name ca ) 
( segid A and resid 42 and name c ) ( segid A and resid 43 and name n )  1.0    150.0    30.0 2  
! Trp-43
assign ( segid A and resid 43 and name n ) ( segid A and resid 43 and name ca ) 
( segid A and resid 43 and name c ) ( segid A and resid 44 and name n )  1.0    -60.0    50.0 2  
! Cys-44
assign ( segid A and resid 44 and name n ) ( segid A and resid 44 and name ca ) 
( segid A and resid 44 and name c ) ( segid A and resid 45 and name n )  1.0    120.0    45.0 2  
! Phe-45
assign ( segid A and resid 45 and name n ) ( segid A and resid 45 and name ca ) 
( segid A and resid 45 and name c ) ( segid A and resid 46 and name n )  1.0    110.0    80.0 2  
! Tyr-46 
assign ( segid A and resid 46 and name n ) ( segid A and resid 46 and name ca ) 
(segid A and resid 46 and name c ) ( segid A and resid 47 and name n )   1.0    175.0    40.0 2  
! Pro-47
assign ( segid A and resid 47 and name n ) ( segid A and resid 47 and name ca ) 
( segid A and resid 47 and name c ) ( segid A and resid 48 and name n )  1.0    175.0    40.0 2  
! Asn-48
assign ( segid A and resid 48 and name n ) ( segid A and resid 48 and name ca ) 
( segid A and resid 48 and name c ) ( segid A and resid 49 and name n )  1.0    130.0    50.0 2  
! Thr-49
assign ( segid A and resid 49 and name n ) ( segid A and resid 49 and name ca ) 
( segid A and resid 49 and name c ) ( segid A and resid 50 and name n )  1.0    120.0    50.0 2  
! Ile-50
assign ( segid A and resid 50 and name n ) ( segid A and resid 50 and name ca ) 
( segid A and resid 50 and name c ) ( segid A and resid 51 and name n )  1.0    130.0    40.0 2  
! Asp-51
assign ( segid A and resid 51 and name n ) ( segid A and resid 51 and name ca ) 
( segid A and resid 51 and name c ) ( segid A and resid 52 and name n )  1.0    145.0    50.0 2  
!
!
!
! CHI-1 angles
!
! Gln-3
assign ( segid A and resid 3 and name n ) ( segid A and resid 3 and name ca ) 
( segid A and resid 3 and name cb ) ( segid A and resid 3 and name cg)   1.0    -60.0    40.0 2  
! Thr-4
assign ( segid A and resid 4 and name n ) ( segid A and resid 4 and name ca ) 
( segid A and resid 4 and name cb ) ( segid A and resid 4 and name og1)  1.0     45.0    40.0 2  
! Glu-5
assign ( segid A and resid 5 and name n ) ( segid A and resid 5 and name ca ) 
( segid A and resid 5 and name cb ) ( segid A and resid 5 and name cg)   1.0    -60.0    40.0 2  
! Thr-6
assign ( segid A and resid 6 and name n ) ( segid A and resid 6 and name ca ) 
( segid A and resid 6 and name cb ) ( segid A and resid 6 and name og1)  1.0   -120.0   100.0 2  
! Cys-7
assign ( segid A and resid 7 and name n ) ( segid A and resid 7 and name ca ) 
( segid A and resid 7 and name cb ) ( segid A and resid 7 and name sg )  1.0    -60.0    40.0 2  
! Thr-8
assign ( segid A and resid 8 and name n ) ( segid A and resid 8 and name ca ) 
( segid A and resid 8 and name cb ) ( segid A and resid 8 and name og1)  1.0    180.0    30.0 2  
! Val-9
assign ( segid A and resid 9 and name n ) ( segid A and resid 9 and name ca ) 
( segid A and resid 9 and name cb ) ( segid A and resid 9 and name cg1 ) 1.0   -180.0    30.0 2  
! Pro-11
assign ( segid A and resid 11 and name n ) ( segid A and resid 11 and name ca ) 
( segid A and resid 11 and name cb ) ( segid A and resid 11 and name cg) 1.0    -45.0    30.0 2  
! Glu-13
assign ( segid A and resid 13 and name n ) ( segid A and resid 13 and name ca ) 
( segid A and resid 13 and name cb ) ( segid A and resid 13 and name cg) 1.0    -60.0    30.0 2  
! Arg-14
assign ( segid A and resid 14 and name n ) ( segid A and resid 14 and name ca ) 
( segid A and resid 14 and name cb ) ( segid A and resid 14 and name cg ) 1.0    -70.0   40.0 2  
! Glu-16
assign ( segid A and resid 16 and name n ) ( segid A and resid 16 and name ca ) 
( segid A and resid 16 and name cb ) ( segid A and resid 16 and name cg ) 1.0    190.0   30.0 2  
! Cys-17
assign ( segid A and resid 17 and name n ) ( segid A and resid 17 and name ca )  
( segid A and resid 17 and name cb ) ( segid A and resid 17 and name sg ) 1.0    180.0   30.0 2  
! Phe-19
assign ( segid A and resid 19 and name n ) ( segid A and resid 19 and name ca ) 
( segid A and resid 19 and name cb ) ( segid A and resid 19 and name cg ) 1.0     50.0   30.0 2  
! Pro-20
assign ( segid A and resid 20 and name n ) ( segid A and resid 20 and name ca ) 
( segid A and resid 20 and name cb ) ( segid A and resid 20 and name cg ) 1.0     45.0   30.0 2  
! Val-22
assign ( segid A and resid 22 and name n ) ( segid A and resid 22 and name ca )   
( segid A and resid 22 and name cb ) ( segid A and resid 22 and name cg1) 1.0    -70.0   30.0 2  
! Thr-23
assign ( segid A and resid 23 and name n ) ( segid A and resid 23 and name ca )  
( segid A and resid 23 and name cb ) ( segid A and resid 23 and name og1) 1.0     50.0   30.0 2  
! Pro-24
assign ( segid A and resid 24 and name n ) ( segid A and resid 24 and name ca ) 
( segid A and resid 24 and name cb ) ( segid A and resid 24 and name cg ) 1.0      0.0   65.0 2  
! Gln-26
assign ( segid A and resid 26 and name n ) ( segid A and resid 26 and name ca )   
( segid A and resid 26 and name cb ) ( segid A and resid 26 and name cg ) 1.0    -70.0   40.0 2  
! Cys-27
assign ( segid A and resid 27 and name n ) ( segid A and resid 27 and name ca ) 
( segid A and resid 27 and name cb ) ( segid A and resid 27 and name sg ) 1.0   -165.0   30.0 2  
! Asn-29
assign ( segid A and resid 29 and name n ) ( segid A and resid 29 and name ca ) 
( segid A and resid 29 and name cb ) ( segid A and resid 29 and name cg ) 1.0    180.0   30.0 2  
! Cys-32
assign ( segid A and resid 32 and name n ) ( segid A and resid 32 and name ca ) 
( segid A and resid 32 and name cb ) ( segid A and resid 32 and name sg ) 1.0    -60.0   35.0 2  
! Cys-33
assign ( segid A and resid 33 and name n ) ( segid A and resid 33 and name ca ) 
( segid A and resid 33 and name cb ) ( segid A and resid 33 and name sg ) 1.0    -60.0   30.0 2  
! Phe-34
assign ( segid A and resid 34 and name n ) ( segid A and resid 34 and name ca ) 
( segid A and resid 34 and name cb ) ( segid A and resid 34 and name cg ) 1.0    180.0   30.0 2  
! Asp-35
assign ( segid A and resid 35 and name n ) ( segid A and resid 35 and name ca )   
( segid A and resid 35 and name cb ) ( segid A and resid 35 and name cg ) 1.0    170.0   30.0 2  
! Asp-36
assign ( segid A and resid 36 and name n ) ( segid A and resid 36 and name ca ) 
( segid A and resid 36 and name cb ) ( segid A and resid 36 and name cg ) 1.0     60.0   30.0 2  
! Thr-37
assign ( segid A and resid 37 and name n ) ( segid A and resid 37 and name ca ) 
( segid A and resid 37 and name cb ) ( segid A and resid 37 and name og1 ) 1.0    55.0   30.0 2  
! Val-38
assign ( segid A and resid 38 and name n ) ( segid A and resid 38 and name ca ) 
( segid A and resid 38 and name cb ) ( segid A and resid 38 and name cg1 ) 1.0   180.0   35.0 2  
! Val-41
assign ( segid A and resid 41 and name n ) ( segid A and resid 41 and name ca ) 
( segid A and resid 41 and name cb ) ( segid A and resid 41 and name cg1 ) 1.0   -60.0   30.0 2  
! Pro-42
assign ( segid A and resid 42 and name n ) ( segid A and resid 42 and name ca ) 
( segid A and resid 42 and name cb ) ( segid A and resid 42 and name cg )  1.0    45.0   30.0 2  
! Trp-43
assign ( segid A and resid 43 and name n ) ( segid A and resid 43 and name ca ) 
( segid A and resid 43 and name cb ) ( segid A and resid 43 and name cg )  1.0   -60.0   35.0 2  
! Cys-44
assign ( segid A and resid 44 and name n ) ( segid A and resid 44 and name ca ) 
( segid A and resid 44 and name cb ) ( segid A and resid 44 and name sg ) 1.0    180.0   30.0 2  
! Phe-45
assign ( segid A and resid 45 and name n ) ( segid A and resid 45 and name ca ) 
( segid A and resid 45 and name cb ) ( segid A and resid 45 and name cg ) 1.0     60.0   30.0 2  
! Tyr-46
assign ( segid A and resid 46 and name n ) ( segid A and resid 46 and name ca )  
( segid A and resid 46 and name cb ) ( segid A and resid 46 and name cg ) 1.0    -60.0   35.0 2  
! Pro-47
assign ( segid A and resid 47 and name n ) ( segid A and resid 47 and name ca ) 
( segid A and resid 47 and name cb ) ( segid A and resid 47 and name cg )  1.0    45.0   30.0 2 
!
!
! CHI-2 angles
!
! Arg-14
assign ( segid A and resid 14 and name ca ) ( segid A and resid 14 and name cb ) 
( segid A and resid 14 and name cg  ) ( segid A and resid 14 and name cd  ) 1.0  180.0   30.0 2  
! Ile-50
assign ( segid A and resid 50 and name ca ) ( segid A and resid 50 and name cb ) 
( segid A and resid 50 and name cg1 ) ( segid A and resid 50 and name cd1 ) 1.0  180.0   30.0 2  
!
!
! CHI-3 angles
!
! Arg-14
assign ( segid A and resid 14 and name cb ) ( segid A and resid 14 and name cg ) 
( segid A and resid 14 and name cd  ) ( segid A and resid 14 and name ne  ) 1.0  180.0   30.0 2  
!
!
! CHI-4 angles
!
! Arg-14
assign ( segid A and resid 14 and name cg ) ( segid A and resid 14 and name cd ) 
( segid A and resid 14 and name ne  ) ( segid A and resid 14 and name cz  ) 1.0  180.0   30.0 2  
!
! PHI angles
!
!  Ala-2
assign ( segid B and resid 1 and name c ) ( segid B and resid 2 and name n ) 
( segid B and resid 2 and name ca ) ( segid B and resid 2 and name c )   1.0   -120.0    50.0 2  
!  Gln-3
assign ( segid B and resid 2 and name c ) ( segid B and resid 3 and name n ) 
( segid B and resid 3 and name ca ) ( segid B and resid 3 and name c )   1.0   -120.0    40.0 2  
!  Thr-4
assign ( segid B and resid 3 and name c ) ( segid B and resid 4 and name n ) 
( segid B and resid 4 and name ca ) ( segid B and resid 4 and name c )   1.0   -120.0    50.0 2  
!  Glu-5
assign ( segid B and resid 4 and name c ) ( segid B and resid 5 and name n ) 
( segid B and resid 5 and name ca ) ( segid B and resid 5 and name c )   1.0    -80.0    30.0 2  
!  Thr-6
assign ( segid B and resid 5 and name c ) ( segid B and resid 6 and name n ) 
( segid B and resid 6 and name ca ) ( segid B and resid 6 and name c )   1.0   -120.0    30.0 2  
!  Cys-7
assign ( segid B and resid 6 and name c ) ( segid B and resid 7 and name n ) 
( segid B and resid 7 and name ca ) ( segid B and resid 7 and name c )   1.0   -120.0    40.0 2  
!  Thr-8 
assign ( segid B and resid 7 and name c ) ( segid B and resid 8 and name n ) 
( segid B and resid 8 and name ca ) ( segid B and resid 8 and name c )   1.0   -110.0    40.0 2  
!  Val-9 
assign ( segid B and resid 8 and name c ) ( segid B and resid 9 and name n ) 
( segid B and resid 9 and name ca ) ( segid B and resid 9 and name c )   1.0   -120.0    30.0 2  
! Ala-10
assign ( segid B and resid 9 and name c ) ( segid B and resid 10 and name n ) 
( segid B and resid 10 and name ca ) ( segid B and resid 10 and name c ) 1.0    -50.0    50.0 2  
! Arg-12
assign ( segid B and resid 11 and name c ) ( segid B and resid 12 and name n ) 
( segid B and resid 12 and name ca ) ( segid B and resid 12 and name c ) 1.0    -60.0    30.0 2  
! Gln-15
assign ( segid B and resid 14 and name c ) ( segid B and resid 15 and name n ) 
( segid B and resid 15 and name ca ) ( segid B and resid 15 and name c ) 1.0   -120.0    40.0 2  
! Asn-16
assign ( segid B and resid 15 and name c ) ( segid B and resid 16 and name n )  
( segid B and resid 16 and name ca ) ( segid B and resid 16 and name c )  1.0   -50.0    30.0 2  
! Cys-17
assign ( segid B and resid 16 and name c ) ( segid B and resid 17 and name n )  
( segid B and resid 17 and name ca ) ( segid B and resid 17 and name c )  1.0  -120.0    50.0 2  
! Phe-19
assign ( segid B and resid 18 and name c ) ( segid B and resid 19 and name n )  
( segid B and resid 19 and name ca ) ( segid B and resid 19 and name c )  1.0   -75.0    30.0 2  
! Val-22
assign ( segid B and resid 21 and name c ) ( segid B and resid 22 and name n ) 
( segid B and resid 22 and name ca ) ( segid B and resid 22 and name c ) 1.0    -50.0    40.0 2  
! Thr-23
assign ( segid B and resid 22 and name c ) ( segid B and resid 23 and name n ) 
( segid B and resid 23 and name ca ) ( segid B and resid 23 and name c ) 1.0   -140.0    40.0 2  
! Ser-25
assign ( segid B and resid 24 and name c ) ( segid B and resid 25 and name n ) 
( segid B and resid 25 and name ca ) ( segid B and resid 25 and name c ) 1.0    -60.0    50.0 2  
! Gln-26
assign ( segid B and resid 25 and name c ) ( segid B and resid 26 and name n ) 
( segid B and resid 26 and name ca ) ( segid B and resid 26 and name c ) 1.0    -70.0    50.0 2  
! Cys-27
assign ( segid B and resid 26 and name c ) ( segid B and resid 27 and name n ) 
( segid B and resid 27 and name ca ) ( segid B and resid 27 and name c ) 1.0    -60.0    40.0 2  
! Ala-28
assign ( segid B and resid 27 and name c ) ( segid B and resid 28 and name n ) 
( segid B and resid 28 and name ca ) ( segid B and resid 28 and name c ) 1.0    -70.0    40.0 2  
! Asn-29
assign ( segid B and resid 28 and name c ) ( segid B and resid 29 and name n ) 
( segid B and resid 29 and name ca ) ( segid B and resid 29 and name c ) 1.0    -80.0    30.0 2  
! Lys-30
assign ( segid B and resid 29 and name c ) ( segid B and resid 30 and name n ) 
( segid B and resid 30 and name ca ) ( segid B and resid 30 and name c ) 1.0    -90.0    40.0 2   
! Cys-32
assign ( segid B and resid 31 and name c ) ( segid B and resid 32 and name n ) 
( segid B and resid 32 and name ca ) ( segid B and resid 32 and name c ) 1.0   -100.0    50.0 2  
! Cys-33
assign ( segid B and resid 32 and name c ) ( segid B and resid 33 and name n )  
( segid B and resid 33 and name ca ) ( segid B and resid 33 and name c ) 1.0   -100.0    50.0 2  
! Phe-34
assign ( segid B and resid 33 and name c ) ( segid B and resid 34 and name n ) 
( segid B and resid 34 and name ca ) ( segid B and resid 34 and name c ) 1.0   -110.0    40.0 2  
! Asp-35 
assign ( segid B and resid 34 and name c ) ( segid B and resid 35 and name n ) 
( segid B and resid 35 and name ca ) ( segid B and resid 35 and name c ) 1.0   -130.0    40.0 2  
! Asp-36 
assign ( segid B and resid 35 and name c ) ( segid B and resid 36 and name n ) 
( segid B and resid 36 and name ca ) ( segid B and resid 36 and name c ) 1.0   -110.0    40.0 2  
! Thr-37 
assign ( segid B and resid 36 and name c ) ( segid B and resid 37 and name n ) 
( segid B and resid 37 and name ca ) ( segid B and resid 37 and name c ) 1.0   -80.0     40.0 2  
! Val-38 
assign ( segid B and resid 37 and name c ) ( segid B and resid 38 and name n ) 
( segid B and resid 38 and name ca ) ( segid B and resid 38 and name c ) 1.0   -120.0    40.0 2  
! Arg-39 
assign ( segid B and resid 38 and name c ) ( segid B and resid 39 and name n ) 
( segid B and resid 39 and name ca ) ( segid B and resid 39 and name c ) 1.0   -80.0     50.0 2  
! Val-41 
assign ( segid B and resid 40 and name c ) ( segid B and resid 41 and name n ) 
( segid B and resid 41 and name ca ) ( segid B and resid 41 and name c ) 1.0   -110.0    40.0 2  
! Trp-43 
assign ( segid B and resid 42 and name c ) ( segid B and resid 43 and name n ) 
( segid B and resid 43 and name ca ) ( segid B and resid 43 and name c )  1.0   -75.0    40.0 2  
! Cys-44 
assign ( segid B and resid 43 and name c ) ( segid B and resid 44 and name n ) 
( segid B and resid 44 and name ca ) ( segid B and resid 44 and name c ) 1.0   -100.0    40.0 2  
! Phe-45 
assign ( segid B and resid 44 and name c ) ( segid B and resid 45 and name n ) 
( segid B and resid 45 and name ca ) ( segid B and resid 45 and name c ) 1.0   -120.0    40.0 2  
! Tyr-46 
assign ( segid B and resid 45 and name c ) ( segid B and resid 46 and name n )  
( segid B and resid 46 and name ca ) ( segid B and resid 46 and name c ) 1.0    -70.0    40.0 2  
! Asn-48 
assign ( segid B and resid 47 and name c ) ( segid B and resid 48 and name n ) 
( segid B and resid 48 and name ca ) ( segid B and resid 48 and name c ) 1.0   -150.0    30.0 2  
! Thr-49 
assign ( segid B and resid 48 and name c ) ( segid B and resid 49 and name n ) 
( segid B and resid 49 and name ca ) ( segid B and resid 49 and name c ) 1.0    -90.0    30.0 2  
! Ile-50 
assign ( segid B and resid 49 and name c ) ( segid B and resid 50 and name n ) 
( segid B and resid 50 and name ca ) ( segid B and resid 50 and name c ) 1.0   -120.0    40.0 2  
! Asp-51 
assign ( segid B and resid 50 and name c ) ( segid B and resid 51 and name n ) 
( segid B and resid 51 and name ca ) ( segid B and resid 51 and name c ) 1.0   -120.0    45.0 2  
! Val-52
assign ( segid B and resid 51 and name c ) ( segid B and resid 52 and name n ) 
( segid B and resid 52 and name ca ) ( segid B and resid 52 and name c ) 1.0   -120.0    50.0 2  
! Val-53
assign ( segid B and resid 52 and name c ) ( segid B and resid 53 and name n ) 
( segid B and resid 53 and name ca ) ( segid B and resid 53 and name c ) 1.0   -120.0    50.0 2  
! Val-54
assign ( segid B and resid 53 and name c ) ( segid B and resid 54 and name n ) 
( segid B and resid 54 and name ca ) ( segid B and resid 54 and name c ) 1.0   -120.0    50.0 2  
! Val-55
assign ( segid B and resid 54 and name c ) ( segid B and resid 55 and name n ) 
( segid B and resid 55 and name ca ) ( segid B and resid 55 and name c ) 1.0   -120.0    50.0 2  
! Val-56
assign ( segid B and resid 55 and name c ) ( segid B and resid 56 and name n ) 
( segid B and resid 56 and name ca ) ( segid B and resid 56 and name c ) 1.0   -120.0    50.0 2  
! Val-57
assign ( segid B and resid 56 and name c ) ( segid B and resid 57 and name n ) 
( segid B and resid 57 and name ca ) ( segid B and resid 57 and name c ) 1.0   -120.0    50.0 2  
! Val-58
assign ( segid B and resid 57 and name c ) ( segid B and resid 58 and name n ) 
( segid B and resid 58 and name ca ) ( segid B and resid 58 and name c ) 1.0   -120.0    50.0 2  
! Val-59
assign ( segid B and resid 58 and name c ) ( segid B and resid 59 and name n ) 
( segid B and resid 59 and name ca ) ( segid B and resid 59 and name c ) 1.0   -120.0    50.0 2  
! Val-60
assign ( segid B and resid 59 and name c ) ( segid B and resid 60 and name n ) 
( segid B and resid 60 and name ca ) ( segid B and resid 60 and name c ) 1.0   -120.0    50.0 2  
!
!
! PSI angles
!
! Gln-3
assign ( segid B and resid 3 and name n ) ( segid B and resid 3 and name ca ) 
( segid B and resid 3 and name c ) ( segid B and resid 4 and name n )    1.0    140.0    45.0 2  
! Thr-4
assign ( segid B and resid 4 and name n ) ( segid B and resid 4 and name ca ) 
( segid B and resid 4 and name c ) ( segid B and resid 5 and name n )    1.0    160.0    40.0 2  
! Glu-5
assign ( segid B and resid 5 and name n ) ( segid B and resid 5 and name ca ) 
( segid B and resid 5 and name c ) ( segid B and resid 6 and name n )    1.0    155.0    30.0 2  
! Thr-6
assign ( segid B and resid 6 and name n ) ( segid B and resid 6 and name ca )  
( segid B and resid 6 and name c ) ( segid B and resid 7 and name n )    1.0    120.0    60.0 2  
! Cys-7
assign ( segid B and resid 7 and name n ) ( segid B and resid 7 and name ca ) 
( segid B and resid 7 and name c ) ( segid B and resid 8 and name n )    1.0     10.0    35.0 2  
! Thr-8
assign ( segid B and resid 8 and name n ) ( segid B and resid 8 and name ca ) 
( segid B and resid 8 and name c ) ( segid B and resid 9 and name n )    1.0    120.0    90.0 2  
! Val-9
assign ( segid B and resid 9 and name n ) ( segid B and resid 9 and name ca ) 
( segid B and resid 9 and name c ) ( segid B and resid 10 and name n )   1.0    150.0    40.0 2 
! Ala-10
assign ( segid B and resid 10 and name n ) ( segid B and resid 10 and name ca ) 
( segid B and resid 10 and name c ) ( segid B and resid 11 and name n )  1.0    145.0    40.0 2  
! Pro-11
assign ( segid B and resid 11 and name n ) ( segid B and resid 11 and name ca ) 
( segid B and resid 11 and name c ) ( segid B and resid 12 and name n )  1.0    -55.0    40.0 2  
! Arg-12
assign ( segid B and resid 12 and name n ) ( segid B and resid 12 and name ca ) 
( segid B and resid 12 and name c ) ( segid B and resid 13 and name n )  1.0    -60.0    30.0 2  
! Glu-13
assign ( segid B and resid 13 and name n ) ( segid B and resid 13 and name ca ) 
( segid B and resid 13 and name c ) ( segid B and resid 14 and name n )  1.0     20.0    40.0 2  
! Arg-14
assign ( segid B and resid 14 and name n ) ( segid B and resid 14 and name ca ) 
( segid B and resid 14 and name c ) ( segid B and resid 15 and name n )  1.0    110.0    60.0 2  
! Gln-15
assign ( segid B and resid 15 and name n ) ( segid B and resid 15 and name ca ) 
( segid B and resid 15 and name c ) ( segid B and resid 16 and name n )  1.0    120.0    40.0 2  
! Asn-16
assign ( segid B and resid 16 and name n ) ( segid B and resid 16 and name ca ) 
( segid B and resid 16 and name c ) ( segid B and resid 17 and name n )  1.0    100.0    50.0 2  
! Cys-17
assign ( segid B and resid 17 and name n ) ( segid B and resid 17 and name ca ) 
( segid B and resid 17 and name c ) ( segid B and resid 18 and name n )  1.0     -5.0    45.0 2  
! Phe-19
assign ( segid B and resid 19 and name n ) ( segid B and resid 19 and name ca ) 
( segid B and resid 19 and name c ) ( segid B and resid 20 and name n )  1.0    130.0    60.0 2  
! Pro-20
assign ( segid B and resid 20 and name n ) ( segid B and resid 20 and name ca ) 
( segid B and resid 20 and name c ) ( segid B and resid 21 and name n )  1.0    -90.0    80.0 2  
! Val-22
assign ( segid B and resid 22 and name n ) ( segid B and resid 22 and name ca ) 
( segid B and resid 22 and name c ) ( segid B and resid 23 and name n )  1.0    150.0    40.0 2  
! Thr-23
assign ( segid B and resid 23 and name n ) ( segid B and resid 23 and name ca ) 
( segid B and resid 23 and name c ) ( segid B and resid 24 and name n )  1.0    155.0    40.0 2  
! Ser-25
assign ( segid B and resid 25 and name n ) ( segid B and resid 25 and name ca ) 
( segid B and resid 25 and name c ) ( segid B and resid 26 and name n )  1.0    -50.0    40.0 2  
! Gln-26
assign ( segid B and resid 26 and name n ) ( segid B and resid 26 and name ca ) 
( segid B and resid 26 and name c ) ( segid B and resid 27 and name n )  1.0    -60.0    40.0 2  
! Cys-27
assign ( segid B and resid 27 and name n ) ( segid B and resid 27 and name ca ) 
( segid B and resid 27 and name c ) ( segid B and resid 28 and name n )  1.0    -40.0    50.0 2  
! Ala-28
assign ( segid B and resid 28 and name n ) ( segid B and resid 28 and name ca ) 
( segid B and resid 28 and name c ) ( segid B and resid 29 and name n )  1.0    -40.0    40.0 2  
! Asn-29
assign ( segid B and resid 29 and name n ) ( segid B and resid 29 and name ca ) 
( segid B and resid 29 and name c ) ( segid B and resid 30 and name n )  1.0    -55.0    50.0 2  
! Lys-30
assign ( segid B and resid 30 and name n ) ( segid B and resid 30 and name ca ) 
( segid B and resid 30 and name c ) ( segid B and resid 31 and name n )  1.0     30.0    90.0 2  
! Cys-32
assign ( segid B and resid 32 and name n ) ( segid B and resid 32 and name ca ) 
( segid B and resid 32 and name c ) ( segid B and resid 33 and name n )  1.0    160.0    40.0 2  
! Cys-33
assign ( segid B and resid 33 and name n ) ( segid B and resid 33 and name ca ) 
( segid B and resid 33 and name c ) ( segid B and resid 34 and name n )  1.0    120.0    35.0 2  
! Phe-34
assign ( segid B and resid 34 and name n ) ( segid B and resid 34 and name ca ) 
( segid B and resid 34 and name c ) ( segid B and resid 35 and name n )  1.0    120.0    40.0 2  
! Asp-35
assign ( segid B and resid 35 and name n ) ( segid B and resid 35 and name ca ) 
( segid B and resid 35 and name c ) ( segid B and resid 36 and name n )  1.0    120.0    40.0 2  
! Thr-37
assign ( segid B and resid 37 and name n ) ( segid B and resid 37 and name ca ) 
( segid B and resid 37 and name c ) ( segid B and resid 38 and name n )  1.0    -40.0    35.0 2  
! Val-38
assign ( segid B and resid 38 and name n ) ( segid B and resid 38 and name ca ) 
( segid B and resid 38 and name c ) ( segid B and resid 39 and name n )  1.0    135.0    40.0 2  
! Arg-39
assign ( segid B and resid 39 and name n ) ( segid B and resid 39 and name ca ) 
( segid B and resid 39 and name c ) ( segid B and resid 40 and name n )  1.0    170.0    30.0 2   
! Val-41
assign ( segid B and resid 41 and name n ) ( segid B and resid 41 and name ca ) 
( segid B and resid 41 and name c ) ( segid B and resid 42 and name n )  1.0    160.0    30.0 2  
! Pro-42
assign ( segid B and resid 42 and name n ) ( segid B and resid 42 and name ca ) 
( segid B and resid 42 and name c ) ( segid B and resid 43 and name n )  1.0    150.0    30.0 2  
! Trp-43
assign ( segid B and resid 43 and name n ) ( segid B and resid 43 and name ca ) 
( segid B and resid 43 and name c ) ( segid B and resid 44 and name n )  1.0    -60.0    50.0 2  
! Cys-44
assign ( segid B and resid 44 and name n ) ( segid B and resid 44 and name ca ) 
( segid B and resid 44 and name c ) ( segid B and resid 45 and name n )  1.0    120.0    45.0 2  
! Phe-45
assign ( segid B and resid 45 and name n ) ( segid B and resid 45 and name ca ) 
( segid B and resid 45 and name c ) ( segid B and resid 46 and name n )  1.0    110.0    80.0 2  
! Tyr-46 
assign ( segid B and resid 46 and name n ) ( segid B and resid 46 and name ca ) 
(segid B and resid 46 and name c ) ( segid B and resid 47 and name n )   1.0    175.0    40.0 2  
! Pro-47
assign ( segid B and resid 47 and name n ) ( segid B and resid 47 and name ca ) 
( segid B and resid 47 and name c ) ( segid B and resid 48 and name n )  1.0    175.0    40.0 2  
! Asn-48
assign ( segid B and resid 48 and name n ) ( segid B and resid 48 and name ca ) 
( segid B and resid 48 and name c ) ( segid B and resid 49 and name n )  1.0    130.0    50.0 2  
! Thr-49
assign ( segid B and resid 49 and name n ) ( segid B and resid 49 and name ca ) 
( segid B and resid 49 and name c ) ( segid B and resid 50 and name n )  1.0    120.0    50.0 2  
! Ile-50
assign ( segid B and resid 50 and name n ) ( segid B and resid 50 and name ca ) 
( segid B and resid 50 and name c ) ( segid B and resid 51 and name n )  1.0    130.0    40.0 2  
! Asp-51
assign ( segid B and resid 51 and name n ) ( segid B and resid 51 and name ca ) 
( segid B and resid 51 and name c ) ( segid B and resid 52 and name n )  1.0    145.0    50.0 2  
!
!
!
! CHI-1 angles
!
! Gln-3
assign ( segid B and resid 3 and name n ) ( segid B and resid 3 and name ca ) 
( segid B and resid 3 and name cb ) ( segid B and resid 3 and name cg)   1.0    -60.0    40.0 2  
! Thr-4
assign ( segid B and resid 4 and name n ) ( segid B and resid 4 and name ca ) 
( segid B and resid 4 and name cb ) ( segid B and resid 4 and name og1)  1.0     45.0    40.0 2  
! Glu-5
assign ( segid B and resid 5 and name n ) ( segid B and resid 5 and name ca ) 
( segid B and resid 5 and name cb ) ( segid B and resid 5 and name cg)   1.0    -60.0    40.0 2  
! Thr-6
assign ( segid B and resid 6 and name n ) ( segid B and resid 6 and name ca ) 
( segid B and resid 6 and name cb ) ( segid B and resid 6 and name og1)  1.0   -120.0   100.0 2  
! Cys-7
assign ( segid B and resid 7 and name n ) ( segid B and resid 7 and name ca ) 
( segid B and resid 7 and name cb ) ( segid B and resid 7 and name sg )  1.0    -60.0    40.0 2  
! Thr-8
assign ( segid B and resid 8 and name n ) ( segid B and resid 8 and name ca ) 
( segid B and resid 8 and name cb ) ( segid B and resid 8 and name og1)  1.0    180.0    30.0 2  
! Val-9
assign ( segid B and resid 9 and name n ) ( segid B and resid 9 and name ca ) 
( segid B and resid 9 and name cb ) ( segid B and resid 9 and name cg1 ) 1.0   -180.0    30.0 2  
! Pro-11
assign ( segid B and resid 11 and name n ) ( segid B and resid 11 and name ca ) 
( segid B and resid 11 and name cb ) ( segid B and resid 11 and name cg) 1.0    -45.0    30.0 2  
! Glu-13
assign ( segid B and resid 13 and name n ) ( segid B and resid 13 and name ca ) 
( segid B and resid 13 and name cb ) ( segid B and resid 13 and name cg) 1.0    -60.0    30.0 2  
! Arg-14
assign ( segid B and resid 14 and name n ) ( segid B and resid 14 and name ca ) 
( segid B and resid 14 and name cb ) ( segid B and resid 14 and name cg ) 1.0    -70.0   40.0 2  
! Glu-16
assign ( segid B and resid 16 and name n ) ( segid B and resid 16 and name ca ) 
( segid B and resid 16 and name cb ) ( segid B and resid 16 and name cg ) 1.0    190.0   30.0 2  
! Cys-17
assign ( segid B and resid 17 and name n ) ( segid B and resid 17 and name ca )  
( segid B and resid 17 and name cb ) ( segid B and resid 17 and name sg ) 1.0    180.0   30.0 2  
! Phe-19
assign ( segid B and resid 19 and name n ) ( segid B and resid 19 and name ca ) 
( segid B and resid 19 and name cb ) ( segid B and resid 19 and name cg ) 1.0     50.0   30.0 2  
! Pro-20
assign ( segid B and resid 20 and name n ) ( segid B and resid 20 and name ca ) 
( segid B and resid 20 and name cb ) ( segid B and resid 20 and name cg ) 1.0     45.0   30.0 2  
! Val-22
assign ( segid B and resid 22 and name n ) ( segid B and resid 22 and name ca )   
( segid B and resid 22 and name cb ) ( segid B and resid 22 and name cg1) 1.0    -70.0   30.0 2  
! Thr-23
assign ( segid B and resid 23 and name n ) ( segid B and resid 23 and name ca )  
( segid B and resid 23 and name cb ) ( segid B and resid 23 and name og1) 1.0     50.0   30.0 2  
! Pro-24
assign ( segid B and resid 24 and name n ) ( segid B and resid 24 and name ca ) 
( segid B and resid 24 and name cb ) ( segid B and resid 24 and name cg ) 1.0      0.0   65.0 2  
! Gln-26
assign ( segid B and resid 26 and name n ) ( segid B and resid 26 and name ca )   
( segid B and resid 26 and name cb ) ( segid B and resid 26 and name cg ) 1.0    -70.0   40.0 2  
! Cys-27
assign ( segid B and resid 27 and name n ) ( segid B and resid 27 and name ca ) 
( segid B and resid 27 and name cb ) ( segid B and resid 27 and name sg ) 1.0   -165.0   30.0 2  
! Asn-29
assign ( segid B and resid 29 and name n ) ( segid B and resid 29 and name ca ) 
( segid B and resid 29 and name cb ) ( segid B and resid 29 and name cg ) 1.0    180.0   30.0 2  
! Cys-32
assign ( segid B and resid 32 and name n ) ( segid B and resid 32 and name ca ) 
( segid B and resid 32 and name cb ) ( segid B and resid 32 and name sg ) 1.0    -60.0   35.0 2  
! Cys-33
assign ( segid B and resid 33 and name n ) ( segid B and resid 33 and name ca ) 
( segid B and resid 33 and name cb ) ( segid B and resid 33 and name sg ) 1.0    -60.0   30.0 2  
! Phe-34
assign ( segid B and resid 34 and name n ) ( segid B and resid 34 and name ca ) 
( segid B and resid 34 and name cb ) ( segid B and resid 34 and name cg ) 1.0    180.0   30.0 2  
! Asp-35
assign ( segid B and resid 35 and name n ) ( segid B and resid 35 and name ca )   
( segid B and resid 35 and name cb ) ( segid B and resid 35 and name cg ) 1.0    170.0   30.0 2  
! Asp-36
assign ( segid B and resid 36 and name n ) ( segid B and resid 36 and name ca ) 
( segid B and resid 36 and name cb ) ( segid B and resid 36 and name cg ) 1.0     60.0   30.0 2  
! Thr-37
assign ( segid B and resid 37 and name n ) ( segid B and resid 37 and name ca ) 
( segid B and resid 37 and name cb ) ( segid B and resid 37 and name og1 ) 1.0    55.0   30.0 2  
! Val-38
assign ( segid B and resid 38 and name n ) ( segid B and resid 38 and name ca ) 
( segid B and resid 38 and name cb ) ( segid B and resid 38 and name cg1 ) 1.0   180.0   35.0 2  
! Val-41
assign ( segid B and resid 41 and name n ) ( segid B and resid 41 and name ca ) 
( segid B and resid 41 and name cb ) ( segid B and resid 41 and name cg1 ) 1.0   -60.0   30.0 2  
! Pro-42
assign ( segid B and resid 42 and name n ) ( segid B and resid 42 and name ca ) 
( segid B and resid 42 and name cb ) ( segid B and resid 42 and name cg )  1.0    45.0   30.0 2  
! Trp-43
assign ( segid B and resid 43 and name n ) ( segid B and resid 43 and name ca ) 
( segid B and resid 43 and name cb ) ( segid B and resid 43 and name cg )  1.0   -60.0   35.0 2  
! Cys-44
assign ( segid B and resid 44 and name n ) ( segid B and resid 44 and name ca ) 
( segid B and resid 44 and name cb ) ( segid B and resid 44 and name sg ) 1.0    180.0   30.0 2  
! Phe-45
assign ( segid B and resid 45 and name n ) ( segid B and resid 45 and name ca ) 
( segid B and resid 45 and name cb ) ( segid B and resid 45 and name cg ) 1.0     60.0   30.0 2  
! Tyr-46
assign ( segid B and resid 46 and name n ) ( segid B and resid 46 and name ca )  
( segid B and resid 46 and name cb ) ( segid B and resid 46 and name cg ) 1.0    -60.0   35.0 2  
! Pro-47
assign ( segid B and resid 47 and name n ) ( segid B and resid 47 and name ca ) 
( segid B and resid 47 and name cb ) ( segid B and resid 47 and name cg )  1.0    45.0   30.0 2 
!
!
! CHI-2 angles
!
! Arg-14
assign ( segid B and resid 14 and name ca ) ( segid B and resid 14 and name cb ) 
( segid B and resid 14 and name cg  ) ( segid B and resid 14 and name cd  ) 1.0  180.0   30.0 2  
! Ile-50
assign ( segid B and resid 50 and name ca ) ( segid B and resid 50 and name cb ) 
( segid B and resid 50 and name cg1 ) ( segid B and resid 50 and name cd1 ) 1.0  180.0   30.0 2  
!
!
! CHI-3 angles
!
! Arg-14
assign ( segid B and resid 14 and name cb ) ( segid B and resid 14 and name cg ) 
( segid B and resid 14 and name cd  ) ( segid B and resid 14 and name ne  ) 1.0  180.0   30.0 2  
!
!
! CHI-4 angles
!
! Arg-14
assign ( segid B and resid 14 and name cg ) ( segid B and resid 14 and name cd ) 
( segid B and resid 14 and name ne  ) ( segid B and resid 14 and name cz  ) 1.0  180.0   30.0 2  
!

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           H1       GLU   1  23.442 -12.867  -3.376
    2    H2   GLU   1           H2       GLU   1  23.443 -13.359  -4.995
    3    H3   GLU   1           H3       GLU   1  22.053 -12.667  -4.321
    4    HA   GLU   1           HA       GLU   1  21.787 -15.039  -4.522
    5   1HB   GLU   1          1HB       GLU   1  24.198 -15.151  -2.697
    6   2HB   GLU   1          2HB       GLU   1  23.221 -16.532  -3.178
    7   1HG   GLU   1          1HG       GLU   1  23.861 -16.176  -5.507
    8   2HG   GLU   1          2HG       GLU   1  24.841 -14.792  -5.024
    9    H    ALA   2           H        ALA   2  21.710 -12.562  -2.438
   10    HA   ALA   2           HA       ALA   2  19.889 -13.978  -0.640
   11   1HB   ALA   2          1HB       ALA   2  22.091 -12.169   0.348
   12   2HB   ALA   2          2HB       ALA   2  20.843 -12.924   1.339
   13   3HB   ALA   2          3HB       ALA   2  22.044 -13.923   0.520
   14    H    GLN   3           H        GLN   3  18.374 -12.836  -2.057
   15    HA   GLN   3           HA       GLN   3  18.230  -9.944  -1.667
   16   1HB   GLN   3          1HB       GLN   3  16.569 -11.779  -3.404
   17   2HB   GLN   3          2HB       GLN   3  16.433 -10.026  -3.357
   18   1HG   GLN   3          1HG       GLN   3  17.705 -10.749  -5.287
   19   2HG   GLN   3          2HG       GLN   3  18.715  -9.816  -4.183
   20   2HE2  GLN   3          2HE2      GLN   3  17.786 -13.109  -3.550
   21   1HE2  GLN   3          1HE2      GLN   3  19.350 -13.806  -3.777
   22    H    THR   4           H        THR   4  16.173  -8.952  -1.071
   23    HA   THR   4           HA       THR   4  14.282 -10.630   0.369
   24    HB   THR   4           HB       THR   4  14.419  -9.288   2.429
   25    HG1  THR   4           HG1      THR   4  16.253  -7.886   0.891
   26   1HG2  THR   4          1HG2      THR   4  15.657 -11.393   2.300
   27   2HG2  THR   4          2HG2      THR   4  17.048 -10.543   1.628
   28   3HG2  THR   4          3HG2      THR   4  16.527 -10.212   3.281
   29    H    GLU   5           H        GLU   5  12.293  -9.592   0.827
   30    HA   GLU   5           HA       GLU   5  11.828  -7.223  -0.841
   31   1HB   GLU   5          1HB       GLU   5   9.864  -9.231   0.281
   32   2HB   GLU   5          2HB       GLU   5   9.448  -7.869  -0.753
   33   1HG   GLU   5          1HG       GLU   5  10.795  -8.820  -2.552
   34   2HG   GLU   5          2HG       GLU   5  11.212 -10.184  -1.518
   35    H    THR   6           H        THR   6  11.365  -5.319   0.046
   36    HA   THR   6           HA       THR   6  10.634  -5.258   2.902
   37    HB   THR   6           HB       THR   6  12.209  -3.194   1.349
   38    HG1  THR   6           HG1      THR   6  13.899  -3.892   2.786
   39   1HG2  THR   6          1HG2      THR   6  11.420  -3.295   4.263
   40   2HG2  THR   6          2HG2      THR   6  12.521  -2.118   3.544
   41   3HG2  THR   6          3HG2      THR   6  10.825  -2.153   3.057
   42    H    CYS   7           H        CYS   7   9.666  -2.944   3.414
   43    HA   CYS   7           HA       CYS   7   7.633  -2.371   1.360
   44   1HB   CYS   7          1HB       CYS   7   7.243  -2.461   4.358
   45   2HB   CYS   7          2HB       CYS   7   6.025  -1.954   3.195
   46    H    THR   8           H        THR   8  10.044  -1.147   3.418
   47    HA   THR   8           HA       THR   8   9.056   1.504   3.742
   48    HB   THR   8           HB       THR   8  10.789   0.623   5.227
   49    HG1  THR   8           HG1      THR   8  10.691   2.906   4.839
   50   1HG2  THR   8          1HG2      THR   8  12.002  -0.750   3.597
   51   2HG2  THR   8          2HG2      THR   8  12.580   0.711   2.794
   52   3HG2  THR   8          3HG2      THR   8  13.091   0.349   4.443
   53    H    VAL   9           H        VAL   9   8.359   1.601   1.393
   54    HA   VAL   9           HA       VAL   9  10.572   2.588  -0.287
   55    HB   VAL   9           HB       VAL   9   7.914   1.466  -1.185
   56   1HG1  VAL   9          1HG1      VAL   9   8.737   3.190  -2.691
   57   2HG1  VAL   9          2HG1      VAL   9  10.302   2.383  -2.784
   58   3HG1  VAL   9          3HG1      VAL   9   8.866   1.599  -3.441
   59   1HG2  VAL   9          1HG2      VAL   9   9.380  -0.267  -0.300
   60   2HG2  VAL   9          2HG2      VAL   9   9.235  -0.409  -2.052
   61   3HG2  VAL   9          3HG2      VAL   9  10.689   0.292  -1.341
   62    H    ALA  10           H        ALA  10   9.745   4.198  -1.994
   63    HA   ALA  10           HA       ALA  10   8.390   6.337  -0.575
   64   1HB   ALA  10          1HB       ALA  10  10.434   6.823  -1.834
   65   2HB   ALA  10          2HB       ALA  10   9.635   6.319  -3.322
   66   3HB   ALA  10          3HB       ALA  10   9.059   7.740  -2.451
   67    HA   PRO  11           HA       PRO  11   4.330   5.238  -2.033
   68   1HB   PRO  11          1HB       PRO  11   4.066   8.209  -1.786
   69   2HB   PRO  11          2HB       PRO  11   2.980   6.933  -1.218
   70   1HG   PRO  11          1HG       PRO  11   4.608   8.189   0.476
   71   2HG   PRO  11          2HG       PRO  11   4.295   6.451   0.628
   72   1HD   PRO  11          1HD       PRO  11   6.723   7.858  -0.345
   73   2HD   PRO  11          2HD       PRO  11   6.573   6.284   0.459
   74    H    ARG  12           H        ARG  12   5.483   8.404  -3.218
   75    HA   ARG  12           HA       ARG  12   4.155   8.506  -5.601
   76   1HB   ARG  12          1HB       ARG  12   5.975   9.948  -6.428
   77   2HB   ARG  12          2HB       ARG  12   5.504  10.355  -4.784
   78   1HG   ARG  12          1HG       ARG  12   7.440   9.132  -3.927
   79   2HG   ARG  12          2HG       ARG  12   7.914   8.735  -5.580
   80   1HD   ARG  12          1HD       ARG  12   8.147  11.121  -6.081
   81   2HD   ARG  12          2HD       ARG  12   7.675  11.513  -4.429
   82    HE   ARG  12           HE       ARG  12   9.905   9.761  -4.454
   83   1HH1  ARG  12          1HH1      ARG  12   8.997  13.080  -4.989
   84   2HH1  ARG  12          2HH1      ARG  12  10.557  13.709  -4.578
   85   1HH2  ARG  12          1HH2      ARG  12  11.964  10.579  -3.908
   86   2HH2  ARG  12          2HH2      ARG  12  12.244  12.287  -3.963
   87    H    GLU  13           H        GLU  13   6.915   6.542  -4.789
   88    HA   GLU  13           HA       GLU  13   7.124   5.630  -7.574
   89   1HB   GLU  13          1HB       GLU  13   9.024   5.236  -5.255
   90   2HB   GLU  13          2HB       GLU  13   9.286   4.653  -6.894
   91   1HG   GLU  13          1HG       GLU  13   9.308   6.954  -7.710
   92   2HG   GLU  13          2HG       GLU  13   9.045   7.538  -6.067
   93    H    ARG  14           H        ARG  14   5.999   4.710  -4.483
   94    HA   ARG  14           HA       ARG  14   6.312   1.966  -4.443
   95   1HB   ARG  14          1HB       ARG  14   3.900   3.563  -3.562
   96   2HB   ARG  14          2HB       ARG  14   4.230   1.898  -3.105
   97   1HG   ARG  14          1HG       ARG  14   6.285   2.621  -1.984
   98   2HG   ARG  14          2HG       ARG  14   5.924   4.291  -2.422
   99   1HD   ARG  14          1HD       ARG  14   3.841   4.174  -1.140
  100   2HD   ARG  14          2HD       ARG  14   4.206   2.506  -0.701
  101    HE   ARG  14           HE       ARG  14   6.368   4.064   0.090
  102   1HH1  ARG  14          1HH1      ARG  14   2.985   3.727   0.840
  103   2HH1  ARG  14          2HH1      ARG  14   3.164   4.248   2.482
  104   1HH2  ARG  14          1HH2      ARG  14   6.616   4.752   2.250
  105   2HH2  ARG  14          2HH2      ARG  14   5.229   4.832   3.284
  106    H    GLN  15           H        GLN  15   5.311   0.237  -5.373
  107    HA   GLN  15           HA       GLN  15   3.751   0.806  -7.765
  108   1HB   GLN  15          1HB       GLN  15   4.831  -1.832  -6.753
  109   2HB   GLN  15          2HB       GLN  15   4.136  -1.533  -8.341
  110   1HG   GLN  15          1HG       GLN  15   6.695  -0.394  -7.245
  111   2HG   GLN  15          2HG       GLN  15   6.527  -1.607  -8.512
  112   2HE2  GLN  15          2HE2      GLN  15   4.209  -0.202  -9.664
  113   1HE2  GLN  15          1HE2      GLN  15   4.863   1.149 -10.518
  114    H    ASN  16           H        ASN  16   1.679   1.232  -7.192
  115    HA   ASN  16           HA       ASN  16   0.189   0.358  -5.115
  116   1HB   ASN  16          1HB       ASN  16  -0.636   1.978  -6.752
  117   2HB   ASN  16          2HB       ASN  16  -0.790   0.704  -7.957
  118   2HD2  ASN  16          2HD2      ASN  16  -2.805   2.498  -6.840
  119   1HD2  ASN  16          1HD2      ASN  16  -4.031   1.481  -6.173
  120    H    CYS  17           H        CYS  17  -1.067  -1.383  -4.569
  121    HA   CYS  17           HA       CYS  17  -1.234  -3.653  -6.388
  122   1HB   CYS  17          1HB       CYS  17   0.805  -4.122  -5.159
  123   2HB   CYS  17          2HB       CYS  17  -0.008  -3.815  -3.627
  124    H    GLY  18           H        GLY  18  -2.726  -1.559  -4.458
  125   1HA   GLY  18          1HA       GLY  18  -4.432  -3.215  -2.886
  126   2HA   GLY  18          2HA       GLY  18  -5.195  -2.791  -4.410
  127    H    PHE  19           H        PHE  19  -6.567  -1.178  -4.163
  128    HA   PHE  19           HA       PHE  19  -5.982   1.399  -3.518
  129   1HB   PHE  19          1HB       PHE  19  -8.382   1.729  -3.069
  130   2HB   PHE  19          2HB       PHE  19  -8.119   0.738  -4.499
  131    HD1  PHE  19           HD1      PHE  19  -8.611  -1.653  -4.461
  132    HD2  PHE  19           HD2      PHE  19  -9.409   0.834  -1.101
  133    HE1  PHE  19           HE1      PHE  19 -10.061  -3.403  -3.515
  134    HE2  PHE  19           HE2      PHE  19 -10.860  -0.911  -0.150
  135    HZ   PHE  19           HZ       PHE  19 -11.187  -3.033  -1.357
  136    HA   PRO  20           HA       PRO  20  -5.407   1.885   0.807
  137   1HB   PRO  20          1HB       PRO  20  -6.995   4.021   1.428
  138   2HB   PRO  20          2HB       PRO  20  -5.452   4.163   0.582
  139   1HG   PRO  20          1HG       PRO  20  -8.229   4.150  -0.531
  140   2HG   PRO  20          2HG       PRO  20  -6.850   5.174  -0.973
  141   1HD   PRO  20          1HD       PRO  20  -7.587   3.048  -2.457
  142   2HD   PRO  20          2HD       PRO  20  -5.887   3.529  -2.281
  143    H    GLY  21           H        GLY  21  -8.848   2.182  -0.075
  144   1HA   GLY  21          1HA       GLY  21 -10.716   1.193   0.827
  145   2HA   GLY  21          2HA       GLY  21 -10.012   1.653   2.369
  146    H    VAL  22           H        VAL  22  -8.047  -0.440   0.560
  147    HA   VAL  22           HA       VAL  22  -9.174  -2.940   1.194
  148    HB   VAL  22           HB       VAL  22  -6.998  -3.898   0.678
  149   1HG1  VAL  22          1HG1      VAL  22  -7.700  -1.604  -1.150
  150   2HG1  VAL  22          2HG1      VAL  22  -6.704  -2.993  -1.582
  151   3HG1  VAL  22          3HG1      VAL  22  -8.407  -3.219  -1.183
  152   1HG2  VAL  22          1HG2      VAL  22  -6.008  -1.050   0.753
  153   2HG2  VAL  22          2HG2      VAL  22  -5.554  -2.358   1.845
  154   3HG2  VAL  22          3HG2      VAL  22  -5.082  -2.423   0.147
  155    H    THR  23           H        THR  23  -8.489  -4.505   2.750
  156    HA   THR  23           HA       THR  23  -7.639  -3.277   5.277
  157    HB   THR  23           HB       THR  23  -8.551  -5.282   6.371
  158    HG1  THR  23           HG1      THR  23  -9.245  -6.964   5.232
  159   1HG2  THR  23          1HG2      THR  23 -10.475  -3.990   4.432
  160   2HG2  THR  23          2HG2      THR  23 -10.925  -4.872   5.892
  161   3HG2  THR  23          3HG2      THR  23 -10.022  -3.363   6.017
  162    HA   PRO  24           HA       PRO  24  -3.712  -5.199   5.632
  163   1HB   PRO  24          1HB       PRO  24  -4.719  -6.604   8.061
  164   2HB   PRO  24          2HB       PRO  24  -3.272  -5.610   7.855
  165   1HG   PRO  24          1HG       PRO  24  -5.410  -4.644   9.113
  166   2HG   PRO  24          2HG       PRO  24  -4.451  -3.621   8.028
  167   1HD   PRO  24          1HD       PRO  24  -7.115  -4.885   7.580
  168   2HD   PRO  24          2HD       PRO  24  -6.493  -3.324   7.006
  169    H    SER  25           H        SER  25  -6.485  -7.322   6.210
  170    HA   SER  25           HA       SER  25  -5.043  -9.724   5.613
  171   1HB   SER  25          1HB       SER  25  -7.262 -10.806   5.696
  172   2HB   SER  25          2HB       SER  25  -6.986  -9.776   7.099
  173    HG   SER  25           HG       SER  25  -9.065  -9.673   5.680
  174    H    GLN  26           H        GLN  26  -7.149  -7.538   3.832
  175    HA   GLN  26           HA       GLN  26  -7.436  -9.159   1.527
  176   1HB   GLN  26          1HB       GLN  26  -7.643  -6.157   1.820
  177   2HB   GLN  26          2HB       GLN  26  -8.178  -7.077   0.420
  178   1HG   GLN  26          1HG       GLN  26  -9.806  -8.249   1.808
  179   2HG   GLN  26          2HG       GLN  26  -9.266  -7.335   3.215
  180   2HE2  GLN  26          2HE2      GLN  26  -9.496  -5.933   0.039
  181   1HE2  GLN  26          1HE2      GLN  26 -10.844  -4.904   0.371
  182    H    CYS  27           H        CYS  27  -5.382  -6.304   2.120
  183    HA   CYS  27           HA       CYS  27  -3.981  -6.353  -0.280
  184   1HB   CYS  27          1HB       CYS  27  -3.876  -4.476   1.294
  185   2HB   CYS  27          2HB       CYS  27  -2.994  -5.475   2.444
  186    H    ALA  28           H        ALA  28  -3.037  -7.789   2.844
  187    HA   ALA  28           HA       ALA  28  -0.694  -9.034   1.898
  188   1HB   ALA  28          1HB       ALA  28  -2.434  -9.830   4.231
  189   2HB   ALA  28          2HB       ALA  28  -1.132  -8.641   4.274
  190   3HB   ALA  28          3HB       ALA  28  -0.767 -10.336   3.956
  191    H    ASN  29           H        ASN  29  -4.024  -9.857   1.608
  192    HA   ASN  29           HA       ASN  29  -3.861 -12.638   1.297
  193   1HB   ASN  29          1HB       ASN  29  -5.993 -11.466   1.564
  194   2HB   ASN  29          2HB       ASN  29  -5.774 -10.684   0.002
  195   2HD2  ASN  29          2HD2      ASN  29  -6.511 -13.648   1.649
  196   1HD2  ASN  29          1HD2      ASN  29  -7.107 -14.504   0.271
  197    H    LYS  30           H        LYS  30  -2.777 -10.096  -0.713
  198    HA   LYS  30           HA       LYS  30  -2.601 -11.868  -3.046
  199   1HB   LYS  30          1HB       LYS  30  -3.600  -9.671  -3.449
  200   2HB   LYS  30          2HB       LYS  30  -2.159  -8.885  -2.818
  201   1HG   LYS  30          1HG       LYS  30  -2.193  -8.838  -5.244
  202   2HG   LYS  30          2HG       LYS  30  -0.842  -9.806  -4.651
  203   1HD   LYS  30          1HD       LYS  30  -1.949 -10.894  -6.539
  204   2HD   LYS  30          2HD       LYS  30  -2.119 -11.848  -5.064
  205   1HE   LYS  30          1HE       LYS  30  -4.216 -11.772  -6.306
  206   2HE   LYS  30          2HE       LYS  30  -4.372 -10.966  -4.745
  207   1HZ   LYS  30          1HZ       LYS  30  -3.961  -9.611  -7.358
  208   2HZ   LYS  30          2HZ       LYS  30  -5.421  -9.693  -6.508
  209   3HZ   LYS  30          3HZ       LYS  30  -4.113  -8.837  -5.861
  210    H    GLY  31           H        GLY  31  -0.705 -10.258  -0.629
  211   1HA   GLY  31          1HA       GLY  31   1.703 -11.505  -1.779
  212   2HA   GLY  31          2HA       GLY  31   1.467 -11.139  -0.077
  213    H    CYS  32           H        CYS  32   0.435  -8.472  -0.532
  214    HA   CYS  32           HA       CYS  32   2.920  -7.153  -1.410
  215   1HB   CYS  32          1HB       CYS  32   0.077  -6.152  -1.647
  216   2HB   CYS  32          2HB       CYS  32   1.506  -5.190  -2.007
  217    H    CYS  33           H        CYS  33   2.934  -4.793  -0.481
  218    HA   CYS  33           HA       CYS  33   2.837  -5.084   2.401
  219   1HB   CYS  33          1HB       CYS  33   3.841  -2.819   0.666
  220   2HB   CYS  33          2HB       CYS  33   4.003  -2.898   2.417
  221    H    PHE  34           H        PHE  34   1.851  -3.513   3.797
  222    HA   PHE  34           HA       PHE  34  -0.319  -1.955   2.578
  223   1HB   PHE  34          1HB       PHE  34  -1.276  -4.085   3.366
  224   2HB   PHE  34          2HB       PHE  34  -0.638  -3.771   4.977
  225    HD1  PHE  34           HD1      PHE  34  -3.383  -3.324   2.767
  226    HD2  PHE  34           HD2      PHE  34  -1.449  -1.657   6.171
  227    HE1  PHE  34           HE1      PHE  34  -5.446  -2.110   3.340
  228    HE2  PHE  34           HE2      PHE  34  -3.507  -0.441   6.751
  229    HZ   PHE  34           HZ       PHE  34  -5.509  -0.667   5.335
  230    H    ASP  35           H        ASP  35   0.223   0.076   3.064
  231    HA   ASP  35           HA       ASP  35   0.931   0.679   5.859
  232   1HB   ASP  35          1HB       ASP  35   2.915   0.910   4.444
  233   2HB   ASP  35          2HB       ASP  35   2.039   1.991   3.367
  234    H    ASP  36           H        ASP  36  -0.916   1.517   6.637
  235    HA   ASP  36           HA       ASP  36  -2.425   3.426   5.018
  236   1HB   ASP  36          1HB       ASP  36  -4.164   3.204   6.751
  237   2HB   ASP  36          2HB       ASP  36  -3.706   1.641   6.085
  238    H    THR  37           H        THR  37   0.200   3.993   6.342
  239    HA   THR  37           HA       THR  37  -0.513   5.947   8.379
  240    HB   THR  37           HB       THR  37   1.914   6.290   8.625
  241    HG1  THR  37           HG1      THR  37   3.054   4.414   7.331
  242   1HG2  THR  37          1HG2      THR  37   0.832   4.519   9.917
  243   2HG2  THR  37          2HG2      THR  37   1.105   3.379   8.599
  244   3HG2  THR  37          3HG2      THR  37   2.476   4.059   9.476
  245    H    VAL  38           H        VAL  38   0.556   5.807   5.053
  246    HA   VAL  38           HA       VAL  38   0.774   8.729   4.950
  247    HB   VAL  38           HB       VAL  38   1.522   6.675   2.865
  248   1HG1  VAL  38          1HG1      VAL  38   0.898   8.804   1.865
  249   2HG1  VAL  38          2HG1      VAL  38   2.000   9.653   2.949
  250   3HG1  VAL  38          3HG1      VAL  38   2.637   8.544   1.734
  251   1HG2  VAL  38          1HG2      VAL  38   3.248   8.291   4.739
  252   2HG2  VAL  38          2HG2      VAL  38   2.965   6.553   4.821
  253   3HG2  VAL  38          3HG2      VAL  38   3.837   7.240   3.451
  254    H    ARG  39           H        ARG  39  -0.891   9.883   4.258
  255    HA   ARG  39           HA       ARG  39  -3.087   8.559   2.874
  256   1HB   ARG  39          1HB       ARG  39  -2.856  11.365   3.978
  257   2HB   ARG  39          2HB       ARG  39  -4.310  10.668   3.275
  258   1HG   ARG  39          1HG       ARG  39  -4.379   8.997   5.046
  259   2HG   ARG  39          2HG       ARG  39  -2.905   9.671   5.745
  260   1HD   ARG  39          1HD       ARG  39  -4.053  11.799   6.113
  261   2HD   ARG  39          2HD       ARG  39  -5.525  11.130   5.408
  262    HE   ARG  39           HE       ARG  39  -4.984   9.407   7.412
  263   1HH1  ARG  39          1HH1      ARG  39  -5.225  12.878   7.270
  264   2HH1  ARG  39          2HH1      ARG  39  -5.777  13.038   8.903
  265   1HH2  ARG  39          1HH2      ARG  39  -5.710   9.605   9.566
  266   2HH2  ARG  39          2HH2      ARG  39  -6.052  11.176  10.210
  267    H    GLY  40           H        GLY  40  -4.041   9.459   0.951
  268   1HA   GLY  40          1HA       GLY  40  -2.377  11.296  -0.596
  269   2HA   GLY  40          2HA       GLY  40  -3.997  10.759  -1.015
  270    H    VAL  41           H        VAL  41  -1.155   8.818  -0.171
  271    HA   VAL  41           HA       VAL  41  -0.934   7.895  -2.931
  272    HB   VAL  41           HB       VAL  41   1.115   6.768  -2.211
  273   1HG1  VAL  41          1HG1      VAL  41   1.256   9.087  -2.934
  274   2HG1  VAL  41          2HG1      VAL  41   0.955   9.633  -1.285
  275   3HG1  VAL  41          3HG1      VAL  41   2.437   8.757  -1.667
  276   1HG2  VAL  41          1HG2      VAL  41   0.462   7.874   0.521
  277   2HG2  VAL  41          2HG2      VAL  41   0.447   6.172   0.055
  278   3HG2  VAL  41          3HG2      VAL  41   1.966   7.069   0.071
  279    HA   PRO  42           HA       PRO  42  -2.735   3.918  -2.366
  280   1HB   PRO  42          1HB       PRO  42  -0.895   2.173  -3.352
  281   2HB   PRO  42          2HB       PRO  42  -1.859   3.241  -4.378
  282   1HG   PRO  42          1HG       PRO  42   0.957   3.571  -3.416
  283   2HG   PRO  42          2HG       PRO  42   0.281   3.878  -5.027
  284   1HD   PRO  42          1HD       PRO  42   0.760   5.864  -3.256
  285   2HD   PRO  42          2HD       PRO  42  -0.587   5.925  -4.412
  286    H    TRP  43           H        TRP  43  -3.057   2.980  -0.456
  287    HA   TRP  43           HA       TRP  43  -1.038   2.718   1.519
  288   1HB   TRP  43          1HB       TRP  43  -3.792   1.474   1.377
  289   2HB   TRP  43          2HB       TRP  43  -2.764   1.495   2.807
  290    HD1  TRP  43           HD1      TRP  43  -2.067   4.734   1.618
  291    HE1  TRP  43           HE1      TRP  43  -3.655   6.527   2.559
  292    HE3  TRP  43           HE3      TRP  43  -5.821   1.694   3.294
  293    HZ2  TRP  43           HZ2      TRP  43  -6.167   6.638   3.841
  294    HZ3  TRP  43           HZ3      TRP  43  -7.781   2.724   4.367
  295    HH2  TRP  43           HH2      TRP  43  -7.950   5.145   4.634
  296    H    CYS  44           H        CYS  44  -2.652   0.387  -0.615
  297    HA   CYS  44           HA       CYS  44  -0.803  -1.700   0.276
  298   1HB   CYS  44          1HB       CYS  44  -3.192  -2.274   0.171
  299   2HB   CYS  44          2HB       CYS  44  -3.215  -1.872  -1.543
  300    H    PHE  45           H        PHE  45   1.012  -2.025  -0.815
  301    HA   PHE  45           HA       PHE  45   1.035  -1.789  -3.717
  302   1HB   PHE  45          1HB       PHE  45   3.065  -0.372  -3.687
  303   2HB   PHE  45          2HB       PHE  45   1.665   0.448  -3.004
  304    HD1  PHE  45           HD1      PHE  45   4.925  -1.043  -2.292
  305    HD2  PHE  45           HD2      PHE  45   1.555   0.971  -0.651
  306    HE1  PHE  45           HE1      PHE  45   6.207  -0.574  -0.246
  307    HE2  PHE  45           HE2      PHE  45   2.830   1.445   1.398
  308    HZ   PHE  45           HZ       PHE  45   5.159   0.671   1.604
  309    H    TYR  46           H        TYR  46   2.936  -2.740  -4.701
  310    HA   TYR  46           HA       TYR  46   3.664  -5.183  -3.505
  311   1HB   TYR  46          1HB       TYR  46   4.951  -3.728  -5.825
  312   2HB   TYR  46          2HB       TYR  46   5.225  -5.415  -5.406
  313    HD1  TYR  46           HD1      TYR  46   2.768  -3.010  -6.723
  314    HD2  TYR  46           HD2      TYR  46   3.624  -7.108  -5.967
  315    HE1  TYR  46           HE1      TYR  46   0.854  -3.662  -8.122
  316    HE2  TYR  46           HE2      TYR  46   1.712  -7.771  -7.364
  317    HH   TYR  46           HH       TYR  46   0.097  -5.608  -9.419
  318    HA   PRO  47           HA       PRO  47   7.192  -4.200  -1.069
  319   1HB   PRO  47          1HB       PRO  47   8.749  -6.389  -1.408
  320   2HB   PRO  47          2HB       PRO  47   7.246  -6.424  -0.480
  321   1HG   PRO  47          1HG       PRO  47   7.752  -7.289  -3.301
  322   2HG   PRO  47          2HG       PRO  47   6.802  -8.092  -2.039
  323   1HD   PRO  47          1HD       PRO  47   5.671  -6.611  -4.013
  324   2HD   PRO  47          2HD       PRO  47   4.965  -6.749  -2.390
  325    H    ASN  48           H        ASN  48   9.834  -4.897  -1.403
  326    HA   ASN  48           HA       ASN  48  10.642  -3.821  -4.005
  327   1HB   ASN  48          1HB       ASN  48  12.223  -2.267  -2.932
  328   2HB   ASN  48          2HB       ASN  48  10.556  -1.894  -2.502
  329   2HD2  ASN  48          2HD2      ASN  48  11.177  -0.812  -0.641
  330   1HD2  ASN  48          1HD2      ASN  48  11.754  -1.642   0.760
  331    H    THR  49           H        THR  49  12.528  -4.638  -4.790
  332    HA   THR  49           HA       THR  49  13.715  -6.836  -3.283
  333    HB   THR  49           HB       THR  49  14.858  -7.412  -5.388
  334    HG1  THR  49           HG1      THR  49  13.348  -5.456  -6.741
  335   1HG2  THR  49          1HG2      THR  49  12.631  -8.326  -4.960
  336   2HG2  THR  49          2HG2      THR  49  11.897  -6.915  -5.721
  337   3HG2  THR  49          3HG2      THR  49  12.868  -8.030  -6.683
  338    H    ILE  50           H        ILE  50  15.534  -6.596  -2.175
  339    HA   ILE  50           HA       ILE  50  17.519  -4.633  -3.084
  340    HB   ILE  50           HB       ILE  50  16.562  -4.899  -0.232
  341   1HG1  ILE  50          1HG1      ILE  50  16.374  -2.604  -2.198
  342   2HG1  ILE  50          2HG1      ILE  50  15.034  -3.607  -1.653
  343   1HG2  ILE  50          1HG2      ILE  50  18.740  -3.173  -1.402
  344   2HG2  ILE  50          2HG2      ILE  50  18.156  -3.100   0.260
  345   3HG2  ILE  50          3HG2      ILE  50  18.964  -4.554  -0.327
  346   1HD1  ILE  50          1HD1      ILE  50  16.681  -1.774   0.072
  347   2HD1  ILE  50          2HD1      ILE  50  15.050  -1.463  -0.521
  348   3HD1  ILE  50          3HD1      ILE  50  15.337  -2.777   0.619
  349    H    ASP  51           H        ASP  51  19.665  -5.103  -2.527
  350    HA   ASP  51           HA       ASP  51  20.108  -7.781  -1.381
  351   1HB   ASP  51          1HB       ASP  51  20.466  -7.852  -3.801
  352   2HB   ASP  51          2HB       ASP  51  21.593  -6.504  -3.688
  353    H    VAL  52           H        VAL  52  22.624  -7.985  -0.920
  354    HA   VAL  52           HA       VAL  52  23.620  -5.502   0.280
  355    HB   VAL  52           HB       VAL  52  24.207  -6.645   2.361
  356   1HG1  VAL  52          1HG1      VAL  52  22.094  -5.444   2.253
  357   2HG1  VAL  52          2HG1      VAL  52  21.282  -6.895   1.662
  358   3HG1  VAL  52          3HG1      VAL  52  21.950  -6.860   3.295
  359   1HG2  VAL  52          1HG2      VAL  52  22.703  -8.991   1.202
  360   2HG2  VAL  52          2HG2      VAL  52  24.439  -8.911   1.507
  361   3HG2  VAL  52          3HG2      VAL  52  23.303  -8.874   2.856
  362    HA   PRO  53           HA       PRO  53  26.971  -7.691  -1.996
  363   1HB   PRO  53          1HB       PRO  53  28.126  -5.438  -2.959
  364   2HB   PRO  53          2HB       PRO  53  26.745  -6.213  -3.744
  365   1HG   PRO  53          1HG       PRO  53  26.799  -3.845  -1.914
  366   2HG   PRO  53          2HG       PRO  53  25.880  -4.080  -3.413
  367   1HD   PRO  53          1HD       PRO  53  24.780  -4.388  -0.952
  368   2HD   PRO  53          2HD       PRO  53  24.248  -5.320  -2.366
  369    HA   PRO  54           HA       PRO  54  29.631  -7.012   1.553
  370   1HB   PRO  54          1HB       PRO  54  31.338  -9.027   0.283
  371   2HB   PRO  54          2HB       PRO  54  30.492  -9.095   1.830
  372   1HG   PRO  54          1HG       PRO  54  29.738 -10.586  -0.288
  373   2HG   PRO  54          2HG       PRO  54  28.574  -9.961   0.895
  374   1HD   PRO  54          1HD       PRO  54  29.238  -8.929  -1.839
  375   2HD   PRO  54          2HD       PRO  54  27.655  -9.085  -1.047
  376    H    GLU  55           H        GLU  55  32.143  -6.871   1.754
  377    HA   GLU  55           HA       GLU  55  33.644  -6.012  -0.492
  378   1HB   GLU  55          1HB       GLU  55  33.858  -3.633   0.086
  379   2HB   GLU  55          2HB       GLU  55  32.209  -4.050  -0.355
  380   1HG   GLU  55          1HG       GLU  55  31.594  -4.128   2.006
  381   2HG   GLU  55          2HG       GLU  55  33.248  -3.710   2.448
  382    H    GLU  56           H        GLU  56  33.198  -6.519   2.862
  383    HA   GLU  56           HA       GLU  56  35.962  -7.106   3.254
  384   1HB   GLU  56          1HB       GLU  56  34.820  -4.666   4.624
  385   2HB   GLU  56          2HB       GLU  56  36.329  -5.445   5.079
  386   1HG   GLU  56          1HG       GLU  56  35.748  -4.221   2.391
  387   2HG   GLU  56          2HG       GLU  56  36.668  -3.456   3.687
  388    H    GLU  57           H        GLU  57  32.734  -6.681   4.493
  389    HA   GLU  57           HA       GLU  57  33.097  -8.985   6.222
  390   1HB   GLU  57          1HB       GLU  57  32.161  -6.324   7.309
  391   2HB   GLU  57          2HB       GLU  57  32.142  -7.844   8.191
  392   1HG   GLU  57          1HG       GLU  57  34.576  -7.964   8.041
  393   2HG   GLU  57          2HG       GLU  57  34.595  -6.438   7.157
  394    H    CYS  58           H        CYS  58  30.557  -7.939   7.621
  395    HA   CYS  58           HA       CYS  58  28.633  -8.350   5.448
  396   1HB   CYS  58          1HB       CYS  58  28.992 -10.554   6.432
  397   2HB   CYS  58          2HB       CYS  58  28.676  -9.912   8.040
  398    H    GLU  59           H        GLU  59  29.636  -6.468   7.901
  399    HA   GLU  59           HA       GLU  59  26.985  -5.737   8.887
  400   1HB   GLU  59          1HB       GLU  59  29.723  -4.713   9.662
  401   2HB   GLU  59          2HB       GLU  59  28.211  -4.255  10.435
  402   1HG   GLU  59          1HG       GLU  59  29.402  -7.019  10.372
  403   2HG   GLU  59          2HG       GLU  59  29.406  -5.913  11.744
  404    H    PHE  60           H        PHE  60  27.795  -5.234   6.110
  405    HA   PHE  60           HA       PHE  60  27.914  -2.303   6.049
  406   1HB   PHE  60          1HB       PHE  60  28.283  -4.318   3.822
  407   2HB   PHE  60          2HB       PHE  60  28.437  -2.572   3.651
  408    HD1  PHE  60           HD1      PHE  60  30.374  -1.410   4.462
  409    HD2  PHE  60           HD2      PHE  60  29.959  -5.607   5.024
  410    HE1  PHE  60           HE1      PHE  60  32.754  -1.560   5.071
  411    HE2  PHE  60           HE2      PHE  60  32.337  -5.764   5.636
  412    HZ   PHE  60           HZ       PHE  60  33.738  -3.738   5.660
  413    H1   GLU   1           H1       GLU   1   3.726 -14.084   6.986
  414    H2   GLU   1           H2       GLU   1   2.240 -13.719   7.708
  415    H3   GLU   1           H3       GLU   1   3.151 -12.493   6.983
  416    HA   GLU   1           HA       GLU   1   3.338 -12.365   9.366
  417   1HB   GLU   1          1HB       GLU   1   4.468 -15.161   9.114
  418   2HB   GLU   1          2HB       GLU   1   4.457 -14.201  10.587
  419   1HG   GLU   1          1HG       GLU   1   2.039 -15.188   9.093
  420   2HG   GLU   1          2HG       GLU   1   2.673 -15.838  10.604
  421    H    ALA   2           H        ALA   2   5.188 -11.448  10.220
  422    HA   ALA   2           HA       ALA   2   7.563 -11.550   8.478
  423   1HB   ALA   2          1HB       ALA   2   6.612  -9.252  10.185
  424   2HB   ALA   2          2HB       ALA   2   8.043  -9.259   9.154
  425   3HB   ALA   2          3HB       ALA   2   6.438  -9.375   8.435
  426    H    GLN   3           H        GLN   3   8.597  -9.707  10.821
  427    HA   GLN   3           HA       GLN   3  10.004 -11.838  12.153
  428   1HB   GLN   3          1HB       GLN   3  10.084  -8.844  12.560
  429   2HB   GLN   3          2HB       GLN   3  11.161  -9.992  13.343
  430   1HG   GLN   3          1HG       GLN   3  10.940  -9.553  10.374
  431   2HG   GLN   3          2HG       GLN   3  12.201  -8.899  11.418
  432   2HE2  GLN   3          2HE2      GLN   3  13.830  -9.953  10.299
  433   1HE2  GLN   3          1HE2      GLN   3  14.079 -11.659  10.415
  434    H    THR   4           H        THR   4   9.753 -12.566  14.198
  435    HA   THR   4           HA       THR   4   7.696 -11.326  15.885
  436    HB   THR   4           HB       THR   4   6.701 -13.504  16.386
  437    HG1  THR   4           HG1      THR   4   7.770 -14.855  14.269
  438   1HG2  THR   4          1HG2      THR   4   6.807 -12.927  13.422
  439   2HG2  THR   4          2HG2      THR   4   5.579 -13.895  14.237
  440   3HG2  THR   4          3HG2      THR   4   5.718 -12.173  14.586
  441    H    GLU   5           H        GLU   5   7.689 -13.467  17.775
  442    HA   GLU   5           HA       GLU   5   9.579 -12.634  19.555
  443   1HB   GLU   5          1HB       GLU   5   8.390 -15.404  19.369
  444   2HB   GLU   5          2HB       GLU   5   9.181 -14.732  20.788
  445   1HG   GLU   5          1HG       GLU   5   7.459 -13.010  20.938
  446   2HG   GLU   5          2HG       GLU   5   6.665 -13.682  19.514
  447    H    THR   6           H        THR   6  11.027 -14.641  20.585
  448    HA   THR   6           HA       THR   6  13.007 -15.341  18.559
  449    HB   THR   6           HB       THR   6  13.636 -13.444  20.819
  450    HG1  THR   6           HG1      THR   6  13.079 -11.962  19.419
  451   1HG2  THR   6          1HG2      THR   6  15.358 -14.523  18.585
  452   2HG2  THR   6          2HG2      THR   6  15.842 -13.270  19.727
  453   3HG2  THR   6          3HG2      THR   6  15.509 -14.904  20.300
  454    H    CYS   7           H        CYS   7  15.122 -16.054  19.885
  455    HA   CYS   7           HA       CYS   7  14.288 -18.227  21.582
  456   1HB   CYS   7          1HB       CYS   7  17.079 -17.278  20.892
  457   2HB   CYS   7          2HB       CYS   7  16.664 -18.814  21.641
  458    H    THR   8           H        THR   8  14.869 -14.996  22.091
  459    HA   THR   8           HA       THR   8  16.077 -15.263  24.718
  460    HB   THR   8           HB       THR   8  16.722 -13.344  23.358
  461    HG1  THR   8           HG1      THR   8  15.551 -11.755  25.074
  462   1HG2  THR   8          1HG2      THR   8  14.655 -13.073  22.081
  463   2HG2  THR   8          2HG2      THR   8  13.817 -12.534  23.536
  464   3HG2  THR   8          3HG2      THR   8  15.118 -11.558  22.855
  465    H    VAL   9           H        VAL   9  14.186 -16.675  25.354
  466    HA   VAL   9           HA       VAL   9  11.724 -15.238  25.934
  467    HB   VAL   9           HB       VAL   9  12.470 -18.108  26.521
  468   1HG1  VAL   9          1HG1      VAL   9   9.803 -16.703  26.647
  469   2HG1  VAL   9          2HG1      VAL   9  10.064 -18.434  26.867
  470   3HG1  VAL   9          3HG1      VAL   9  10.740 -17.287  28.022
  471   1HG2  VAL   9          1HG2      VAL   9  12.411 -17.660  24.129
  472   2HG2  VAL   9          2HG2      VAL   9  11.034 -18.653  24.610
  473   3HG2  VAL   9          3HG2      VAL   9  10.812 -16.933  24.290
  474    H    ALA  10           H        ALA  10  10.753 -15.516  28.141
  475    HA   ALA  10           HA       ALA  10  12.203 -14.257  30.095
  476   1HB   ALA  10          1HB       ALA  10   9.988 -16.256  30.535
  477   2HB   ALA  10          2HB       ALA  10  10.537 -15.046  31.695
  478   3HB   ALA  10          3HB       ALA  10   9.779 -14.541  30.184
  479    HA   PRO  11           HA       PRO  11  15.463 -17.200  30.980
  480   1HB   PRO  11          1HB       PRO  11  15.420 -15.523  33.459
  481   2HB   PRO  11          2HB       PRO  11  16.798 -16.056  32.487
  482   1HG   PRO  11          1HG       PRO  11  15.869 -13.567  32.281
  483   2HG   PRO  11          2HG       PRO  11  16.441 -14.451  30.855
  484   1HD   PRO  11          1HD       PRO  11  13.669 -13.775  31.677
  485   2HD   PRO  11          2HD       PRO  11  14.341 -14.017  30.052
  486    H    ARG  12           H        ARG  12  13.160 -16.211  33.515
  487    HA   ARG  12           HA       ARG  12  13.477 -18.634  34.997
  488   1HB   ARG  12          1HB       ARG  12  11.335 -16.507  35.165
  489   2HB   ARG  12          2HB       ARG  12  11.579 -17.796  36.336
  490   1HG   ARG  12          1HG       ARG  12  13.541 -15.606  35.685
  491   2HG   ARG  12          2HG       ARG  12  12.521 -15.699  37.122
  492   1HD   ARG  12          1HD       ARG  12  14.667 -17.668  36.336
  493   2HD   ARG  12          2HD       ARG  12  14.797 -16.445  37.600
  494    HE   ARG  12           HE       ARG  12  12.566 -18.027  38.157
  495   1HH1  ARG  12          1HH1      ARG  12  16.031 -18.325  37.983
  496   2HH1  ARG  12          2HH1      ARG  12  16.112 -19.587  39.168
  497   1HH2  ARG  12          1HH2      ARG  12  12.661 -19.686  39.718
  498   2HH2  ARG  12          2HH2      ARG  12  14.195 -20.361  40.153
  499    H    GLU  13           H        GLU  13  11.351 -17.533  32.465
  500    HA   GLU  13           HA       GLU  13   9.582 -19.828  32.796
  501   1HB   GLU  13          1HB       GLU  13   9.484 -17.533  30.831
  502   2HB   GLU  13          2HB       GLU  13   8.260 -18.785  30.989
  503   1HG   GLU  13          1HG       GLU  13   7.804 -18.053  33.273
  504   2HG   GLU  13          2HG       GLU  13   9.034 -16.800  33.116
  505    H    ARG  14           H        ARG  14  12.463 -19.199  31.292
  506    HA   ARG  14           HA       ARG  14  12.193 -20.342  28.755
  507   1HB   ARG  14          1HB       ARG  14  14.584 -20.385  30.606
  508   2HB   ARG  14          2HB       ARG  14  14.628 -20.769  28.892
  509   1HG   ARG  14          1HG       ARG  14  13.896 -18.489  28.370
  510   2HG   ARG  14          2HG       ARG  14  13.888 -18.109  30.093
  511   1HD   ARG  14          1HD       ARG  14  16.283 -18.590  30.210
  512   2HD   ARG  14          2HD       ARG  14  16.292 -18.975  28.489
  513    HE   ARG  14           HE       ARG  14  15.265 -16.404  28.765
  514   1HH1  ARG  14          1HH1      ARG  14  18.252 -18.100  29.335
  515   2HH1  ARG  14          2HH1      ARG  14  19.245 -16.705  29.074
  516   1HH2  ARG  14          1HH2      ARG  14  16.563 -14.560  28.418
  517   2HH2  ARG  14          2HH2      ARG  14  18.285 -14.691  28.553
  518    H    GLN  15           H        GLN  15  11.806 -22.347  28.095
  519    HA   GLN  15           HA       GLN  15  11.545 -24.471  30.024
  520   1HB   GLN  15          1HB       GLN  15   9.921 -24.224  28.200
  521   2HB   GLN  15          2HB       GLN  15  11.197 -24.489  27.021
  522   1HG   GLN  15          1HG       GLN  15   9.862 -26.489  27.336
  523   2HG   GLN  15          2HG       GLN  15  11.525 -26.748  27.860
  524   2HE2  GLN  15          2HE2      GLN  15   9.244 -24.911  29.733
  525   1HE2  GLN  15          1HE2      GLN  15   9.063 -26.058  31.013
  526    H    ASN  16           H        ASN  16  13.495 -25.142  30.769
  527    HA   ASN  16           HA       ASN  16  15.935 -25.253  29.699
  528   1HB   ASN  16          1HB       ASN  16  15.438 -26.119  31.932
  529   2HB   ASN  16          2HB       ASN  16  14.650 -27.527  31.227
  530   2HD2  ASN  16          2HD2      ASN  16  17.675 -25.947  31.861
  531   1HD2  ASN  16          1HD2      ASN  16  18.689 -27.303  31.520
  532    H    CYS  17           H        CYS  17  17.198 -26.655  28.441
  533    HA   CYS  17           HA       CYS  17  15.747 -28.637  26.833
  534   1HB   CYS  17          1HB       CYS  17  15.892 -26.667  25.435
  535   2HB   CYS  17          2HB       CYS  17  17.613 -26.508  25.771
  536    H    GLY  18           H        GLY  18  18.078 -28.174  28.992
  537   1HA   GLY  18          1HA       GLY  18  20.382 -29.376  27.928
  538   2HA   GLY  18          2HA       GLY  18  19.349 -30.643  28.572
  539    H    PHE  19           H        PHE  19  22.003 -29.198  29.339
  540    HA   PHE  19           HA       PHE  19  21.363 -29.070  32.204
  541   1HB   PHE  19          1HB       PHE  19  23.789 -29.490  32.552
  542   2HB   PHE  19          2HB       PHE  19  22.986 -30.783  31.669
  543    HD1  PHE  19           HD1      PHE  19  23.303 -30.964  29.208
  544    HD2  PHE  19           HD2      PHE  19  25.568 -28.271  31.599
  545    HE1  PHE  19           HE1      PHE  19  24.969 -30.773  27.407
  546    HE2  PHE  19           HE2      PHE  19  27.238 -28.073  29.803
  547    HZ   PHE  19           HZ       PHE  19  26.939 -29.326  27.703
  548    HA   PRO  20           HA       PRO  20  22.406 -24.834  32.615
  549   1HB   PRO  20          1HB       PRO  20  24.066 -24.776  34.780
  550   2HB   PRO  20          2HB       PRO  20  22.320 -25.024  34.896
  551   1HG   PRO  20          1HG       PRO  20  24.529 -27.043  34.955
  552   2HG   PRO  20          2HG       PRO  20  23.070 -26.951  35.957
  553   1HD   PRO  20          1HD       PRO  20  23.265 -28.638  33.862
  554   2HD   PRO  20          2HD       PRO  20  21.729 -27.868  34.312
  555    H    GLY  21           H        GLY  21  25.145 -27.049  32.610
  556   1HA   GLY  21          1HA       GLY  21  27.376 -26.686  32.060
  557   2HA   GLY  21          2HA       GLY  21  27.044 -24.964  31.962
  558    H    VAL  22           H        VAL  22  24.723 -26.500  30.190
  559    HA   VAL  22           HA       VAL  22  25.838 -27.385  27.859
  560    HB   VAL  22           HB       VAL  22  23.804 -26.631  26.689
  561   1HG1  VAL  22          1HG1      VAL  22  23.359 -27.829  29.419
  562   2HG1  VAL  22          2HG1      VAL  22  22.175 -27.837  28.113
  563   3HG1  VAL  22          3HG1      VAL  22  23.702 -28.697  27.922
  564   1HG2  VAL  22          1HG2      VAL  22  23.264 -25.173  29.271
  565   2HG2  VAL  22          2HG2      VAL  22  23.469 -24.469  27.668
  566   3HG2  VAL  22          3HG2      VAL  22  22.052 -25.459  28.022
  567    H    THR  23           H        THR  23  26.449 -26.477  25.894
  568    HA   THR  23           HA       THR  23  27.031 -23.587  25.953
  569    HB   THR  23           HB       THR  23  29.055 -24.041  24.615
  570    HG1  THR  23           HG1      THR  23  28.395 -26.058  23.720
  571   1HG2  THR  23          1HG2      THR  23  29.246 -23.862  27.049
  572   2HG2  THR  23          2HG2      THR  23  28.950 -25.594  27.204
  573   3HG2  THR  23          3HG2      THR  23  30.413 -25.017  26.406
  574    HA   PRO  24           HA       PRO  24  25.312 -22.893  21.948
  575   1HB   PRO  24          1HB       PRO  24  27.522 -22.435  20.304
  576   2HB   PRO  24          2HB       PRO  24  26.682 -21.216  21.267
  577   1HG   PRO  24          1HG       PRO  24  29.187 -22.720  21.873
  578   2HG   PRO  24          2HG       PRO  24  28.774 -21.033  22.230
  579   1HD   PRO  24          1HD       PRO  24  28.723 -22.906  24.139
  580   2HD   PRO  24          2HD       PRO  24  27.510 -21.609  24.093
  581    H    SER  25           H        SER  25  28.261 -24.872  21.705
  582    HA   SER  25           HA       SER  25  27.312 -26.295  19.400
  583   1HB   SER  25          1HB       SER  25  29.333 -27.683  19.710
  584   2HB   SER  25          2HB       SER  25  29.712 -25.961  19.752
  585    HG   SER  25           HG       SER  25  29.363 -26.354  22.177
  586    H    GLN  26           H        GLN  26  27.722 -27.068  22.845
  587    HA   GLN  26           HA       GLN  26  26.875 -29.721  22.764
  588   1HB   GLN  26          1HB       GLN  26  26.508 -27.700  24.984
  589   2HB   GLN  26          2HB       GLN  26  26.356 -29.443  25.162
  590   1HG   GLN  26          1HG       GLN  26  28.857 -27.963  24.376
  591   2HG   GLN  26          2HG       GLN  26  28.508 -28.642  25.965
  592   2HE2  GLN  26          2HE2      GLN  26  27.201 -30.992  24.805
  593   1HE2  GLN  26          1HE2      GLN  26  28.475 -32.002  24.224
  594    H    CYS  27           H        CYS  27  24.968 -26.785  23.395
  595    HA   CYS  27           HA       CYS  27  22.491 -28.046  23.721
  596   1HB   CYS  27          1HB       CYS  27  22.963 -25.689  24.333
  597   2HB   CYS  27          2HB       CYS  27  23.023 -25.277  22.622
  598    H    ALA  28           H        ALA  28  23.750 -26.370  20.827
  599    HA   ALA  28           HA       ALA  28  21.816 -26.892  19.000
  600   1HB   ALA  28          1HB       ALA  28  23.868 -25.658  18.492
  601   2HB   ALA  28          2HB       ALA  28  24.780 -27.168  18.505
  602   3HB   ALA  28          3HB       ALA  28  23.542 -26.897  17.278
  603    H    ASN  29           H        ASN  29  24.167 -29.171  20.278
  604    HA   ASN  29           HA       ASN  29  23.853 -31.326  18.591
  605   1HB   ASN  29          1HB       ASN  29  25.440 -31.306  20.460
  606   2HB   ASN  29          2HB       ASN  29  24.106 -31.371  21.608
  607   2HD2  ASN  29          2HD2      ASN  29  26.339 -33.204  21.214
  608   1HD2  ASN  29          1HD2      ASN  29  25.637 -34.750  20.898
  609    H    LYS  30           H        LYS  30  21.727 -30.197  21.155
  610    HA   LYS  30           HA       LYS  30  19.840 -32.362  20.699
  611   1HB   LYS  30          1HB       LYS  30  19.665 -29.946  22.510
  612   2HB   LYS  30          2HB       LYS  30  18.516 -31.275  22.473
  613   1HG   LYS  30          1HG       LYS  30  21.417 -31.457  23.252
  614   2HG   LYS  30          2HG       LYS  30  20.033 -31.501  24.344
  615   1HD   LYS  30          1HD       LYS  30  20.610 -33.509  22.166
  616   2HD   LYS  30          2HD       LYS  30  20.931 -33.746  23.885
  617   1HE   LYS  30          1HE       LYS  30  18.854 -34.834  23.242
  618   2HE   LYS  30          2HE       LYS  30  18.540 -33.507  24.360
  619   1HZ   LYS  30          1HZ       LYS  30  18.283 -33.277  21.413
  620   2HZ   LYS  30          2HZ       LYS  30  16.989 -33.618  22.447
  621   3HZ   LYS  30          3HZ       LYS  30  17.805 -32.142  22.572
  622    H    GLY  31           H        GLY  31  20.094 -28.870  20.199
  623   1HA   GLY  31          1HA       GLY  31  17.876 -29.096  18.264
  624   2HA   GLY  31          2HA       GLY  31  19.227 -27.983  18.106
  625    H    CYS  32           H        CYS  32  19.418 -26.606  20.304
  626    HA   CYS  32           HA       CYS  32  16.844 -25.227  20.463
  627   1HB   CYS  32          1HB       CYS  32  18.477 -26.064  22.865
  628   2HB   CYS  32          2HB       CYS  32  17.134 -24.929  22.924
  629    H    CYS  33           H        CYS  33  17.188 -23.100  21.781
  630    HA   CYS  33           HA       CYS  33  19.470 -21.769  20.546
  631   1HB   CYS  33          1HB       CYS  33  17.045 -20.652  21.968
  632   2HB   CYS  33          2HB       CYS  33  18.300 -19.679  21.207
  633    H    PHE  34           H        PHE  34  21.147 -20.913  21.634
  634    HA   PHE  34           HA       PHE  34  21.376 -21.626  24.445
  635   1HB   PHE  34          1HB       PHE  34  23.202 -22.251  22.952
  636   2HB   PHE  34          2HB       PHE  34  23.424 -20.568  22.487
  637    HD1  PHE  34           HD1      PHE  34  24.436 -18.976  24.021
  638    HD2  PHE  34           HD2      PHE  34  23.995 -23.079  25.062
  639    HE1  PHE  34           HE1      PHE  34  26.038 -18.676  25.864
  640    HE2  PHE  34           HE2      PHE  34  25.595 -22.787  26.907
  641    HZ   PHE  34           HZ       PHE  34  26.620 -20.583  27.311
  642    H    ASP  35           H        ASP  35  22.099 -20.160  26.055
  643    HA   ASP  35           HA       ASP  35  22.401 -17.381  25.596
  644   1HB   ASP  35          1HB       ASP  35  19.980 -17.465  25.246
  645   2HB   ASP  35          2HB       ASP  35  19.768 -18.259  26.803
  646    H    ASP  36           H        ASP  36  24.255 -18.061  26.850
  647    HA   ASP  36           HA       ASP  36  23.784 -18.762  29.634
  648   1HB   ASP  36          1HB       ASP  36  26.234 -18.986  29.765
  649   2HB   ASP  36          2HB       ASP  36  25.567 -19.931  28.438
  650    H    THR  37           H        THR  37  22.985 -16.133  28.644
  651    HA   THR  37           HA       THR  37  24.892 -14.254  29.739
  652    HB   THR  37           HB       THR  37  23.215 -12.536  29.189
  653    HG1  THR  37           HG1      THR  37  21.312 -13.318  28.020
  654   1HG2  THR  37          1HG2      THR  37  24.785 -13.261  27.460
  655   2HG2  THR  37          2HG2      THR  37  23.669 -14.534  26.968
  656   3HG2  THR  37          3HG2      THR  37  23.224 -12.841  26.755
  657    H    VAL  38           H        VAL  38  22.657 -16.298  31.069
  658    HA   VAL  38           HA       VAL  38  22.481 -14.651  33.490
  659    HB   VAL  38           HB       VAL  38  20.144 -16.157  32.307
  660   1HG1  VAL  38          1HG1      VAL  38  20.169 -16.261  34.740
  661   2HG1  VAL  38          2HG1      VAL  38  20.346 -14.508  34.824
  662   3HG1  VAL  38          3HG1      VAL  38  18.867 -15.215  34.173
  663   1HG2  VAL  38          1HG2      VAL  38  20.590 -14.083  31.112
  664   2HG2  VAL  38          2HG2      VAL  38  19.115 -13.944  32.068
  665   3HG2  VAL  38          3HG2      VAL  38  20.606 -13.194  32.635
  666    H    ARG  39           H        ARG  39  23.061 -15.733  35.255
  667    HA   ARG  39           HA       ARG  39  23.651 -18.552  35.090
  668   1HB   ARG  39          1HB       ARG  39  23.903 -16.587  37.374
  669   2HB   ARG  39          2HB       ARG  39  24.467 -18.251  37.423
  670   1HG   ARG  39          1HG       ARG  39  25.446 -16.133  35.519
  671   2HG   ARG  39          2HG       ARG  39  26.280 -16.672  36.978
  672   1HD   ARG  39          1HD       ARG  39  25.596 -18.388  34.593
  673   2HD   ARG  39          2HD       ARG  39  27.191 -17.742  34.975
  674    HE   ARG  39           HE       ARG  39  26.898 -19.102  37.126
  675   1HH1  ARG  39          1HH1      ARG  39  25.607 -20.006  34.021
  676   2HH1  ARG  39          2HH1      ARG  39  25.648 -21.706  34.353
  677   1HH2  ARG  39          1HH2      ARG  39  26.957 -21.338  37.574
  678   2HH2  ARG  39          2HH2      ARG  39  26.415 -22.463  36.374
  679    H    GLY  40           H        GLY  40  23.087 -19.736  37.347
  680   1HA   GLY  40          1HA       GLY  40  20.542 -19.203  38.479
  681   2HA   GLY  40          2HA       GLY  40  21.449 -20.699  38.641
  682    H    VAL  41           H        VAL  41  20.473 -19.336  35.561
  683    HA   VAL  41           HA       VAL  41  18.391 -21.396  35.315
  684    HB   VAL  41           HB       VAL  41  17.530 -20.109  33.426
  685   1HG1  VAL  41          1HG1      VAL  41  18.000 -18.421  35.881
  686   2HG1  VAL  41          2HG1      VAL  41  16.762 -18.133  34.658
  687   3HG1  VAL  41          3HG1      VAL  41  16.698 -19.589  35.651
  688   1HG2  VAL  41          1HG2      VAL  41  19.774 -18.185  34.030
  689   2HG2  VAL  41          2HG2      VAL  41  19.626 -19.196  32.593
  690   3HG2  VAL  41          3HG2      VAL  41  18.462 -17.904  32.886
  691    HA   PRO  42           HA       PRO  42  20.661 -23.696  32.328
  692   1HB   PRO  42          1HB       PRO  42  18.726 -24.462  30.585
  693   2HB   PRO  42          2HB       PRO  42  18.873 -25.136  32.212
  694   1HG   PRO  42          1HG       PRO  42  17.043 -22.989  31.211
  695   2HG   PRO  42          2HG       PRO  42  16.687 -24.345  32.298
  696   1HD   PRO  42          1HD       PRO  42  17.119 -21.828  33.199
  697   2HD   PRO  42          2HD       PRO  42  17.569 -23.268  34.135
  698    H    TRP  43           H        TRP  43  21.886 -23.271  30.583
  699    HA   TRP  43           HA       TRP  43  21.417 -20.838  29.115
  700   1HB   TRP  43          1HB       TRP  43  23.594 -22.921  28.840
  701   2HB   TRP  43          2HB       TRP  43  23.571 -21.365  28.016
  702    HD1  TRP  43           HD1      TRP  43  22.410 -19.957  30.868
  703    HE1  TRP  43           HE1      TRP  43  24.198 -19.356  32.618
  704    HE3  TRP  43           HE3      TRP  43  26.211 -22.950  29.209
  705    HZ2  TRP  43           HZ2      TRP  43  26.865 -20.055  33.217
  706    HZ3  TRP  43           HZ3      TRP  43  28.348 -22.923  30.427
  707    HH2  TRP  43           HH2      TRP  43  28.668 -21.505  32.389
  708    H    CYS  44           H        CYS  44  21.141 -24.280  28.531
  709    HA   CYS  44           HA       CYS  44  20.388 -23.807  25.744
  710   1HB   CYS  44          1HB       CYS  44  21.900 -25.690  26.218
  711   2HB   CYS  44          2HB       CYS  44  20.684 -26.402  27.274
  712    H    PHE  45           H        PHE  45  18.341 -23.350  25.317
  713    HA   PHE  45           HA       PHE  45  16.204 -24.745  26.741
  714   1HB   PHE  45          1HB       PHE  45  15.019 -22.656  27.229
  715   2HB   PHE  45          2HB       PHE  45  16.595 -22.675  28.019
  716    HD1  PHE  45           HD1      PHE  45  14.395 -20.761  26.092
  717    HD2  PHE  45           HD2      PHE  45  18.537 -21.597  26.594
  718    HE1  PHE  45           HE1      PHE  45  14.954 -18.625  25.009
  719    HE2  PHE  45           HE2      PHE  45  19.104 -19.460  25.515
  720    HZ   PHE  45           HZ       PHE  45  17.312 -17.972  24.717
  721    H    TYR  46           H        TYR  46  14.010 -24.066  25.752
  722    HA   TYR  46           HA       TYR  46  14.258 -24.187  22.863
  723   1HB   TYR  46          1HB       TYR  46  11.819 -24.237  24.655
  724   2HB   TYR  46          2HB       TYR  46  11.790 -24.459  22.908
  725    HD1  TYR  46           HD1      TYR  46  12.796 -25.961  26.113
  726    HD2  TYR  46           HD2      TYR  46  12.465 -26.538  21.911
  727    HE1  TYR  46           HE1      TYR  46  13.163 -28.372  26.422
  728    HE2  TYR  46           HE2      TYR  46  12.831 -28.951  22.209
  729    HH   TYR  46           HH       TYR  46  13.854 -30.471  23.849
  730    HA   PRO  47           HA       PRO  47  13.529 -19.821  22.502
  731   1HB   PRO  47          1HB       PRO  47  14.019 -19.613  19.904
  732   2HB   PRO  47          2HB       PRO  47  15.302 -20.117  21.012
  733   1HG   PRO  47          1HG       PRO  47  13.660 -21.762  19.139
  734   2HG   PRO  47          2HG       PRO  47  15.369 -21.927  19.573
  735   1HD   PRO  47          1HD       PRO  47  13.220 -23.385  20.660
  736   2HD   PRO  47          2HD       PRO  47  14.874 -23.313  21.300
  737    H    ASN  48           H        ASN  48  12.265 -18.333  20.976
  738    HA   ASN  48           HA       ASN  48  10.111 -19.594  19.515
  739   1HB   ASN  48          1HB       ASN  48   8.366 -18.152  20.596
  740   2HB   ASN  48          2HB       ASN  48   9.012 -19.414  21.638
  741   2HD2  ASN  48          2HD2      ASN  48  10.797 -16.523  20.878
  742   1HD2  ASN  48          1HD2      ASN  48  10.695 -15.810  22.449
  743    H    THR  49           H        THR  49  11.476 -18.668  17.855
  744    HA   THR  49           HA       THR  49  10.863 -15.812  17.433
  745    HB   THR  49           HB       THR  49  13.154 -17.120  16.012
  746    HG1  THR  49           HG1      THR  49  13.281 -17.420  18.417
  747   1HG2  THR  49          1HG2      THR  49  12.411 -14.866  15.375
  748   2HG2  THR  49          2HG2      THR  49  12.663 -14.317  17.034
  749   3HG2  THR  49          3HG2      THR  49  14.038 -14.839  16.057
  750    H    ILE  50           H        ILE  50   9.601 -15.405  15.720
  751    HA   ILE  50           HA       ILE  50   9.300 -17.531  13.698
  752    HB   ILE  50           HB       ILE  50   7.035 -15.791  14.648
  753   1HG1  ILE  50          1HG1      ILE  50   7.342 -18.631  15.533
  754   2HG1  ILE  50          2HG1      ILE  50   8.238 -17.381  16.389
  755   1HG2  ILE  50          1HG2      ILE  50   6.753 -16.840  12.473
  756   2HG2  ILE  50          2HG2      ILE  50   7.119 -18.416  13.174
  757   3HG2  ILE  50          3HG2      ILE  50   5.658 -17.555  13.657
  758   1HD1  ILE  50          1HD1      ILE  50   5.260 -17.327  15.985
  759   2HD1  ILE  50          2HD1      ILE  50   6.059 -17.988  17.412
  760   3HD1  ILE  50          3HD1      ILE  50   6.229 -16.277  17.023
  761    H    ASP  51           H        ASP  51   9.448 -16.906  11.635
  762    HA   ASP  51           HA       ASP  51   8.736 -14.292  10.718
  763   1HB   ASP  51          1HB       ASP  51  10.989 -13.592  10.009
  764   2HB   ASP  51          2HB       ASP  51  10.878 -13.736  11.761
  765    H    VAL  52           H        VAL  52   9.339 -14.011   8.366
  766    HA   VAL  52           HA       VAL  52   9.191 -16.627   7.028
  767    HB   VAL  52           HB       VAL  52   8.291 -13.929   6.009
  768   1HG1  VAL  52          1HG1      VAL  52   9.042 -15.380   4.205
  769   2HG1  VAL  52          2HG1      VAL  52   8.007 -16.678   4.800
  770   3HG1  VAL  52          3HG1      VAL  52   7.288 -15.199   4.166
  771   1HG2  VAL  52          1HG2      VAL  52   6.693 -16.300   6.975
  772   2HG2  VAL  52          2HG2      VAL  52   6.865 -14.752   7.802
  773   3HG2  VAL  52          3HG2      VAL  52   6.023 -14.837   6.255
  774    HA   PRO  53           HA       PRO  53  12.659 -13.798   5.048
  775   1HB   PRO  53          1HB       PRO  53  14.372 -12.995   6.998
  776   2HB   PRO  53          2HB       PRO  53  13.021 -12.004   6.438
  777   1HG   PRO  53          1HG       PRO  53  13.221 -13.745   8.863
  778   2HG   PRO  53          2HG       PRO  53  12.519 -12.125   8.703
  779   1HD   PRO  53          1HD       PRO  53  11.008 -14.373   8.754
  780   2HD   PRO  53          2HD       PRO  53  10.543 -12.929   7.833
  781    HA   PRO  54           HA       PRO  54  15.799 -16.912   5.226
  782   1HB   PRO  54          1HB       PRO  54  18.196 -15.695   5.616
  783   2HB   PRO  54          2HB       PRO  54  17.297 -15.585   4.098
  784   1HG   PRO  54          1HG       PRO  54  17.458 -13.622   6.352
  785   2HG   PRO  54          2HG       PRO  54  17.517 -13.326   4.605
  786   1HD   PRO  54          1HD       PRO  54  15.277 -12.934   6.070
  787   2HD   PRO  54          2HD       PRO  54  15.226 -13.464   4.376
  788    H    GLU  55           H        GLU  55  17.546 -18.000   6.509
  789    HA   GLU  55           HA       GLU  55  17.056 -17.585   9.382
  790   1HB   GLU  55          1HB       GLU  55  17.548 -19.978   9.664
  791   2HB   GLU  55          2HB       GLU  55  16.197 -19.714   8.571
  792   1HG   GLU  55          1HG       GLU  55  17.678 -20.068   6.658
  793   2HG   GLU  55          2HG       GLU  55  19.027 -20.343   7.760
  794    H    GLU  56           H        GLU  56  19.057 -16.123   7.993
  795    HA   GLU  56           HA       GLU  56  21.265 -16.613   9.700
  796   1HB   GLU  56          1HB       GLU  56  21.711 -18.414   8.102
  797   2HB   GLU  56          2HB       GLU  56  21.671 -17.260   6.775
  798   1HG   GLU  56          1HG       GLU  56  23.627 -16.131   7.685
  799   2HG   GLU  56          2HG       GLU  56  23.662 -17.266   9.034
  800    H    GLU  57           H        GLU  57  22.169 -14.705  10.089
  801    HA   GLU  57           HA       GLU  57  22.201 -12.684   7.957
  802   1HB   GLU  57          1HB       GLU  57  21.426 -12.195  10.839
  803   2HB   GLU  57          2HB       GLU  57  21.638 -10.947   9.620
  804   1HG   GLU  57          1HG       GLU  57  19.581 -13.143   9.565
  805   2HG   GLU  57          2HG       GLU  57  19.289 -11.451   9.969
  806    H    CYS  58           H        CYS  58  23.132 -11.179  10.688
  807    HA   CYS  58           HA       CYS  58  25.750 -12.220  11.096
  808   1HB   CYS  58          1HB       CYS  58  25.507  -9.696   9.447
  809   2HB   CYS  58          2HB       CYS  58  27.005 -10.314  10.134
  810    H    GLU  59           H        GLU  59  26.742 -11.323  12.872
  811    HA   GLU  59           HA       GLU  59  25.691  -8.870  14.022
  812   1HB   GLU  59          1HB       GLU  59  25.602 -11.500  15.513
  813   2HB   GLU  59          2HB       GLU  59  25.258  -9.923  16.211
  814   1HG   GLU  59          1HG       GLU  59  23.356  -9.666  14.704
  815   2HG   GLU  59          2HG       GLU  59  23.703 -11.245  13.999
  816    H    PHE  60           H        PHE  60  27.953  -8.437  13.272
  817    HA   PHE  60           HA       PHE  60  29.959  -9.400  15.194
  818   1HB   PHE  60          1HB       PHE  60  30.340  -8.083  12.496
  819   2HB   PHE  60          2HB       PHE  60  31.637  -8.629  13.554
  820    HD1  PHE  60           HD1      PHE  60  28.866  -9.713  11.395
  821    HD2  PHE  60           HD2      PHE  60  32.238 -10.928  13.690
  822    HE1  PHE  60           HE1      PHE  60  28.766 -11.941  10.356
  823    HE2  PHE  60           HE2      PHE  60  32.144 -13.157  12.654
  824    HZ   PHE  60           HZ       PHE  60  30.407 -13.667  10.985

  No H/Q in entry =         824
  Start of MODEL    2
    1    H1   GLU   1           H1       GLU   1  21.740 -18.571  -1.174
    2    H2   GLU   1           H2       GLU   1  20.900 -19.428   0.019
    3    H3   GLU   1           H3       GLU   1  20.496 -19.630  -1.611
    4    HA   GLU   1           HA       GLU   1  18.870 -18.254  -0.522
    5   1HB   GLU   1          1HB       GLU   1  19.518 -16.066   0.374
    6   2HB   GLU   1          2HB       GLU   1  20.322 -17.368   1.238
    7   1HG   GLU   1          1HG       GLU   1  21.547 -15.646  -0.905
    8   2HG   GLU   1          2HG       GLU   1  21.828 -15.507   0.830
    9    H    ALA   2           H        ALA   2  17.728 -16.836  -1.799
   10    HA   ALA   2           HA       ALA   2  19.045 -16.093  -4.322
   11   1HB   ALA   2          1HB       ALA   2  16.105 -16.436  -3.738
   12   2HB   ALA   2          2HB       ALA   2  16.818 -16.069  -5.309
   13   3HB   ALA   2          3HB       ALA   2  17.144 -17.620  -4.535
   14    H    GLN   3           H        GLN   3  16.257 -14.524  -4.442
   15    HA   GLN   3           HA       GLN   3  17.481 -11.983  -3.785
   16   1HB   GLN   3          1HB       GLN   3  14.762 -12.613  -4.950
   17   2HB   GLN   3          2HB       GLN   3  15.462 -11.006  -4.808
   18   1HG   GLN   3          1HG       GLN   3  15.676 -11.849  -7.068
   19   2HG   GLN   3          2HG       GLN   3  17.260 -11.643  -6.322
   20   2HE2  GLN   3          2HE2      GLN   3  14.905 -13.914  -7.481
   21   1HE2  GLN   3          1HE2      GLN   3  15.934 -15.302  -7.469
   22    H    THR   4           H        THR   4  15.740 -10.324  -2.850
   23    HA   THR   4           HA       THR   4  14.294 -11.524  -0.608
   24    HB   THR   4           HB       THR   4  15.227  -9.896   0.988
   25    HG1  THR   4           HG1      THR   4  16.840  -9.194  -1.246
   26   1HG2  THR   4          1HG2      THR   4  17.325 -11.577  -0.391
   27   2HG2  THR   4          2HG2      THR   4  17.442 -10.922   1.243
   28   3HG2  THR   4          3HG2      THR   4  16.213 -12.128   0.863
   29    H    GLU   5           H        GLU   5  12.374 -10.589  -0.281
   30    HA   GLU   5           HA       GLU   5  11.754  -8.171  -1.810
   31   1HB   GLU   5          1HB       GLU   5   9.921 -10.141  -0.430
   32   2HB   GLU   5          2HB       GLU   5   9.396  -8.771  -1.399
   33   1HG   GLU   5          1HG       GLU   5  10.470  -9.747  -3.364
   34   2HG   GLU   5          2HG       GLU   5  10.993 -11.121  -2.392
   35    H    THR   6           H        THR   6  10.730  -6.376  -0.881
   36    HA   THR   6           HA       THR   6  10.592  -6.280   2.045
   37    HB   THR   6           HB       THR   6  12.021  -4.207   0.367
   38    HG1  THR   6           HG1      THR   6  12.950  -6.114   2.271
   39   1HG2  THR   6          1HG2      THR   6  11.522  -4.331   3.343
   40   2HG2  THR   6          2HG2      THR   6  12.533  -3.141   2.523
   41   3HG2  THR   6          3HG2      THR   6  10.798  -3.187   2.213
   42    H    CYS   7           H        CYS   7   9.679  -3.976   2.669
   43    HA   CYS   7           HA       CYS   7   7.572  -3.229   0.763
   44   1HB   CYS   7          1HB       CYS   7   7.176  -3.816   3.702
   45   2HB   CYS   7          2HB       CYS   7   5.958  -3.102   2.651
   46    H    THR   8           H        THR   8  10.122  -2.228   2.568
   47    HA   THR   8           HA       THR   8   9.100   0.241   3.599
   48    HB   THR   8           HB       THR   8  11.059  -0.814   4.624
   49    HG1  THR   8           HG1      THR   8  11.490   1.191   5.130
   50   1HG2  THR   8          1HG2      THR   8  12.052  -1.764   2.588
   51   2HG2  THR   8          2HG2      THR   8  12.476  -0.143   2.042
   52   3HG2  THR   8          3HG2      THR   8  13.223  -0.808   3.493
   53    H    VAL   9           H        VAL   9   8.054   0.903   1.554
   54    HA   VAL   9           HA       VAL   9   9.970   2.208  -0.268
   55    HB   VAL   9           HB       VAL   9   7.155   1.297  -0.886
   56   1HG1  VAL   9          1HG1      VAL   9   9.249   2.549  -2.660
   57   2HG1  VAL   9          2HG1      VAL   9   7.694   1.915  -3.198
   58   3HG1  VAL   9          3HG1      VAL   9   7.752   3.307  -2.116
   59   1HG2  VAL   9          1HG2      VAL   9   8.691  -0.580  -0.673
   60   2HG2  VAL   9          2HG2      VAL   9   8.237  -0.339  -2.360
   61   3HG2  VAL   9          3HG2      VAL   9   9.816   0.196  -1.787
   62    H    ALA  10           H        ALA  10   9.203   4.237  -1.251
   63    HA   ALA  10           HA       ALA  10   8.056   5.955   0.764
   64   1HB   ALA  10          1HB       ALA  10   9.974   6.695  -0.567
   65   2HB   ALA  10          2HB       ALA  10   8.992   6.607  -2.030
   66   3HB   ALA  10          3HB       ALA  10   8.592   7.773  -0.767
   67    HA   PRO  11           HA       PRO  11   3.771   5.671  -0.249
   68   1HB   PRO  11          1HB       PRO  11   4.020   8.644   0.034
   69   2HB   PRO  11          2HB       PRO  11   2.793   7.555   0.692
   70   1HG   PRO  11          1HG       PRO  11   4.783   8.467   2.222
   71   2HG   PRO  11          2HG       PRO  11   4.166   6.815   2.398
   72   1HD   PRO  11          1HD       PRO  11   6.728   7.758   1.259
   73   2HD   PRO  11          2HD       PRO  11   6.319   6.186   1.972
   74    H    ARG  12           H        ARG  12   5.878   8.023  -1.822
   75    HA   ARG  12           HA       ARG  12   4.077   8.256  -4.097
   76   1HB   ARG  12          1HB       ARG  12   6.780   9.511  -3.582
   77   2HB   ARG  12          2HB       ARG  12   5.743   9.866  -4.957
   78   1HG   ARG  12          1HG       ARG  12   4.031  10.737  -3.453
   79   2HG   ARG  12          2HG       ARG  12   5.061  10.370  -2.067
   80   1HD   ARG  12          1HD       ARG  12   6.759  11.908  -2.927
   81   2HD   ARG  12          2HD       ARG  12   5.727  12.277  -4.308
   82    HE   ARG  12           HE       ARG  12   4.276  12.792  -1.978
   83   1HH1  ARG  12          1HH1      ARG  12   7.069  14.002  -3.667
   84   2HH1  ARG  12          2HH1      ARG  12   6.885  15.621  -3.080
   85   1HH2  ARG  12          1HH2      ARG  12   4.023  14.919  -1.197
   86   2HH2  ARG  12          2HH2      ARG  12   5.153  16.143  -1.674
   87    H    GLU  13           H        GLU  13   7.036   6.662  -3.180
   88    HA   GLU  13           HA       GLU  13   7.580   5.826  -5.918
   89   1HB   GLU  13          1HB       GLU  13   9.079   5.265  -3.353
   90   2HB   GLU  13          2HB       GLU  13   9.611   4.799  -4.964
   91   1HG   GLU  13          1HG       GLU  13   9.217   7.616  -3.979
   92   2HG   GLU  13          2HG       GLU  13  10.762   6.793  -4.187
   93    H    ARG  14           H        ARG  14   5.682   4.787  -3.406
   94    HA   ARG  14           HA       ARG  14   6.119   1.982  -3.493
   95   1HB   ARG  14          1HB       ARG  14   3.672   3.546  -2.646
   96   2HB   ARG  14          2HB       ARG  14   3.929   1.832  -2.349
   97   1HG   ARG  14          1HG       ARG  14   5.862   2.344  -0.966
   98   2HG   ARG  14          2HG       ARG  14   5.646   4.066  -1.286
   99   1HD   ARG  14          1HD       ARG  14   3.436   3.972  -0.223
  100   2HD   ARG  14          2HD       ARG  14   3.678   2.258   0.114
  101    HE   ARG  14           HE       ARG  14   5.829   3.595   1.228
  102   1HH1  ARG  14          1HH1      ARG  14   2.368   3.534   1.607
  103   2HH1  ARG  14          2HH1      ARG  14   2.414   3.959   3.286
  104   1HH2  ARG  14          1HH2      ARG  14   5.902   4.158   3.438
  105   2HH2  ARG  14          2HH2      ARG  14   4.423   4.317   4.326
  106    H    GLN  15           H        GLN  15   5.708   0.667  -5.130
  107    HA   GLN  15           HA       GLN  15   4.032   1.487  -7.323
  108   1HB   GLN  15          1HB       GLN  15   6.095   0.248  -7.748
  109   2HB   GLN  15          2HB       GLN  15   5.491  -1.110  -6.808
  110   1HG   GLN  15          1HG       GLN  15   5.294  -1.539  -9.184
  111   2HG   GLN  15          2HG       GLN  15   3.705  -1.452  -8.426
  112   2HE2  GLN  15          2HE2      GLN  15   5.629   1.370  -9.087
  113   1HE2  GLN  15          1HE2      GLN  15   4.634   2.002 -10.351
  114    H    ASN  16           H        ASN  16   1.933   1.595  -6.580
  115    HA   ASN  16           HA       ASN  16   0.407   0.253  -4.945
  116   1HB   ASN  16          1HB       ASN  16  -0.533   1.794  -6.597
  117   2HB   ASN  16          2HB       ASN  16  -0.326   0.587  -7.862
  118   2HD2  ASN  16          2HD2      ASN  16  -1.325  -0.230  -4.631
  119   1HD2  ASN  16          1HD2      ASN  16  -2.951  -0.657  -5.027
  120    H    CYS  17           H        CYS  17  -0.718  -1.703  -4.740
  121    HA   CYS  17           HA       CYS  17  -0.050  -3.865  -6.585
  122   1HB   CYS  17          1HB       CYS  17   1.680  -3.946  -4.831
  123   2HB   CYS  17          2HB       CYS  17   0.426  -4.022  -3.600
  124    H    GLY  18           H        GLY  18  -2.291  -2.156  -5.039
  125   1HA   GLY  18          1HA       GLY  18  -4.082  -3.641  -3.698
  126   2HA   GLY  18          2HA       GLY  18  -4.291  -4.231  -5.342
  127    H    PHE  19           H        PHE  19  -6.031  -2.640  -3.462
  128    HA   PHE  19           HA       PHE  19  -6.673  -0.494  -5.364
  129   1HB   PHE  19          1HB       PHE  19  -8.954  -0.565  -4.358
  130   2HB   PHE  19          2HB       PHE  19  -8.479  -2.070  -5.137
  131    HD1  PHE  19           HD1      PHE  19  -9.565  -0.506  -2.098
  132    HD2  PHE  19           HD2      PHE  19  -7.711  -3.984  -3.704
  133    HE1  PHE  19           HE1      PHE  19 -10.091  -1.736  -0.032
  134    HE2  PHE  19           HE2      PHE  19  -8.234  -5.220  -1.642
  135    HZ   PHE  19           HZ       PHE  19  -9.426  -4.097   0.197
  136    HA   PRO  20           HA       PRO  20  -6.012   2.749  -2.503
  137   1HB   PRO  20          1HB       PRO  20  -8.294   4.237  -2.578
  138   2HB   PRO  20          2HB       PRO  20  -7.108   4.211  -3.888
  139   1HG   PRO  20          1HG       PRO  20  -9.695   2.725  -3.642
  140   2HG   PRO  20          2HG       PRO  20  -9.010   3.552  -5.053
  141   1HD   PRO  20          1HD       PRO  20  -8.878   0.873  -4.749
  142   2HD   PRO  20          2HD       PRO  20  -7.594   1.799  -5.552
  143    H    GLY  21           H        GLY  21  -8.807   0.761  -1.973
  144   1HA   GLY  21          1HA       GLY  21 -10.253   0.784  -0.062
  145   2HA   GLY  21          2HA       GLY  21  -9.053   1.746   0.788
  146    H    VAL  22           H        VAL  22  -7.243  -0.463  -0.714
  147    HA   VAL  22           HA       VAL  22  -7.570  -2.942   0.281
  148    HB   VAL  22           HB       VAL  22  -5.114  -3.178   0.422
  149   1HG1  VAL  22          1HG1      VAL  22  -6.166  -1.657  -1.958
  150   2HG1  VAL  22          2HG1      VAL  22  -4.638  -2.536  -1.929
  151   3HG1  VAL  22          3HG1      VAL  22  -6.160  -3.406  -1.733
  152   1HG2  VAL  22          1HG2      VAL  22  -5.153  -0.191   0.021
  153   2HG2  VAL  22          2HG2      VAL  22  -4.499  -1.076   1.398
  154   3HG2  VAL  22          3HG2      VAL  22  -3.722  -1.200  -0.180
  155    H    THR  23           H        THR  23  -6.532  -4.079   2.103
  156    HA   THR  23           HA       THR  23  -6.197  -2.485   4.530
  157    HB   THR  23           HB       THR  23  -7.707  -3.946   5.819
  158    HG1  THR  23           HG1      THR  23  -7.560  -5.530   3.782
  159   1HG2  THR  23          1HG2      THR  23  -9.031  -2.626   3.447
  160   2HG2  THR  23          2HG2      THR  23  -9.834  -3.071   4.953
  161   3HG2  THR  23          3HG2      THR  23  -8.575  -1.836   4.956
  162    HA   PRO  24           HA       PRO  24  -3.192  -5.410   5.895
  163   1HB   PRO  24          1HB       PRO  24  -4.256  -6.551   8.185
  164   2HB   PRO  24          2HB       PRO  24  -3.412  -5.001   8.124
  165   1HG   PRO  24          1HG       PRO  24  -6.345  -5.564   8.136
  166   2HG   PRO  24          2HG       PRO  24  -5.445  -4.276   8.959
  167   1HD   PRO  24          1HD       PRO  24  -6.838  -3.797   6.720
  168   2HD   PRO  24          2HD       PRO  24  -5.289  -2.988   7.035
  169    H    SER  25           H        SER  25  -6.488  -6.693   5.968
  170    HA   SER  25           HA       SER  25  -5.531  -9.411   5.586
  171   1HB   SER  25          1HB       SER  25  -8.350  -8.322   5.778
  172   2HB   SER  25          2HB       SER  25  -7.919 -10.030   5.716
  173    HG   SER  25           HG       SER  25  -7.873  -8.304   7.819
  174    H    GLN  26           H        GLN  26  -7.313  -6.932   3.800
  175    HA   GLN  26           HA       GLN  26  -7.862  -8.550   1.537
  176   1HB   GLN  26          1HB       GLN  26  -7.727  -5.539   1.775
  177   2HB   GLN  26          2HB       GLN  26  -8.415  -6.420   0.418
  178   1HG   GLN  26          1HG       GLN  26 -10.105  -7.380   1.897
  179   2HG   GLN  26          2HG       GLN  26  -9.414  -6.496   3.257
  180   2HE2  GLN  26          2HE2      GLN  26  -9.688  -4.268   3.381
  181   1HE2  GLN  26          1HE2      GLN  26 -10.875  -3.435   2.443
  182    H    CYS  27           H        CYS  27  -5.145  -6.596   2.505
  183    HA   CYS  27           HA       CYS  27  -3.912  -6.812  -0.131
  184   1HB   CYS  27          1HB       CYS  27  -3.781  -4.656   1.034
  185   2HB   CYS  27          2HB       CYS  27  -2.953  -5.427   2.382
  186    H    ALA  28           H        ALA  28  -3.512  -7.972   3.168
  187    HA   ALA  28           HA       ALA  28  -1.042  -9.337   2.603
  188   1HB   ALA  28          1HB       ALA  28  -1.529  -8.472   4.843
  189   2HB   ALA  28          2HB       ALA  28  -1.238 -10.210   4.868
  190   3HB   ALA  28          3HB       ALA  28  -2.886  -9.589   4.978
  191    H    ASN  29           H        ASN  29  -4.296  -9.979   2.006
  192    HA   ASN  29           HA       ASN  29  -4.012 -12.876   2.148
  193   1HB   ASN  29          1HB       ASN  29  -6.116 -11.892   2.922
  194   2HB   ASN  29          2HB       ASN  29  -6.369 -11.158   1.342
  195   2HD2  ASN  29          2HD2      ASN  29  -8.310 -12.221   1.033
  196   1HD2  ASN  29          1HD2      ASN  29  -8.397 -13.912   0.692
  197    H    LYS  30           H        LYS  30  -3.640 -10.355  -0.106
  198    HA   LYS  30           HA       LYS  30  -3.959 -12.169  -2.388
  199   1HB   LYS  30          1HB       LYS  30  -5.120 -10.026  -2.561
  200   2HB   LYS  30          2HB       LYS  30  -3.608  -9.167  -2.299
  201   1HG   LYS  30          1HG       LYS  30  -4.225  -9.162  -4.646
  202   2HG   LYS  30          2HG       LYS  30  -2.727 -10.060  -4.391
  203   1HD   LYS  30          1HD       LYS  30  -3.980 -12.164  -4.464
  204   2HD   LYS  30          2HD       LYS  30  -5.476 -11.263  -4.720
  205   1HE   LYS  30          1HE       LYS  30  -3.083 -11.289  -6.558
  206   2HE   LYS  30          2HE       LYS  30  -4.598 -12.152  -6.821
  207   1HZ   LYS  30          1HZ       LYS  30  -5.749 -10.028  -6.907
  208   2HZ   LYS  30          2HZ       LYS  30  -4.295  -9.201  -6.654
  209   3HZ   LYS  30          3HZ       LYS  30  -4.527 -10.091  -8.073
  210    H    GLY  31           H        GLY  31  -1.597 -10.241  -0.659
  211   1HA   GLY  31          1HA       GLY  31   0.500 -11.421  -2.374
  212   2HA   GLY  31          2HA       GLY  31   0.687 -11.161  -0.647
  213    H    CYS  32           H        CYS  32  -0.332  -8.585  -0.413
  214    HA   CYS  32           HA       CYS  32   1.676  -7.050  -1.924
  215   1HB   CYS  32          1HB       CYS  32  -1.122  -6.165  -1.191
  216   2HB   CYS  32          2HB       CYS  32   0.101  -5.138  -1.931
  217    H    CYS  33           H        CYS  33   2.344  -5.034  -0.856
  218    HA   CYS  33           HA       CYS  33   2.668  -5.433   1.999
  219   1HB   CYS  33          1HB       CYS  33   3.757  -3.288   0.162
  220   2HB   CYS  33          2HB       CYS  33   4.186  -3.480   1.858
  221    H    PHE  34           H        PHE  34   1.694  -4.284   3.579
  222    HA   PHE  34           HA       PHE  34  -0.180  -2.172   2.733
  223   1HB   PHE  34          1HB       PHE  34  -1.299  -4.158   3.655
  224   2HB   PHE  34          2HB       PHE  34  -0.360  -4.003   5.136
  225    HD1  PHE  34           HD1      PHE  34  -0.773  -2.126   6.672
  226    HD2  PHE  34           HD2      PHE  34  -3.199  -2.791   3.239
  227    HE1  PHE  34           HE1      PHE  34  -2.501  -0.647   7.611
  228    HE2  PHE  34           HE2      PHE  34  -4.931  -1.313   4.172
  229    HZ   PHE  34           HZ       PHE  34  -4.583  -0.239   6.360
  230    H    ASP  35           H        ASP  35   0.294  -0.185   3.370
  231    HA   ASP  35           HA       ASP  35   1.549   0.257   5.963
  232   1HB   ASP  35          1HB       ASP  35   3.443   0.100   4.419
  233   2HB   ASP  35          2HB       ASP  35   2.712   1.319   3.379
  234    H    ASP  36           H        ASP  36  -0.169   1.354   6.774
  235    HA   ASP  36           HA       ASP  36  -1.368   3.512   5.227
  236   1HB   ASP  36          1HB       ASP  36  -3.000   3.633   7.072
  237   2HB   ASP  36          2HB       ASP  36  -2.872   2.001   6.423
  238    H    THR  37           H        THR  37   1.102   4.286   5.608
  239    HA   THR  37           HA       THR  37   1.285   5.845   8.073
  240    HB   THR  37           HB       THR  37   3.587   6.354   7.362
  241    HG1  THR  37           HG1      THR  37   2.798   5.894   4.991
  242   1HG2  THR  37          1HG2      THR  37   3.175   4.343   8.690
  243   2HG2  THR  37          2HG2      THR  37   2.901   3.416   7.215
  244   3HG2  THR  37          3HG2      THR  37   4.498   4.084   7.553
  245    H    VAL  38           H        VAL  38   0.882   6.238   4.621
  246    HA   VAL  38           HA       VAL  38   0.417   9.108   5.057
  247    HB   VAL  38           HB       VAL  38   1.924   7.942   2.712
  248   1HG1  VAL  38          1HG1      VAL  38   0.527   9.824   2.055
  249   2HG1  VAL  38          2HG1      VAL  38   1.206  10.800   3.357
  250   3HG1  VAL  38          3HG1      VAL  38   2.231  10.274   2.022
  251   1HG2  VAL  38          1HG2      VAL  38   2.869   9.694   4.979
  252   2HG2  VAL  38          2HG2      VAL  38   3.285   7.998   4.727
  253   3HG2  VAL  38          3HG2      VAL  38   3.831   9.221   3.579
  254    H    ARG  39           H        ARG  39  -1.565   9.643   4.452
  255    HA   ARG  39           HA       ARG  39  -3.217   7.866   2.944
  256   1HB   ARG  39          1HB       ARG  39  -4.928   9.628   3.166
  257   2HB   ARG  39          2HB       ARG  39  -4.177   9.238   4.707
  258   1HG   ARG  39          1HG       ARG  39  -2.762  11.226   4.514
  259   2HG   ARG  39          2HG       ARG  39  -3.538  11.621   2.980
  260   1HD   ARG  39          1HD       ARG  39  -5.694  11.808   4.122
  261   2HD   ARG  39          2HD       ARG  39  -4.920  11.407   5.653
  262    HE   ARG  39           HE       ARG  39  -3.727  13.673   4.380
  263   1HH1  ARG  39          1HH1      ARG  39  -6.384  12.626   6.374
  264   2HH1  ARG  39          2HH1      ARG  39  -6.613  14.176   7.111
  265   1HH2  ARG  39          1HH2      ARG  39  -4.019  15.720   5.343
  266   2HH2  ARG  39          2HH2      ARG  39  -5.269  15.936   6.524
  267    H    GLY  40           H        GLY  40  -4.701   9.241   1.230
  268   1HA   GLY  40          1HA       GLY  40  -3.303  10.987  -0.512
  269   2HA   GLY  40          2HA       GLY  40  -4.787  10.126  -0.891
  270    H    VAL  41           H        VAL  41  -1.884   8.461   0.100
  271    HA   VAL  41           HA       VAL  41  -1.343   7.680  -2.676
  272    HB   VAL  41           HB       VAL  41   0.793   6.807  -1.856
  273   1HG1  VAL  41          1HG1      VAL  41   0.673   9.135  -2.570
  274   2HG1  VAL  41          2HG1      VAL  41   0.246   9.626  -0.931
  275   3HG1  VAL  41          3HG1      VAL  41   1.836   8.938  -1.260
  276   1HG2  VAL  41          1HG2      VAL  41   0.076   6.126   0.375
  277   2HG2  VAL  41          2HG2      VAL  41   1.488   7.180   0.461
  278   3HG2  VAL  41          3HG2      VAL  41  -0.111   7.816   0.840
  279    HA   PRO  42           HA       PRO  42  -2.695   3.518  -2.119
  280   1HB   PRO  42          1HB       PRO  42  -0.781   2.049  -3.339
  281   2HB   PRO  42          2HB       PRO  42  -1.894   3.089  -4.236
  282   1HG   PRO  42          1HG       PRO  42   0.934   3.613  -3.404
  283   2HG   PRO  42          2HG       PRO  42   0.142   3.954  -4.953
  284   1HD   PRO  42          1HD       PRO  42   0.545   5.850  -3.049
  285   2HD   PRO  42          2HD       PRO  42  -0.828   5.889  -4.174
  286    H    TRP  43           H        TRP  43  -2.745   2.497  -0.220
  287    HA   TRP  43           HA       TRP  43  -0.427   2.321   1.468
  288   1HB   TRP  43          1HB       TRP  43  -3.193   1.142   1.804
  289   2HB   TRP  43          2HB       TRP  43  -1.945   1.178   3.046
  290    HD1  TRP  43           HD1      TRP  43  -1.251   4.350   1.905
  291    HE1  TRP  43           HE1      TRP  43  -2.695   6.205   2.955
  292    HE3  TRP  43           HE3      TRP  43  -5.084   1.480   3.702
  293    HZ2  TRP  43           HZ2      TRP  43  -5.133   6.424   4.357
  294    HZ3  TRP  43           HZ3      TRP  43  -6.932   2.590   4.886
  295    HH2  TRP  43           HH2      TRP  43  -6.955   5.012   5.206
  296    H    CYS  44           H        CYS  44  -2.225   0.150  -0.619
  297    HA   CYS  44           HA       CYS  44  -0.464  -2.068   0.146
  298   1HB   CYS  44          1HB       CYS  44  -2.878  -2.530   0.183
  299   2HB   CYS  44          2HB       CYS  44  -2.993  -2.079  -1.515
  300    H    PHE  45           H        PHE  45   1.346  -2.165  -1.006
  301    HA   PHE  45           HA       PHE  45   1.162  -1.876  -3.925
  302   1HB   PHE  45          1HB       PHE  45   3.328  -0.681  -3.928
  303   2HB   PHE  45          2HB       PHE  45   2.074   0.217  -3.081
  304    HD1  PHE  45           HD1      PHE  45   5.214  -1.606  -2.753
  305    HD2  PHE  45           HD2      PHE  45   2.152   0.490  -0.671
  306    HE1  PHE  45           HE1      PHE  45   6.670  -1.452  -0.775
  307    HE2  PHE  45           HE2      PHE  45   3.602   0.649   1.311
  308    HZ   PHE  45           HZ       PHE  45   5.863  -0.323   1.260
  309    H    TYR  46           H        TYR  46   3.389  -2.612  -4.906
  310    HA   TYR  46           HA       TYR  46   3.740  -5.338  -4.094
  311   1HB   TYR  46          1HB       TYR  46   5.209  -3.709  -6.178
  312   2HB   TYR  46          2HB       TYR  46   5.338  -5.453  -5.976
  313    HD1  TYR  46           HD1      TYR  46   3.489  -2.770  -7.476
  314    HD2  TYR  46           HD2      TYR  46   3.256  -6.861  -6.331
  315    HE1  TYR  46           HE1      TYR  46   1.577  -3.079  -8.992
  316    HE2  TYR  46           HE2      TYR  46   1.344  -7.181  -7.844
  317    HH   TYR  46           HH       TYR  46   0.464  -4.913 -10.203
  318    HA   PRO  47           HA       PRO  47   7.220  -4.937  -1.434
  319   1HB   PRO  47          1HB       PRO  47   8.549  -7.245  -1.924
  320   2HB   PRO  47          2HB       PRO  47   7.015  -7.196  -1.048
  321   1HG   PRO  47          1HG       PRO  47   7.535  -7.860  -3.922
  322   2HG   PRO  47          2HG       PRO  47   6.458  -8.664  -2.765
  323   1HD   PRO  47          1HD       PRO  47   5.562  -6.905  -4.625
  324   2HD   PRO  47          2HD       PRO  47   4.790  -7.099  -3.038
  325    H    ASN  48           H        ASN  48   9.775  -6.030  -1.840
  326    HA   ASN  48           HA       ASN  48  10.798  -4.687  -4.236
  327   1HB   ASN  48          1HB       ASN  48  11.856  -4.221  -1.438
  328   2HB   ASN  48          2HB       ASN  48  12.572  -3.593  -2.920
  329   2HD2  ASN  48          2HD2      ASN  48  11.507  -2.191  -0.590
  330   1HD2  ASN  48          1HD2      ASN  48  10.285  -1.129  -1.193
  331    H    THR  49           H        THR  49  11.258  -6.722  -5.104
  332    HA   THR  49           HA       THR  49  12.870  -8.616  -3.650
  333    HB   THR  49           HB       THR  49  12.053  -8.599  -6.562
  334    HG1  THR  49           HG1      THR  49  10.961 -10.445  -4.823
  335   1HG2  THR  49          1HG2      THR  49  13.231 -10.801  -4.863
  336   2HG2  THR  49          2HG2      THR  49  12.641 -10.984  -6.515
  337   3HG2  THR  49          3HG2      THR  49  14.042  -9.964  -6.187
  338    H    ILE  50           H        ILE  50  14.788  -7.501  -3.194
  339    HA   ILE  50           HA       ILE  50  16.419  -6.655  -5.480
  340    HB   ILE  50           HB       ILE  50  16.877  -6.246  -2.521
  341   1HG1  ILE  50          1HG1      ILE  50  15.990  -4.314  -4.676
  342   2HG1  ILE  50          2HG1      ILE  50  14.967  -4.968  -3.401
  343   1HG2  ILE  50          1HG2      ILE  50  18.971  -6.364  -3.748
  344   2HG2  ILE  50          2HG2      ILE  50  18.382  -5.166  -4.900
  345   3HG2  ILE  50          3HG2      ILE  50  18.657  -4.712  -3.219
  346   1HD1  ILE  50          1HD1      ILE  50  16.343  -3.847  -1.728
  347   2HD1  ILE  50          2HD1      ILE  50  17.363  -3.192  -3.007
  348   3HD1  ILE  50          3HD1      ILE  50  15.671  -2.706  -2.892
  349    H    ASP  51           H        ASP  51  18.561  -7.407  -5.755
  350    HA   ASP  51           HA       ASP  51  19.644  -9.484  -4.116
  351   1HB   ASP  51          1HB       ASP  51  17.967 -10.805  -5.308
  352   2HB   ASP  51          2HB       ASP  51  18.593 -10.234  -6.852
  353    H    VAL  52           H        VAL  52  21.693  -8.863  -4.094
  354    HA   VAL  52           HA       VAL  52  22.966  -8.142  -6.652
  355    HB   VAL  52           HB       VAL  52  23.723  -7.196  -3.885
  356   1HG1  VAL  52          1HG1      VAL  52  25.669  -7.451  -5.323
  357   2HG1  VAL  52          2HG1      VAL  52  24.881  -6.499  -6.581
  358   3HG1  VAL  52          3HG1      VAL  52  25.319  -5.744  -5.049
  359   1HG2  VAL  52          1HG2      VAL  52  21.671  -6.155  -4.682
  360   2HG2  VAL  52          2HG2      VAL  52  22.995  -4.992  -4.676
  361   3HG2  VAL  52          3HG2      VAL  52  22.466  -5.716  -6.194
  362    HA   PRO  53           HA       PRO  53  25.453 -11.403  -3.999
  363   1HB   PRO  53          1HB       PRO  53  23.460 -13.525  -4.313
  364   2HB   PRO  53          2HB       PRO  53  24.300 -12.988  -2.857
  365   1HG   PRO  53          1HG       PRO  53  21.667 -12.541  -3.255
  366   2HG   PRO  53          2HG       PRO  53  22.698 -11.418  -2.350
  367   1HD   PRO  53          1HD       PRO  53  21.719 -11.239  -5.175
  368   2HD   PRO  53          2HD       PRO  53  21.865  -9.964  -3.947
  369    HA   PRO  54           HA       PRO  54  26.741 -13.355  -7.749
  370   1HB   PRO  54          1HB       PRO  54  28.073 -15.524  -6.866
  371   2HB   PRO  54          2HB       PRO  54  28.675 -13.883  -6.604
  372   1HG   PRO  54          1HG       PRO  54  27.198 -15.680  -4.718
  373   2HG   PRO  54          2HG       PRO  54  28.610 -14.653  -4.408
  374   1HD   PRO  54          1HD       PRO  54  26.067 -13.932  -3.748
  375   2HD   PRO  54          2HD       PRO  54  27.332 -12.759  -4.163
  376    H    GLU  55           H        GLU  55  26.418 -16.351  -5.963
  377    HA   GLU  55           HA       GLU  55  23.936 -17.098  -7.223
  378   1HB   GLU  55          1HB       GLU  55  25.515 -17.481  -9.055
  379   2HB   GLU  55          2HB       GLU  55  26.506 -18.486  -8.006
  380   1HG   GLU  55          1HG       GLU  55  24.694 -20.099  -7.817
  381   2HG   GLU  55          2HG       GLU  55  23.678 -19.086  -8.843
  382    H    GLU  56           H        GLU  56  23.776 -19.699  -6.880
  383    HA   GLU  56           HA       GLU  56  23.940 -20.010  -4.014
  384   1HB   GLU  56          1HB       GLU  56  22.724 -22.118  -4.405
  385   2HB   GLU  56          2HB       GLU  56  21.933 -20.747  -5.172
  386   1HG   GLU  56          1HG       GLU  56  22.895 -21.394  -7.321
  387   2HG   GLU  56          2HG       GLU  56  23.680 -22.773  -6.551
  388    H    GLU  57           H        GLU  57  24.290 -22.760  -3.772
  389    HA   GLU  57           HA       GLU  57  27.170 -22.974  -4.297
  390   1HB   GLU  57          1HB       GLU  57  26.484 -23.141  -1.950
  391   2HB   GLU  57          2HB       GLU  57  25.421 -24.485  -2.345
  392   1HG   GLU  57          1HG       GLU  57  27.349 -25.828  -2.998
  393   2HG   GLU  57          2HG       GLU  57  28.419 -24.479  -2.618
  394    H    CYS  58           H        CYS  58  26.179 -25.961  -3.464
  395    HA   CYS  58           HA       CYS  58  25.905 -26.806  -6.274
  396   1HB   CYS  58          1HB       CYS  58  28.013 -27.545  -5.253
  397   2HB   CYS  58          2HB       CYS  58  27.116 -28.323  -3.953
  398    H    GLU  59           H        GLU  59  25.309 -28.325  -3.105
  399    HA   GLU  59           HA       GLU  59  22.784 -29.374  -4.139
  400   1HB   GLU  59          1HB       GLU  59  24.272 -30.001  -1.581
  401   2HB   GLU  59          2HB       GLU  59  22.802 -30.799  -2.124
  402   1HG   GLU  59          1HG       GLU  59  25.460 -30.840  -3.537
  403   2HG   GLU  59          2HG       GLU  59  24.766 -32.151  -2.582
  404    H    PHE  60           H        PHE  60  22.865 -29.194  -0.773
  405    HA   PHE  60           HA       PHE  60  21.397 -26.663  -0.684
  406   1HB   PHE  60          1HB       PHE  60  19.612 -27.681   0.677
  407   2HB   PHE  60          2HB       PHE  60  19.683 -28.379  -0.938
  408    HD1  PHE  60           HD1      PHE  60  20.513 -30.654  -1.272
  409    HD2  PHE  60           HD2      PHE  60  20.101 -28.983   2.620
  410    HE1  PHE  60           HE1      PHE  60  20.673 -32.906  -0.292
  411    HE2  PHE  60           HE2      PHE  60  20.260 -31.231   3.607
  412    HZ   PHE  60           HZ       PHE  60  20.547 -33.196   2.151
  413    H1   GLU   1           H1       GLU   1  36.890 -32.622  -9.862
  414    H2   GLU   1           H2       GLU   1  36.922 -33.741  -8.594
  415    H3   GLU   1           H3       GLU   1  36.914 -34.279 -10.197
  416    HA   GLU   1           HA       GLU   1  34.748 -34.562  -9.218
  417   1HB   GLU   1          1HB       GLU   1  33.453 -32.603  -8.519
  418   2HB   GLU   1          2HB       GLU   1  34.912 -32.776  -7.554
  419   1HG   GLU   1          1HG       GLU   1  34.523 -30.865  -9.846
  420   2HG   GLU   1          2HG       GLU   1  34.499 -30.454  -8.131
  421    H    ALA   2           H        ALA   2  35.067 -35.112 -11.544
  422    HA   ALA   2           HA       ALA   2  33.555 -33.225 -13.224
  423   1HB   ALA   2          1HB       ALA   2  35.868 -34.936 -14.128
  424   2HB   ALA   2          2HB       ALA   2  35.917 -33.192 -13.868
  425   3HB   ALA   2          3HB       ALA   2  34.906 -33.865 -15.147
  426    H    GLN   3           H        GLN   3  33.705 -35.093 -15.479
  427    HA   GLN   3           HA       GLN   3  32.200 -37.406 -14.517
  428   1HB   GLN   3          1HB       GLN   3  31.156 -35.489 -16.610
  429   2HB   GLN   3          2HB       GLN   3  30.413 -37.022 -16.176
  430   1HG   GLN   3          1HG       GLN   3  30.027 -36.198 -13.910
  431   2HG   GLN   3          2HG       GLN   3  30.774 -34.660 -14.344
  432   2HE2  GLN   3          2HE2      GLN   3  27.997 -36.712 -14.724
  433   1HE2  GLN   3          1HE2      GLN   3  26.956 -35.520 -15.416
  434    H    THR   4           H        THR   4  32.142 -39.158 -15.966
  435    HA   THR   4           HA       THR   4  33.659 -38.905 -18.452
  436    HB   THR   4           HB       THR   4  35.021 -40.893 -17.944
  437    HG1  THR   4           HG1      THR   4  33.545 -41.713 -16.291
  438   1HG2  THR   4          1HG2      THR   4  35.965 -38.675 -17.534
  439   2HG2  THR   4          2HG2      THR   4  35.301 -38.685 -15.900
  440   3HG2  THR   4          3HG2      THR   4  36.558 -39.837 -16.349
  441    H    GLU   5           H        GLU   5  33.267 -40.574 -19.963
  442    HA   GLU   5           HA       GLU   5  30.688 -41.871 -19.580
  443   1HB   GLU   5          1HB       GLU   5  32.441 -41.656 -22.036
  444   2HB   GLU   5          2HB       GLU   5  30.826 -42.350 -21.997
  445   1HG   GLU   5          1HG       GLU   5  29.907 -40.186 -21.343
  446   2HG   GLU   5          2HG       GLU   5  31.527 -39.489 -21.377
  447    H    THR   6           H        THR   6  30.356 -44.111 -20.120
  448    HA   THR   6           HA       THR   6  32.718 -45.820 -20.169
  449    HB   THR   6           HB       THR   6  30.581 -46.092 -18.046
  450    HG1  THR   6           HG1      THR   6  32.483 -45.787 -16.670
  451   1HG2  THR   6          1HG2      THR   6  33.001 -47.807 -18.617
  452   2HG2  THR   6          2HG2      THR   6  31.916 -47.985 -17.238
  453   3HG2  THR   6          3HG2      THR   6  31.319 -48.271 -18.872
  454    H    CYS   7           H        CYS   7  32.060 -48.168 -20.431
  455    HA   CYS   7           HA       CYS   7  29.541 -48.391 -21.937
  456   1HB   CYS   7          1HB       CYS   7  32.216 -49.551 -22.742
  457   2HB   CYS   7          2HB       CYS   7  30.691 -49.834 -23.575
  458    H    THR   8           H        THR   8  29.866 -49.116 -19.253
  459    HA   THR   8           HA       THR   8  29.819 -52.060 -19.414
  460    HB   THR   8           HB       THR   8  31.648 -51.295 -17.990
  461    HG1  THR   8           HG1      THR   8  29.890 -53.046 -17.353
  462   1HG2  THR   8          1HG2      THR   8  30.733 -49.119 -17.344
  463   2HG2  THR   8          2HG2      THR   8  29.501 -49.921 -16.369
  464   3HG2  THR   8          3HG2      THR   8  31.202 -50.055 -15.925
  465    H    VAL   9           H        VAL   9  27.539 -50.822 -20.131
  466    HA   VAL   9           HA       VAL   9  25.813 -50.815 -17.752
  467    HB   VAL   9           HB       VAL   9  25.209 -49.843 -20.549
  468   1HG1  VAL   9          1HG1      VAL   9  23.212 -50.625 -19.400
  469   2HG1  VAL   9          2HG1      VAL   9  23.605 -49.623 -18.004
  470   3HG1  VAL   9          3HG1      VAL   9  23.197 -48.868 -19.545
  471   1HG2  VAL   9          1HG2      VAL   9  25.813 -48.305 -18.024
  472   2HG2  VAL   9          2HG2      VAL   9  26.859 -48.441 -19.437
  473   3HG2  VAL   9          3HG2      VAL   9  25.315 -47.599 -19.561
  474    H    ALA  10           H        ALA  10  23.564 -51.708 -18.155
  475    HA   ALA  10           HA       ALA  10  23.808 -54.441 -18.967
  476   1HB   ALA  10          1HB       ALA  10  21.350 -52.892 -18.156
  477   2HB   ALA  10          2HB       ALA  10  21.480 -54.646 -18.281
  478   3HB   ALA  10          3HB       ALA  10  22.416 -53.777 -17.065
  479    HA   PRO  11           HA       PRO  11  23.110 -53.879 -23.331
  480   1HB   PRO  11          1HB       PRO  11  22.016 -56.633 -22.931
  481   2HB   PRO  11          2HB       PRO  11  23.132 -56.035 -24.165
  482   1HG   PRO  11          1HG       PRO  11  24.029 -57.446 -22.093
  483   2HG   PRO  11          2HG       PRO  11  24.951 -56.073 -22.731
  484   1HD   PRO  11          1HD       PRO  11  23.354 -56.285 -20.233
  485   2HD   PRO  11          2HD       PRO  11  24.795 -55.307 -20.575
  486    H    ARG  12           H        ARG  12  20.711 -54.886 -20.999
  487    HA   ARG  12           HA       ARG  12  18.510 -54.473 -22.849
  488   1HB   ARG  12          1HB       ARG  12  17.083 -55.101 -20.945
  489   2HB   ARG  12          2HB       ARG  12  18.338 -56.295 -21.242
  490   1HG   ARG  12          1HG       ARG  12  19.654 -55.372 -19.399
  491   2HG   ARG  12          2HG       ARG  12  18.387 -54.180 -19.099
  492   1HD   ARG  12          1HD       ARG  12  18.211 -56.061 -17.554
  493   2HD   ARG  12          2HD       ARG  12  16.804 -55.971 -18.613
  494    HE   ARG  12           HE       ARG  12  18.598 -57.699 -19.822
  495   1HH1  ARG  12          1HH1      ARG  12  16.785 -57.535 -16.854
  496   2HH1  ARG  12          2HH1      ARG  12  16.651 -59.253 -16.688
  497   1HH2  ARG  12          1HH2      ARG  12  18.427 -59.965 -19.615
  498   2HH2  ARG  12          2HH2      ARG  12  17.585 -60.635 -18.257
  499    H    GLU  13           H        GLU  13  20.154 -52.797 -20.275
  500    HA   GLU  13           HA       GLU  13  18.176 -50.623 -20.415
  501   1HB   GLU  13          1HB       GLU  13  20.254 -51.200 -18.296
  502   2HB   GLU  13          2HB       GLU  13  19.120 -49.855 -18.270
  503   1HG   GLU  13          1HG       GLU  13  18.400 -52.777 -18.186
  504   2HG   GLU  13          2HG       GLU  13  18.392 -51.663 -16.819
  505    H    ARG  14           H        ARG  14  20.169 -51.020 -22.445
  506    HA   ARG  14           HA       ARG  14  22.106 -48.886 -21.962
  507   1HB   ARG  14          1HB       ARG  14  21.822 -50.791 -24.293
  508   2HB   ARG  14          2HB       ARG  14  23.109 -49.610 -24.101
  509   1HG   ARG  14          1HG       ARG  14  23.849 -50.749 -22.065
  510   2HG   ARG  14          2HG       ARG  14  22.566 -51.943 -22.278
  511   1HD   ARG  14          1HD       ARG  14  23.538 -52.606 -24.421
  512   2HD   ARG  14          2HD       ARG  14  24.813 -51.407 -24.216
  513    HE   ARG  14           HE       ARG  14  24.832 -53.084 -21.982
  514   1HH1  ARG  14          1HH1      ARG  14  25.456 -53.234 -25.405
  515   2HH1  ARG  14          2HH1      ARG  14  26.617 -54.512 -25.269
  516   1HH2  ARG  14          1HH2      ARG  14  26.364 -54.763 -21.791
  517   2HH2  ARG  14          2HH2      ARG  14  27.133 -55.382 -23.213
  518    H    GLN  15           H        GLN  15  22.299 -47.076 -23.318
  519    HA   GLN  15           HA       GLN  15  19.778 -46.133 -24.363
  520   1HB   GLN  15          1HB       GLN  15  22.490 -44.800 -24.269
  521   2HB   GLN  15          2HB       GLN  15  20.986 -44.012 -24.723
  522   1HG   GLN  15          1HG       GLN  15  21.590 -43.477 -22.440
  523   2HG   GLN  15          2HG       GLN  15  20.093 -44.409 -22.491
  524   2HE2  GLN  15          2HE2      GLN  15  20.319 -45.106 -20.376
  525   1HE2  GLN  15          1HE2      GLN  15  21.495 -46.284 -19.909
  526    H    ASN  16           H        ASN  16  19.310 -47.237 -26.225
  527    HA   ASN  16           HA       ASN  16  20.893 -48.119 -28.234
  528   1HB   ASN  16          1HB       ASN  16  18.468 -48.445 -28.211
  529   2HB   ASN  16          2HB       ASN  16  18.221 -46.738 -28.573
  530   2HD2  ASN  16          2HD2      ASN  16  19.233 -49.819 -29.813
  531   1HD2  ASN  16          1HD2      ASN  16  19.197 -49.387 -31.485
  532    H    CYS  17           H        CYS  17  22.150 -47.301 -29.796
  533    HA   CYS  17           HA       CYS  17  21.855 -44.518 -30.605
  534   1HB   CYS  17          1HB       CYS  17  23.444 -44.362 -28.781
  535   2HB   CYS  17          2HB       CYS  17  24.413 -45.660 -29.471
  536    H    GLY  18           H        GLY  18  22.068 -47.609 -31.462
  537   1HA   GLY  18          1HA       GLY  18  23.984 -47.544 -33.582
  538   2HA   GLY  18          2HA       GLY  18  22.360 -47.228 -34.171
  539    H    PHE  19           H        PHE  19  21.466 -48.968 -35.007
  540    HA   PHE  19           HA       PHE  19  20.804 -51.281 -33.734
  541   1HB   PHE  19          1HB       PHE  19  20.572 -52.318 -35.962
  542   2HB   PHE  19          2HB       PHE  19  19.909 -50.688 -35.922
  543    HD1  PHE  19           HD1      PHE  19  22.544 -52.834 -37.246
  544    HD2  PHE  19           HD2      PHE  19  20.989 -48.875 -37.115
  545    HE1  PHE  19           HE1      PHE  19  23.948 -52.224 -39.172
  546    HE2  PHE  19           HE2      PHE  19  22.389 -48.257 -39.042
  547    HZ   PHE  19           HZ       PHE  19  23.870 -49.933 -40.073
  548    HA   PRO  20           HA       PRO  20  24.299 -53.912 -33.300
  549   1HB   PRO  20          1HB       PRO  20  23.435 -56.324 -34.220
  550   2HB   PRO  20          2HB       PRO  20  22.905 -55.629 -32.684
  551   1HG   PRO  20          1HG       PRO  20  21.520 -55.638 -35.337
  552   2HG   PRO  20          2HG       PRO  20  20.847 -55.930 -33.723
  553   1HD   PRO  20          1HD       PRO  20  20.584 -53.558 -34.993
  554   2HD   PRO  20          2HD       PRO  20  20.729 -53.679 -33.228
  555    H    GLY  21           H        GLY  21  22.802 -53.910 -36.484
  556   1HA   GLY  21          1HA       GLY  21  23.691 -54.088 -38.592
  557   2HA   GLY  21          2HA       GLY  21  24.818 -55.250 -37.908
  558    H    VAL  22           H        VAL  22  24.970 -52.283 -36.320
  559    HA   VAL  22           HA       VAL  22  26.644 -50.822 -38.070
  560    HB   VAL  22           HB       VAL  22  27.202 -49.441 -36.132
  561   1HG1  VAL  22          1HG1      VAL  22  25.082 -49.049 -37.262
  562   2HG1  VAL  22          2HG1      VAL  22  24.291 -50.226 -36.212
  563   3HG1  VAL  22          3HG1      VAL  22  24.936 -48.730 -35.533
  564   1HG2  VAL  22          1HG2      VAL  22  25.732 -51.531 -34.528
  565   2HG2  VAL  22          2HG2      VAL  22  27.463 -51.196 -34.468
  566   3HG2  VAL  22          3HG2      VAL  22  26.310 -49.983 -33.911
  567    H    THR  23           H        THR  23  28.927 -50.217 -37.509
  568    HA   THR  23           HA       THR  23  30.421 -52.543 -36.489
  569    HB   THR  23           HB       THR  23  32.173 -52.104 -38.165
  570    HG1  THR  23           HG1      THR  23  30.727 -50.627 -39.891
  571   1HG2  THR  23          1HG2      THR  23  30.451 -53.767 -38.657
  572   2HG2  THR  23          2HG2      THR  23  29.430 -52.515 -39.363
  573   3HG2  THR  23          3HG2      THR  23  30.961 -52.940 -40.128
  574    HA   PRO  24           HA       PRO  24  33.087 -50.108 -33.976
  575   1HB   PRO  24          1HB       PRO  24  35.330 -50.401 -35.919
  576   2HB   PRO  24          2HB       PRO  24  35.290 -50.741 -34.185
  577   1HG   PRO  24          1HG       PRO  24  35.220 -52.726 -35.957
  578   2HG   PRO  24          2HG       PRO  24  34.248 -52.793 -34.476
  579   1HD   PRO  24          1HD       PRO  24  33.399 -52.225 -37.279
  580   2HD   PRO  24          2HD       PRO  24  32.535 -53.083 -35.988
  581    H    SER  25           H        SER  25  33.683 -49.394 -37.416
  582    HA   SER  25           HA       SER  25  34.432 -46.680 -36.907
  583   1HB   SER  25          1HB       SER  25  33.675 -48.053 -39.498
  584   2HB   SER  25          2HB       SER  25  34.397 -46.449 -39.370
  585    HG   SER  25           HG       SER  25  36.228 -47.415 -38.440
  586    H    GLN  26           H        GLN  26  31.542 -48.245 -38.262
  587    HA   GLN  26           HA       GLN  26  30.055 -45.977 -38.833
  588   1HB   GLN  26          1HB       GLN  26  29.055 -48.647 -37.828
  589   2HB   GLN  26          2HB       GLN  26  28.066 -47.422 -38.610
  590   1HG   GLN  26          1HG       GLN  26  29.387 -47.652 -40.649
  591   2HG   GLN  26          2HG       GLN  26  30.382 -48.878 -39.865
  592   2HE2  GLN  26          2HE2      GLN  26  27.275 -48.148 -41.234
  593   1HE2  GLN  26          1HE2      GLN  26  26.707 -49.775 -41.330
  594    H    CYS  27           H        CYS  27  30.226 -47.816 -35.797
  595    HA   CYS  27           HA       CYS  27  28.359 -46.234 -34.390
  596   1HB   CYS  27          1HB       CYS  27  29.053 -48.500 -33.676
  597   2HB   CYS  27          2HB       CYS  27  30.650 -47.870 -33.281
  598    H    ALA  28           H        ALA  28  31.883 -46.370 -33.839
  599    HA   ALA  28           HA       ALA  28  32.262 -44.161 -32.323
  600   1HB   ALA  28          1HB       ALA  28  34.071 -45.657 -33.019
  601   2HB   ALA  28          2HB       ALA  28  34.496 -43.965 -33.279
  602   3HB   ALA  28          3HB       ALA  28  34.011 -44.973 -34.644
  603    H    ASN  29           H        ASN  29  31.856 -44.210 -35.840
  604    HA   ASN  29           HA       ASN  29  32.263 -41.555 -36.454
  605   1HB   ASN  29          1HB       ASN  29  31.815 -43.249 -38.157
  606   2HB   ASN  29          2HB       ASN  29  30.160 -43.418 -37.579
  607   2HD2  ASN  29          2HD2      ASN  29  28.667 -41.803 -38.013
  608   1HD2  ASN  29          1HD2      ASN  29  28.941 -40.596 -39.218
  609    H    LYS  30           H        LYS  30  29.448 -43.087 -35.004
  610    HA   LYS  30           HA       LYS  30  27.957 -40.605 -34.912
  611   1HB   LYS  30          1HB       LYS  30  27.373 -43.291 -33.648
  612   2HB   LYS  30          2HB       LYS  30  26.264 -41.929 -33.714
  613   1HG   LYS  30          1HG       LYS  30  27.347 -43.438 -36.084
  614   2HG   LYS  30          2HG       LYS  30  25.727 -43.593 -35.402
  615   1HD   LYS  30          1HD       LYS  30  25.281 -41.245 -35.927
  616   2HD   LYS  30          2HD       LYS  30  26.906 -41.084 -36.600
  617   1HE   LYS  30          1HE       LYS  30  25.250 -41.397 -38.364
  618   2HE   LYS  30          2HE       LYS  30  26.375 -42.753 -38.298
  619   1HZ   LYS  30          1HZ       LYS  30  24.714 -44.021 -37.080
  620   2HZ   LYS  30          2HZ       LYS  30  23.636 -42.720 -37.150
  621   3HZ   LYS  30          3HZ       LYS  30  24.103 -43.510 -38.572
  622    H    GLY  31           H        GLY  31  29.814 -42.660 -32.734
  623   1HA   GLY  31          1HA       GLY  31  29.944 -40.405 -30.857
  624   2HA   GLY  31          2HA       GLY  31  31.092 -41.733 -30.954
  625    H    CYS  32           H        CYS  32  29.832 -43.965 -30.625
  626    HA   CYS  32           HA       CYS  32  28.759 -43.752 -27.937
  627   1HB   CYS  32          1HB       CYS  32  27.214 -45.074 -30.174
  628   2HB   CYS  32          2HB       CYS  32  26.827 -45.233 -28.464
  629    H    CYS  33           H        CYS  33  28.384 -46.020 -27.017
  630    HA   CYS  33           HA       CYS  33  30.780 -47.500 -27.290
  631   1HB   CYS  33          1HB       CYS  33  28.179 -48.261 -25.945
  632   2HB   CYS  33          2HB       CYS  33  29.706 -49.113 -25.750
  633    H    PHE  34           H        PHE  34  31.109 -49.609 -28.080
  634    HA   PHE  34           HA       PHE  34  29.043 -50.600 -29.929
  635   1HB   PHE  34          1HB       PHE  34  30.813 -49.506 -31.224
  636   2HB   PHE  34          2HB       PHE  34  32.025 -50.511 -30.437
  637    HD1  PHE  34           HD1      PHE  34  29.495 -50.329 -33.020
  638    HD2  PHE  34           HD2      PHE  34  32.136 -52.923 -30.921
  639    HE1  PHE  34           HE1      PHE  34  29.213 -52.030 -34.776
  640    HE2  PHE  34           HE2      PHE  34  31.860 -54.628 -32.673
  641    HZ   PHE  34           HZ       PHE  34  30.397 -54.182 -34.604
  642    H    ASP  35           H        ASP  35  28.412 -52.578 -29.404
  643    HA   ASP  35           HA       ASP  35  30.381 -54.458 -28.303
  644   1HB   ASP  35          1HB       ASP  35  29.109 -53.571 -26.408
  645   2HB   ASP  35          2HB       ASP  35  27.598 -53.996 -27.206
  646    H    ASP  36           H        ASP  36  30.521 -55.727 -30.093
  647    HA   ASP  36           HA       ASP  36  28.057 -56.713 -31.323
  648   1HB   ASP  36          1HB       ASP  36  29.537 -57.586 -33.094
  649   2HB   ASP  36          2HB       ASP  36  29.766 -55.858 -32.843
  650    H    THR  37           H        THR  37  28.380 -57.688 -28.803
  651    HA   THR  37           HA       THR  37  29.241 -60.472 -29.261
  652    HB   THR  37           HB       THR  37  29.678 -60.650 -26.845
  653    HG1  THR  37           HG1      THR  37  28.669 -58.040 -26.900
  654   1HG2  THR  37          1HG2      THR  37  31.520 -60.067 -28.342
  655   2HG2  THR  37          2HG2      THR  37  31.133 -58.356 -28.167
  656   3HG2  THR  37          3HG2      THR  37  31.710 -59.276 -26.777
  657    H    VAL  38           H        VAL  38  26.890 -58.359 -27.682
  658    HA   VAL  38           HA       VAL  38  25.207 -60.625 -26.973
  659    HB   VAL  38           HB       VAL  38  24.742 -57.669 -26.554
  660   1HG1  VAL  38          1HG1      VAL  38  22.659 -58.929 -26.623
  661   2HG1  VAL  38          2HG1      VAL  38  23.292 -60.064 -25.432
  662   3HG1  VAL  38          3HG1      VAL  38  23.005 -58.384 -24.981
  663   1HG2  VAL  38          1HG2      VAL  38  25.726 -59.789 -24.647
  664   2HG2  VAL  38          2HG2      VAL  38  26.678 -58.464 -25.315
  665   3HG2  VAL  38          3HG2      VAL  38  25.340 -58.123 -24.218
  666    H    ARG  39           H        ARG  39  23.287 -61.139 -27.917
  667    HA   ARG  39           HA       ARG  39  22.749 -59.893 -30.502
  668   1HB   ARG  39          1HB       ARG  39  21.605 -62.402 -29.260
  669   2HB   ARG  39          2HB       ARG  39  21.292 -61.840 -30.896
  670   1HG   ARG  39          1HG       ARG  39  23.967 -62.680 -29.797
  671   2HG   ARG  39          2HG       ARG  39  22.940 -63.622 -30.880
  672   1HD   ARG  39          1HD       ARG  39  23.150 -61.882 -32.588
  673   2HD   ARG  39          2HD       ARG  39  24.173 -60.940 -31.504
  674    HE   ARG  39           HE       ARG  39  25.258 -63.522 -31.859
  675   1HH1  ARG  39          1HH1      ARG  39  24.804 -60.503 -33.533
  676   2HH1  ARG  39          2HH1      ARG  39  26.191 -60.708 -34.549
  677   1HH2  ARG  39          1HH2      ARG  39  27.088 -63.804 -33.192
  678   2HH2  ARG  39          2HH2      ARG  39  27.489 -62.586 -34.357
  679    H    GLY  40           H        GLY  40  20.470 -59.523 -31.134
  680   1HA   GLY  40          1HA       GLY  40  18.460 -59.231 -29.126
  681   2HA   GLY  40          2HA       GLY  40  18.362 -58.659 -30.784
  682    H    VAL  41           H        VAL  41  20.603 -57.852 -28.142
  683    HA   VAL  41           HA       VAL  41  19.466 -55.241 -27.782
  684    HB   VAL  41           HB       VAL  41  21.297 -54.850 -26.215
  685   1HG1  VAL  41          1HG1      VAL  41  20.078 -57.594 -25.930
  686   2HG1  VAL  41          2HG1      VAL  41  20.807 -56.654 -24.628
  687   3HG1  VAL  41          3HG1      VAL  41  19.346 -56.070 -25.427
  688   1HG2  VAL  41          1HG2      VAL  41  22.345 -57.521 -27.148
  689   2HG2  VAL  41          2HG2      VAL  41  23.091 -55.950 -27.437
  690   3HG2  VAL  41          3HG2      VAL  41  22.980 -56.586 -25.795
  691    HA   PRO  42           HA       PRO  42  21.775 -52.980 -30.776
  692   1HB   PRO  42          1HB       PRO  42  22.010 -50.576 -29.533
  693   2HB   PRO  42          2HB       PRO  42  20.490 -51.157 -30.223
  694   1HG   PRO  42          1HG       PRO  42  21.418 -51.200 -27.377
  695   2HG   PRO  42          2HG       PRO  42  19.822 -50.781 -28.028
  696   1HD   PRO  42          1HD       PRO  42  20.359 -53.199 -26.935
  697   2HD   PRO  42          2HD       PRO  42  19.199 -52.989 -28.262
  698    H    TRP  43           H        TRP  43  23.855 -53.336 -31.210
  699    HA   TRP  43           HA       TRP  43  25.853 -53.686 -29.254
  700   1HB   TRP  43          1HB       TRP  43  26.137 -53.115 -32.213
  701   2HB   TRP  43          2HB       TRP  43  27.431 -53.680 -31.162
  702    HD1  TRP  43           HD1      TRP  43  24.463 -55.472 -30.075
  703    HE1  TRP  43           HE1      TRP  43  24.338 -57.816 -31.132
  704    HE3  TRP  43           HE3      TRP  43  27.960 -54.890 -33.758
  705    HZ2  TRP  43           HZ2      TRP  43  25.560 -59.231 -33.246
  706    HZ3  TRP  43           HZ3      TRP  43  28.424 -56.788 -35.255
  707    HH2  TRP  43           HH2      TRP  43  27.248 -58.913 -35.002
  708    H    CYS  44           H        CYS  44  25.134 -50.966 -31.423
  709    HA   CYS  44           HA       CYS  44  27.120 -49.335 -30.030
  710   1HB   CYS  44          1HB       CYS  44  27.102 -49.297 -32.496
  711   2HB   CYS  44          2HB       CYS  44  25.449 -48.695 -32.468
  712    H    PHE  45           H        PHE  45  26.346 -48.563 -28.159
  713    HA   PHE  45           HA       PHE  45  23.797 -47.099 -28.241
  714   1HB   PHE  45          1HB       PHE  45  23.319 -47.910 -25.941
  715   2HB   PHE  45          2HB       PHE  45  23.349 -49.206 -27.133
  716    HD1  PHE  45           HD1      PHE  45  25.230 -50.780 -27.204
  717    HD2  PHE  45           HD2      PHE  45  24.913 -47.811 -24.172
  718    HE1  PHE  45           HE1      PHE  45  26.886 -51.993 -25.850
  719    HE2  PHE  45           HE2      PHE  45  26.569 -49.020 -22.811
  720    HZ   PHE  45           HZ       PHE  45  27.559 -51.113 -23.650
  721    H    TYR  46           H        TYR  46  23.633 -45.312 -26.842
  722    HA   TYR  46           HA       TYR  46  25.895 -43.740 -26.546
  723   1HB   TYR  46          1HB       TYR  46  23.322 -43.614 -24.960
  724   2HB   TYR  46          2HB       TYR  46  24.522 -42.329 -25.050
  725    HD1  TYR  46           HD1      TYR  46  24.812 -41.044 -27.120
  726    HD2  TYR  46           HD2      TYR  46  21.804 -44.034 -26.784
  727    HE1  TYR  46           HE1      TYR  46  23.697 -40.139 -29.117
  728    HE2  TYR  46           HE2      TYR  46  20.682 -43.137 -28.779
  729    HH   TYR  46           HH       TYR  46  20.552 -41.014 -30.021
  730    HA   PRO  47           HA       PRO  47  27.936 -45.342 -22.972
  731   1HB   PRO  47          1HB       PRO  47  29.342 -43.151 -22.231
  732   2HB   PRO  47          2HB       PRO  47  29.752 -44.108 -23.659
  733   1HG   PRO  47          1HG       PRO  47  28.234 -41.535 -23.475
  734   2HG   PRO  47          2HG       PRO  47  29.485 -42.014 -24.635
  735   1HD   PRO  47          1HD       PRO  47  26.833 -42.093 -25.213
  736   2HD   PRO  47          2HD       PRO  47  28.006 -43.219 -25.922
  737    H    ASN  48           H        ASN  48  28.547 -44.351 -20.645
  738    HA   ASN  48           HA       ASN  48  26.076 -43.181 -19.547
  739   1HB   ASN  48          1HB       ASN  48  26.427 -44.543 -17.522
  740   2HB   ASN  48          2HB       ASN  48  26.217 -45.547 -18.954
  741   2HD2  ASN  48          2HD2      ASN  48  27.264 -47.291 -18.033
  742   1HD2  ASN  48          1HD2      ASN  48  28.974 -47.321 -17.783
  743    H    THR  49           H        THR  49  26.305 -41.432 -18.292
  744    HA   THR  49           HA       THR  49  29.014 -40.455 -17.801
  745    HB   THR  49           HB       THR  49  27.938 -38.306 -17.254
  746    HG1  THR  49           HG1      THR  49  25.694 -39.903 -17.256
  747   1HG2  THR  49          1HG2      THR  49  28.556 -38.769 -19.574
  748   2HG2  THR  49          2HG2      THR  49  26.981 -39.511 -19.855
  749   3HG2  THR  49          3HG2      THR  49  27.093 -37.787 -19.499
  750    H    ILE  50           H        ILE  50  29.940 -40.558 -15.866
  751    HA   ILE  50           HA       ILE  50  28.231 -40.756 -13.480
  752    HB   ILE  50           HB       ILE  50  30.711 -42.395 -14.007
  753   1HG1  ILE  50          1HG1      ILE  50  27.812 -43.202 -13.684
  754   2HG1  ILE  50          2HG1      ILE  50  28.728 -43.228 -15.189
  755   1HG2  ILE  50          1HG2      ILE  50  30.593 -41.697 -11.683
  756   2HG2  ILE  50          2HG2      ILE  50  28.934 -42.284 -11.575
  757   3HG2  ILE  50          3HG2      ILE  50  30.257 -43.422 -11.828
  758   1HD1  ILE  50          1HD1      ILE  50  30.210 -44.926 -14.254
  759   2HD1  ILE  50          2HD1      ILE  50  29.287 -44.901 -12.752
  760   3HD1  ILE  50          3HD1      ILE  50  28.526 -45.451 -14.245
  761    H    ASP  51           H        ASP  51  29.288 -40.113 -11.484
  762    HA   ASP  51           HA       ASP  51  31.781 -38.650 -11.685
  763   1HB   ASP  51          1HB       ASP  51  30.818 -36.544 -10.833
  764   2HB   ASP  51          2HB       ASP  51  30.171 -36.964 -12.415
  765    H    VAL  52           H        VAL  52  32.109 -37.462  -9.431
  766    HA   VAL  52           HA       VAL  52  31.600 -39.518  -7.403
  767    HB   VAL  52           HB       VAL  52  33.590 -37.244  -7.370
  768   1HG1  VAL  52          1HG1      VAL  52  33.228 -39.566  -5.480
  769   2HG1  VAL  52          2HG1      VAL  52  34.545 -38.394  -5.425
  770   3HG1  VAL  52          3HG1      VAL  52  32.886 -37.872  -5.129
  771   1HG2  VAL  52          1HG2      VAL  52  33.992 -40.195  -7.855
  772   2HG2  VAL  52          2HG2      VAL  52  34.144 -38.911  -9.055
  773   3HG2  VAL  52          3HG2      VAL  52  35.275 -38.995  -7.704
  774    HA   PRO  53           HA       PRO  53  28.576 -36.588  -5.804
  775   1HB   PRO  53          1HB       PRO  53  28.015 -38.730  -3.883
  776   2HB   PRO  53          2HB       PRO  53  26.951 -38.006  -5.090
  777   1HG   PRO  53          1HG       PRO  53  27.892 -40.523  -5.331
  778   2HG   PRO  53          2HG       PRO  53  27.592 -39.485  -6.737
  779   1HD   PRO  53          1HD       PRO  53  30.183 -40.133  -5.377
  780   2HD   PRO  53          2HD       PRO  53  29.821 -40.010  -7.112
  781    HA   PRO  54           HA       PRO  54  31.409 -35.365  -2.491
  782   1HB   PRO  54          1HB       PRO  54  30.478 -32.823  -2.306
  783   2HB   PRO  54          2HB       PRO  54  31.617 -33.338  -3.555
  784   1HG   PRO  54          1HG       PRO  54  28.649 -32.981  -3.728
  785   2HG   PRO  54          2HG       PRO  54  29.903 -32.499  -4.885
  786   1HD   PRO  54          1HD       PRO  54  28.405 -34.732  -5.205
  787   2HD   PRO  54          2HD       PRO  54  30.087 -34.624  -5.761
  788    H    GLU  55           H        GLU  55  29.932 -33.099  -1.041
  789    HA   GLU  55           HA       GLU  55  27.800 -34.534   0.312
  790   1HB   GLU  55          1HB       GLU  55  28.809 -34.264   2.537
  791   2HB   GLU  55          2HB       GLU  55  29.776 -35.311   1.507
  792   1HG   GLU  55          1HG       GLU  55  31.308 -33.465   1.061
  793   2HG   GLU  55          2HG       GLU  55  30.337 -32.412   2.090
  794    H    GLU  56           H        GLU  56  29.845 -31.641   0.208
  795    HA   GLU  56           HA       GLU  56  27.473 -30.050   0.937
  796   1HB   GLU  56          1HB       GLU  56  28.993 -28.408   1.959
  797   2HB   GLU  56          2HB       GLU  56  29.114 -29.982   2.733
  798   1HG   GLU  56          1HG       GLU  56  31.153 -30.445   1.465
  799   2HG   GLU  56          2HG       GLU  56  31.033 -28.858   0.705
  800    H    GLU  57           H        GLU  57  30.705 -29.362  -0.402
  801    HA   GLU  57           HA       GLU  57  29.373 -27.877  -2.571
  802   1HB   GLU  57          1HB       GLU  57  32.094 -27.399  -1.343
  803   2HB   GLU  57          2HB       GLU  57  31.412 -26.491  -2.684
  804   1HG   GLU  57          1HG       GLU  57  29.609 -25.704  -1.241
  805   2HG   GLU  57          2HG       GLU  57  30.288 -26.618   0.105
  806    H    CYS  58           H        CYS  58  29.446 -28.953  -4.424
  807    HA   CYS  58           HA       CYS  58  31.482 -30.943  -4.920
  808   1HB   CYS  58          1HB       CYS  58  30.232 -31.402  -6.979
  809   2HB   CYS  58          2HB       CYS  58  29.162 -31.378  -5.583
  810    H    GLU  59           H        GLU  59  32.647 -28.461  -4.655
  811    HA   GLU  59           HA       GLU  59  34.007 -28.231  -7.174
  812   1HB   GLU  59          1HB       GLU  59  32.085 -26.787  -7.612
  813   2HB   GLU  59          2HB       GLU  59  32.411 -25.881  -6.142
  814   1HG   GLU  59          1HG       GLU  59  34.206 -26.042  -8.552
  815   2HG   GLU  59          2HG       GLU  59  33.173 -24.683  -8.112
  816    H    PHE  60           H        PHE  60  36.037 -28.303  -6.478
  817    HA   PHE  60           HA       PHE  60  36.853 -26.428  -4.369
  818   1HB   PHE  60          1HB       PHE  60  37.717 -29.321  -4.565
  819   2HB   PHE  60          2HB       PHE  60  38.359 -28.143  -3.426
  820    HD1  PHE  60           HD1      PHE  60  36.928 -27.264  -1.619
  821    HD2  PHE  60           HD2      PHE  60  35.633 -30.394  -4.195
  822    HE1  PHE  60           HE1      PHE  60  35.151 -27.840  -0.018
  823    HE2  PHE  60           HE2      PHE  60  33.852 -30.975  -2.600
  824    HZ   PHE  60           HZ       PHE  60  33.610 -29.698  -0.508

  No H/Q in entry =         824
  Start of MODEL    3
    1    H1   GLU   1           H1       GLU   1  22.124 -13.932  -0.445
    2    H2   GLU   1           H2       GLU   1  23.378 -13.806   0.685
    3    H3   GLU   1           H3       GLU   1  23.363 -15.084  -0.422
    4    HA   GLU   1           HA       GLU   1  21.351 -15.962   0.564
    5   1HB   GLU   1          1HB       GLU   1  23.564 -15.448   2.562
    6   2HB   GLU   1          2HB       GLU   1  22.337 -16.700   2.701
    7   1HG   GLU   1          1HG       GLU   1  23.181 -17.763   0.677
    8   2HG   GLU   1          2HG       GLU   1  24.402 -16.501   0.520
    9    H    ALA   2           H        ALA   2  21.045 -13.003   0.591
   10    HA   ALA   2           HA       ALA   2  19.843 -12.650   3.253
   11   1HB   ALA   2          1HB       ALA   2  19.925 -10.254   2.825
   12   2HB   ALA   2          2HB       ALA   2  21.523 -10.977   2.643
   13   3HB   ALA   2          3HB       ALA   2  20.580 -10.552   1.214
   14    H    GLN   3           H        GLN   3  18.104 -14.090   2.337
   15    HA   GLN   3           HA       GLN   3  16.325 -12.841   0.418
   16   1HB   GLN   3          1HB       GLN   3  16.050 -15.423   1.968
   17   2HB   GLN   3          2HB       GLN   3  14.972 -14.887   0.687
   18   1HG   GLN   3          1HG       GLN   3  16.539 -16.541  -0.132
   19   2HG   GLN   3          2HG       GLN   3  16.808 -14.983  -0.911
   20   2HE2  GLN   3          2HE2      GLN   3  18.664 -13.807  -0.422
   21   1HE2  GLN   3          1HE2      GLN   3  20.030 -14.529   0.350
   22    H    THR   4           H        THR   4  15.160 -11.183   1.176
   23    HA   THR   4           HA       THR   4  13.320 -11.663   3.358
   24    HB   THR   4           HB       THR   4  13.935  -9.625   4.600
   25    HG1  THR   4           HG1      THR   4  15.687  -9.368   2.481
   26   1HG2  THR   4          1HG2      THR   4  14.817 -11.784   5.341
   27   2HG2  THR   4          2HG2      THR   4  16.217 -11.582   4.287
   28   3HG2  THR   4          3HG2      THR   4  15.975 -10.490   5.651
   29    H    GLU   5           H        GLU   5  11.522 -10.320   3.319
   30    HA   GLU   5           HA       GLU   5  11.186  -8.805   0.846
   31   1HB   GLU   5          1HB       GLU   5   9.156  -9.618   2.936
   32   2HB   GLU   5          2HB       GLU   5   8.789  -8.821   1.413
   33   1HG   GLU   5          1HG       GLU   5   9.659 -10.755   0.195
   34   2HG   GLU   5          2HG       GLU   5  10.010 -11.555   1.726
   35    H    THR   6           H        THR   6  10.973  -6.642   0.760
   36    HA   THR   6           HA       THR   6  11.112  -5.178   3.308
   37    HB   THR   6           HB       THR   6  11.959  -4.293   0.543
   38    HG1  THR   6           HG1      THR   6  13.434  -5.742   1.464
   39   1HG2  THR   6          1HG2      THR   6  11.115  -2.420   1.877
   40   2HG2  THR   6          2HG2      THR   6  12.194  -2.870   3.198
   41   3HG2  THR   6          3HG2      THR   6  12.863  -2.312   1.665
   42    H    CYS   7           H        CYS   7   9.896  -3.246   3.561
   43    HA   CYS   7           HA       CYS   7   7.664  -2.897   1.685
   44   1HB   CYS   7          1HB       CYS   7   7.438  -3.055   4.696
   45   2HB   CYS   7          2HB       CYS   7   6.135  -2.565   3.618
   46    H    THR   8           H        THR   8  10.275  -1.512   2.892
   47    HA   THR   8           HA       THR   8   9.136   1.071   3.596
   48    HB   THR   8           HB       THR   8  11.064   0.313   4.879
   49    HG1  THR   8           HG1      THR   8  11.252   2.593   3.250
   50   1HG2  THR   8          1HG2      THR   8  12.542   0.374   2.245
   51   2HG2  THR   8          2HG2      THR   8  13.279   0.125   3.828
   52   3HG2  THR   8          3HG2      THR   8  12.149  -1.065   3.186
   53    H    VAL   9           H        VAL   9   8.183   1.034   1.305
   54    HA   VAL   9           HA       VAL   9  10.104   1.917  -0.718
   55    HB   VAL   9           HB       VAL   9   7.155   1.319  -0.995
   56   1HG1  VAL   9          1HG1      VAL   9   7.921   2.937  -2.643
   57   2HG1  VAL   9          2HG1      VAL   9   9.252   1.870  -3.093
   58   3HG1  VAL   9          3HG1      VAL   9   7.585   1.383  -3.406
   59   1HG2  VAL   9          1HG2      VAL   9   8.444  -0.679  -0.469
   60   2HG2  VAL   9          2HG2      VAL   9   7.891  -0.719  -2.144
   61   3HG2  VAL   9          3HG2      VAL   9   9.568  -0.314  -1.779
   62    H    ALA  10           H        ALA  10   9.233   3.717  -2.193
   63    HA   ALA  10           HA       ALA  10   8.623   5.996  -0.493
   64   1HB   ALA  10          1HB       ALA  10  10.443   6.165  -2.124
   65   2HB   ALA  10          2HB       ALA  10   9.293   5.897  -3.432
   66   3HB   ALA  10          3HB       ALA  10   9.176   7.350  -2.440
   67    HA   PRO  11           HA       PRO  11   4.213   5.519  -1.185
   68   1HB   PRO  11          1HB       PRO  11   4.467   8.416  -0.474
   69   2HB   PRO  11          2HB       PRO  11   3.308   7.214   0.108
   70   1HG   PRO  11          1HG       PRO  11   5.390   7.942   1.607
   71   2HG   PRO  11          2HG       PRO  11   4.827   6.261   1.573
   72   1HD   PRO  11          1HD       PRO  11   7.252   7.468   0.363
   73   2HD   PRO  11          2HD       PRO  11   6.976   5.809   0.926
   74    H    ARG  12           H        ARG  12   6.401   7.747  -2.693
   75    HA   ARG  12           HA       ARG  12   4.418   8.652  -4.621
   76   1HB   ARG  12          1HB       ARG  12   7.369   9.276  -4.401
   77   2HB   ARG  12          2HB       ARG  12   6.244  10.040  -5.516
   78   1HG   ARG  12          1HG       ARG  12   6.140  10.193  -2.511
   79   2HG   ARG  12          2HG       ARG  12   6.677  11.468  -3.606
   80   1HD   ARG  12          1HD       ARG  12   4.447  11.553  -4.603
   81   2HD   ARG  12          2HD       ARG  12   3.910  10.269  -3.520
   82    HE   ARG  12           HE       ARG  12   4.977  12.514  -2.108
   83   1HH1  ARG  12          1HH1      ARG  12   2.143  11.275  -3.708
   84   2HH1  ARG  12          2HH1      ARG  12   1.041  12.253  -2.797
   85   1HH2  ARG  12          1HH2      ARG  12   3.537  13.807  -0.902
   86   2HH2  ARG  12          2HH2      ARG  12   1.835  13.694  -1.202
   87    H    GLU  13           H        GLU  13   7.073   6.410  -4.371
   88    HA   GLU  13           HA       GLU  13   6.823   5.777  -7.233
   89   1HB   GLU  13          1HB       GLU  13   9.049   5.108  -5.299
   90   2HB   GLU  13          2HB       GLU  13   9.015   4.670  -7.002
   91   1HG   GLU  13          1HG       GLU  13   9.022   7.032  -7.614
   92   2HG   GLU  13          2HG       GLU  13   9.048   7.474  -5.908
   93    H    ARG  14           H        ARG  14   5.755   4.753  -4.280
   94    HA   ARG  14           HA       ARG  14   6.094   2.001  -4.245
   95   1HB   ARG  14          1HB       ARG  14   3.676   3.600  -3.381
   96   2HB   ARG  14          2HB       ARG  14   3.982   1.923  -2.946
   97   1HG   ARG  14          1HG       ARG  14   6.024   2.604  -1.779
   98   2HG   ARG  14          2HG       ARG  14   5.691   4.286  -2.198
   99   1HD   ARG  14          1HD       ARG  14   3.583   4.171  -0.953
  100   2HD   ARG  14          2HD       ARG  14   3.929   2.495  -0.528
  101    HE   ARG  14           HE       ARG  14   6.097   3.979   0.329
  102   1HH1  ARG  14          1HH1      ARG  14   2.676   3.843   0.968
  103   2HH1  ARG  14          2HH1      ARG  14   2.829   4.389   2.605
  104   1HH2  ARG  14          1HH2      ARG  14   6.310   4.698   2.483
  105   2HH2  ARG  14          2HH2      ARG  14   4.895   4.875   3.466
  106    H    GLN  15           H        GLN  15   5.247   0.316  -5.321
  107    HA   GLN  15           HA       GLN  15   3.532   0.904  -7.607
  108   1HB   GLN  15          1HB       GLN  15   4.984  -1.634  -6.836
  109   2HB   GLN  15          2HB       GLN  15   4.080  -1.394  -8.324
  110   1HG   GLN  15          1HG       GLN  15   6.540   0.126  -7.486
  111   2HG   GLN  15          2HG       GLN  15   6.471  -1.161  -8.689
  112   2HE2  GLN  15          2HE2      GLN  15   7.242   0.170 -10.317
  113   1HE2  GLN  15          1HE2      GLN  15   6.278   1.415 -11.028
  114    H    ASN  16           H        ASN  16   1.632   1.292  -6.304
  115    HA   ASN  16           HA       ASN  16   0.342  -0.040  -4.448
  116   1HB   ASN  16          1HB       ASN  16  -0.709   1.736  -5.799
  117   2HB   ASN  16          2HB       ASN  16  -0.954   0.586  -7.111
  118   2HD2  ASN  16          2HD2      ASN  16  -3.179   0.878  -7.056
  119   1HD2  ASN  16          1HD2      ASN  16  -4.161   0.224  -5.795
  120    H    CYS  17           H        CYS  17  -0.991  -1.878  -4.189
  121    HA   CYS  17           HA       CYS  17  -0.518  -4.017  -6.160
  122   1HB   CYS  17          1HB       CYS  17   0.906  -4.400  -4.222
  123   2HB   CYS  17          2HB       CYS  17  -0.474  -4.232  -3.142
  124    H    GLY  18           H        GLY  18  -2.781  -2.071  -5.103
  125   1HA   GLY  18          1HA       GLY  18  -4.887  -3.514  -4.060
  126   2HA   GLY  18          2HA       GLY  18  -4.934  -3.806  -5.792
  127    H    PHE  19           H        PHE  19  -6.503  -2.158  -3.646
  128    HA   PHE  19           HA       PHE  19  -6.845   0.191  -5.378
  129   1HB   PHE  19          1HB       PHE  19  -9.090   0.392  -4.350
  130   2HB   PHE  19          2HB       PHE  19  -8.858  -1.146  -5.172
  131    HD1  PHE  19           HD1      PHE  19  -9.655   0.483  -2.081
  132    HD2  PHE  19           HD2      PHE  19  -8.349  -3.187  -3.795
  133    HE1  PHE  19           HE1      PHE  19 -10.318  -0.705  -0.031
  134    HE2  PHE  19           HE2      PHE  19  -9.009  -4.383  -1.748
  135    HZ   PHE  19           HZ       PHE  19  -9.996  -3.142   0.137
  136    HA   PRO  20           HA       PRO  20  -5.724   3.103  -2.297
  137   1HB   PRO  20          1HB       PRO  20  -7.834   4.807  -2.059
  138   2HB   PRO  20          2HB       PRO  20  -6.758   4.788  -3.459
  139   1HG   PRO  20          1HG       PRO  20  -9.460   3.546  -3.130
  140   2HG   PRO  20          2HG       PRO  20  -8.798   4.434  -4.515
  141   1HD   PRO  20          1HD       PRO  20  -8.925   1.737  -4.458
  142   2HD   PRO  20          2HD       PRO  20  -7.616   2.606  -5.283
  143    H    GLY  21           H        GLY  21  -8.859   1.607  -1.740
  144   1HA   GLY  21          1HA       GLY  21 -10.094   1.444   0.246
  145   2HA   GLY  21          2HA       GLY  21  -8.818   2.311   1.085
  146    H    VAL  22           H        VAL  22  -7.527  -0.134  -0.810
  147    HA   VAL  22           HA       VAL  22  -7.853  -2.538   0.242
  148    HB   VAL  22           HB       VAL  22  -5.443  -2.999   0.057
  149   1HG1  VAL  22          1HG1      VAL  22  -6.565  -1.252  -2.129
  150   2HG1  VAL  22          2HG1      VAL  22  -5.180  -2.330  -2.302
  151   3HG1  VAL  22          3HG1      VAL  22  -6.777  -2.994  -1.960
  152   1HG2  VAL  22          1HG2      VAL  22  -5.216  -0.008  -0.245
  153   2HG2  VAL  22          2HG2      VAL  22  -4.527  -1.002   1.039
  154   3HG2  VAL  22          3HG2      VAL  22  -3.926  -1.151  -0.613
  155    H    THR  23           H        THR  23  -6.999  -3.798   1.980
  156    HA   THR  23           HA       THR  23  -6.337  -2.226   4.384
  157    HB   THR  23           HB       THR  23  -7.567  -3.881   5.734
  158    HG1  THR  23           HG1      THR  23  -7.670  -5.715   4.562
  159   1HG2  THR  23          1HG2      THR  23  -9.229  -2.638   3.539
  160   2HG2  THR  23          2HG2      THR  23  -9.837  -3.201   5.097
  161   3HG2  THR  23          3HG2      THR  23  -8.715  -1.842   5.027
  162    HA   PRO  24           HA       PRO  24  -2.924  -4.848   5.293
  163   1HB   PRO  24          1HB       PRO  24  -3.441  -5.878   7.785
  164   2HB   PRO  24          2HB       PRO  24  -2.863  -4.234   7.494
  165   1HG   PRO  24          1HG       PRO  24  -5.647  -5.202   8.009
  166   2HG   PRO  24          2HG       PRO  24  -4.827  -3.757   8.634
  167   1HD   PRO  24          1HD       PRO  24  -6.592  -3.619   6.611
  168   2HD   PRO  24          2HD       PRO  24  -5.165  -2.566   6.678
  169    H    SER  25           H        SER  25  -6.056  -6.348   5.919
  170    HA   SER  25           HA       SER  25  -4.977  -9.023   5.622
  171   1HB   SER  25          1HB       SER  25  -7.304  -9.758   5.989
  172   2HB   SER  25          2HB       SER  25  -6.771  -8.643   7.247
  173    HG   SER  25           HG       SER  25  -8.045  -7.577   5.003
  174    H    GLN  26           H        GLN  26  -6.940  -6.738   3.799
  175    HA   GLN  26           HA       GLN  26  -7.591  -8.521   1.683
  176   1HB   GLN  26          1HB       GLN  26  -7.525  -5.497   1.733
  177   2HB   GLN  26          2HB       GLN  26  -8.259  -6.474   0.467
  178   1HG   GLN  26          1HG       GLN  26  -9.859  -7.372   2.057
  179   2HG   GLN  26          2HG       GLN  26  -9.103  -6.449   3.357
  180   2HE2  GLN  26          2HE2      GLN  26  -8.640  -4.140   1.621
  181   1HE2  GLN  26          1HE2      GLN  26 -10.176  -3.372   1.436
  182    H    CYS  27           H        CYS  27  -5.040  -6.116   2.160
  183    HA   CYS  27           HA       CYS  27  -3.889  -6.504  -0.434
  184   1HB   CYS  27          1HB       CYS  27  -3.603  -4.390   0.773
  185   2HB   CYS  27          2HB       CYS  27  -2.737  -5.227   2.056
  186    H    ALA  28           H        ALA  28  -3.070  -7.571   2.852
  187    HA   ALA  28           HA       ALA  28  -0.739  -8.984   2.229
  188   1HB   ALA  28          1HB       ALA  28  -1.416  -8.437   4.518
  189   2HB   ALA  28          2HB       ALA  28  -1.082 -10.159   4.336
  190   3HB   ALA  28          3HB       ALA  28  -2.748  -9.586   4.397
  191    H    ASN  29           H        ASN  29  -4.118  -9.866   1.956
  192    HA   ASN  29           HA       ASN  29  -3.948 -12.614   1.675
  193   1HB   ASN  29          1HB       ASN  29  -6.080 -11.409   1.770
  194   2HB   ASN  29          2HB       ASN  29  -5.764 -10.703   0.188
  195   2HD2  ASN  29          2HD2      ASN  29  -7.972 -12.378   1.083
  196   1HD2  ASN  29          1HD2      ASN  29  -7.980 -13.757   0.042
  197    H    LYS  30           H        LYS  30  -2.771 -10.151  -0.397
  198    HA   LYS  30           HA       LYS  30  -2.511 -11.979  -2.666
  199   1HB   LYS  30          1HB       LYS  30  -1.851  -9.037  -2.437
  200   2HB   LYS  30          2HB       LYS  30  -1.746  -9.993  -3.908
  201   1HG   LYS  30          1HG       LYS  30  -4.154 -10.385  -3.833
  202   2HG   LYS  30          2HG       LYS  30  -4.262  -9.433  -2.350
  203   1HD   LYS  30          1HD       LYS  30  -3.430  -7.469  -3.556
  204   2HD   LYS  30          2HD       LYS  30  -3.329  -8.422  -5.037
  205   1HE   LYS  30          1HE       LYS  30  -5.359  -7.074  -5.003
  206   2HE   LYS  30          2HE       LYS  30  -5.742  -8.795  -4.966
  207   1HZ   LYS  30          1HZ       LYS  30  -6.081  -8.628  -2.577
  208   2HZ   LYS  30          2HZ       LYS  30  -5.720  -6.976  -2.617
  209   3HZ   LYS  30          3HZ       LYS  30  -7.100  -7.560  -3.403
  210    H    GLY  31           H        GLY  31  -0.644 -10.422  -0.177
  211   1HA   GLY  31          1HA       GLY  31   1.741 -11.845  -1.165
  212   2HA   GLY  31          2HA       GLY  31   1.430 -11.451   0.519
  213    H    CYS  32           H        CYS  32   0.465  -8.724  -0.546
  214    HA   CYS  32           HA       CYS  32   3.084  -7.558  -1.169
  215   1HB   CYS  32          1HB       CYS  32   0.302  -6.396  -1.416
  216   2HB   CYS  32          2HB       CYS  32   1.786  -5.537  -1.812
  217    H    CYS  33           H        CYS  33   3.123  -5.132  -0.289
  218    HA   CYS  33           HA       CYS  33   2.939  -5.386   2.613
  219   1HB   CYS  33          1HB       CYS  33   4.274  -3.282   0.897
  220   2HB   CYS  33          2HB       CYS  33   4.341  -3.349   2.653
  221    H    PHE  34           H        PHE  34   2.043  -3.687   3.918
  222    HA   PHE  34           HA       PHE  34   0.143  -1.929   2.532
  223   1HB   PHE  34          1HB       PHE  34  -1.105  -3.887   3.332
  224   2HB   PHE  34          2HB       PHE  34  -0.494  -3.618   4.961
  225    HD1  PHE  34           HD1      PHE  34  -2.748  -2.366   2.350
  226    HD2  PHE  34           HD2      PHE  34  -1.411  -1.914   6.366
  227    HE1  PHE  34           HE1      PHE  34  -4.664  -0.896   2.819
  228    HE2  PHE  34           HE2      PHE  34  -3.325  -0.444   6.842
  229    HZ   PHE  34           HZ       PHE  34  -4.956   0.067   5.067
  230    H    ASP  35           H        ASP  35   0.267   0.115   3.190
  231    HA   ASP  35           HA       ASP  35   1.223   0.694   5.902
  232   1HB   ASP  35          1HB       ASP  35   3.172   0.894   4.435
  233   2HB   ASP  35          2HB       ASP  35   2.285   1.992   3.382
  234    H    ASP  36           H        ASP  36  -0.824   1.330   6.538
  235    HA   ASP  36           HA       ASP  36  -2.219   3.378   5.015
  236   1HB   ASP  36          1HB       ASP  36  -4.018   3.077   6.662
  237   2HB   ASP  36          2HB       ASP  36  -3.522   1.535   5.970
  238    H    THR  37           H        THR  37   0.275   4.174   6.079
  239    HA   THR  37           HA       THR  37  -0.508   5.998   8.254
  240    HB   THR  37           HB       THR  37   1.895   6.252   8.723
  241    HG1  THR  37           HG1      THR  37   3.321   5.539   7.335
  242   1HG2  THR  37          1HG2      THR  37   0.983   3.374   8.623
  243   2HG2  THR  37          2HG2      THR  37   2.294   4.001   9.620
  244   3HG2  THR  37          3HG2      THR  37   0.637   4.527   9.911
  245    H    VAL  38           H        VAL  38   0.122   5.873   4.961
  246    HA   VAL  38           HA       VAL  38   0.763   8.750   4.891
  247    HB   VAL  38           HB       VAL  38   1.415   6.665   2.804
  248   1HG1  VAL  38          1HG1      VAL  38   0.933   8.835   1.814
  249   2HG1  VAL  38          2HG1      VAL  38   2.076   9.605   2.913
  250   3HG1  VAL  38          3HG1      VAL  38   2.653   8.465   1.697
  251   1HG2  VAL  38          1HG2      VAL  38   2.820   6.444   4.780
  252   2HG2  VAL  38          2HG2      VAL  38   3.751   7.080   3.424
  253   3HG2  VAL  38          3HG2      VAL  38   3.212   8.163   4.708
  254    H    ARG  39           H        ARG  39  -1.138   9.760   4.605
  255    HA   ARG  39           HA       ARG  39  -3.281   8.655   3.067
  256   1HB   ARG  39          1HB       ARG  39  -2.874  11.457   4.129
  257   2HB   ARG  39          2HB       ARG  39  -4.372  10.841   3.446
  258   1HG   ARG  39          1HG       ARG  39  -4.458  10.841   5.869
  259   2HG   ARG  39          2HG       ARG  39  -4.520   9.192   5.241
  260   1HD   ARG  39          1HD       ARG  39  -2.134   8.927   5.709
  261   2HD   ARG  39          2HD       ARG  39  -2.070  10.576   6.332
  262    HE   ARG  39           HE       ARG  39  -4.003   8.902   7.652
  263   1HH1  ARG  39          1HH1      ARG  39  -0.679   9.939   7.573
  264   2HH1  ARG  39          2HH1      ARG  39  -0.387   9.561   9.238
  265   1HH2  ARG  39          1HH2      ARG  39  -3.629   8.402   9.846
  266   2HH2  ARG  39          2HH2      ARG  39  -2.063   8.686  10.530
  267    H    GLY  40           H        GLY  40  -4.197   9.574   1.139
  268   1HA   GLY  40          1HA       GLY  40  -2.432  11.288  -0.446
  269   2HA   GLY  40          2HA       GLY  40  -4.102  10.892  -0.823
  270    H    VAL  41           H        VAL  41  -1.252   8.869  -0.141
  271    HA   VAL  41           HA       VAL  41  -1.324   7.837  -2.868
  272    HB   VAL  41           HB       VAL  41   0.762   6.695  -2.309
  273   1HG1  VAL  41          1HG1      VAL  41   0.878   8.991  -3.106
  274   2HG1  VAL  41          2HG1      VAL  41   0.742   9.586  -1.451
  275   3HG1  VAL  41          3HG1      VAL  41   2.167   8.671  -1.944
  276   1HG2  VAL  41          1HG2      VAL  41   0.388   7.879   0.440
  277   2HG2  VAL  41          2HG2      VAL  41   0.302   6.168   0.021
  278   3HG2  VAL  41          3HG2      VAL  41   1.830   7.037  -0.126
  279    HA   PRO  42           HA       PRO  42  -3.124   3.914  -1.986
  280   1HB   PRO  42          1HB       PRO  42  -1.398   2.096  -3.048
  281   2HB   PRO  42          2HB       PRO  42  -2.438   3.131  -4.033
  282   1HG   PRO  42          1HG       PRO  42   0.456   3.459  -3.345
  283   2HG   PRO  42          2HG       PRO  42  -0.361   3.710  -4.899
  284   1HD   PRO  42          1HD       PRO  42   0.305   5.759  -3.264
  285   2HD   PRO  42          2HD       PRO  42  -1.140   5.796  -4.297
  286    H    TRP  43           H        TRP  43  -3.206   2.326  -0.442
  287    HA   TRP  43           HA       TRP  43  -1.091   2.383   1.554
  288   1HB   TRP  43          1HB       TRP  43  -3.815   1.067   1.588
  289   2HB   TRP  43          2HB       TRP  43  -2.692   1.094   2.943
  290    HD1  TRP  43           HD1      TRP  43  -1.947   4.306   2.182
  291    HE1  TRP  43           HE1      TRP  43  -3.584   6.072   3.091
  292    HE3  TRP  43           HE3      TRP  43  -5.989   1.298   3.057
  293    HZ2  TRP  43           HZ2      TRP  43  -6.235   6.177   4.053
  294    HZ3  TRP  43           HZ3      TRP  43  -8.035   2.310   3.974
  295    HH2  TRP  43           HH2      TRP  43  -8.154   4.700   4.462
  296    H    CYS  44           H        CYS  44  -2.481   0.213  -0.802
  297    HA   CYS  44           HA       CYS  44  -0.799  -1.989   0.141
  298   1HB   CYS  44          1HB       CYS  44  -3.162  -2.478  -0.380
  299   2HB   CYS  44          2HB       CYS  44  -2.899  -1.946  -2.037
  300    H    PHE  45           H        PHE  45   1.056  -2.512  -0.827
  301    HA   PHE  45           HA       PHE  45   1.527  -1.753  -3.602
  302   1HB   PHE  45          1HB       PHE  45   3.697  -0.712  -3.064
  303   2HB   PHE  45          2HB       PHE  45   2.352   0.170  -2.349
  304    HD1  PHE  45           HD1      PHE  45   5.339  -1.785  -1.713
  305    HD2  PHE  45           HD2      PHE  45   1.942   0.057   0.069
  306    HE1  PHE  45           HE1      PHE  45   6.411  -1.954   0.495
  307    HE2  PHE  45           HE2      PHE  45   3.008  -0.107   2.281
  308    HZ   PHE  45           HZ       PHE  45   5.246  -1.114   2.496
  309    H    TYR  46           H        TYR  46   3.404  -2.805  -4.535
  310    HA   TYR  46           HA       TYR  46   3.615  -5.513  -3.695
  311   1HB   TYR  46          1HB       TYR  46   5.253  -3.998  -5.739
  312   2HB   TYR  46          2HB       TYR  46   5.201  -5.749  -5.560
  313    HD1  TYR  46           HD1      TYR  46   2.927  -6.898  -5.886
  314    HD2  TYR  46           HD2      TYR  46   3.724  -2.909  -7.128
  315    HE1  TYR  46           HE1      TYR  46   1.015  -7.004  -7.428
  316    HE2  TYR  46           HE2      TYR  46   1.815  -3.001  -8.673
  317    HH   TYR  46           HH       TYR  46   0.489  -4.707  -9.862
  318    HA   PRO  47           HA       PRO  47   6.953  -5.077  -0.824
  319   1HB   PRO  47          1HB       PRO  47   7.628  -7.690  -0.609
  320   2HB   PRO  47          2HB       PRO  47   6.158  -7.024   0.113
  321   1HG   PRO  47          1HG       PRO  47   6.492  -8.541  -2.446
  322   2HG   PRO  47          2HG       PRO  47   5.237  -8.705  -1.202
  323   1HD   PRO  47          1HD       PRO  47   4.849  -7.338  -3.516
  324   2HD   PRO  47          2HD       PRO  47   4.038  -6.909  -1.998
  325    H    ASN  48           H        ASN  48   9.274  -5.822  -0.595
  326    HA   ASN  48           HA       ASN  48  10.543  -6.006  -3.249
  327   1HB   ASN  48          1HB       ASN  48  11.540  -4.510  -0.814
  328   2HB   ASN  48          2HB       ASN  48  12.405  -4.663  -2.340
  329   2HD2  ASN  48          2HD2      ASN  48   9.731  -3.191  -0.690
  330   1HD2  ASN  48          1HD2      ASN  48   9.370  -2.011  -1.900
  331    H    THR  49           H        THR  49  10.709  -8.270  -3.114
  332    HA   THR  49           HA       THR  49  12.138  -9.466  -0.897
  333    HB   THR  49           HB       THR  49  11.136 -10.707  -3.467
  334    HG1  THR  49           HG1      THR  49   9.994 -11.327  -1.009
  335   1HG2  THR  49          1HG2      THR  49  12.192 -11.994  -0.947
  336   2HG2  THR  49          2HG2      THR  49  11.466 -12.851  -2.306
  337   3HG2  THR  49          3HG2      THR  49  12.987 -11.984  -2.521
  338    H    ILE  50           H        ILE  50  14.260  -8.959  -0.865
  339    HA   ILE  50           HA       ILE  50  15.792  -9.186  -3.363
  340    HB   ILE  50           HB       ILE  50  16.584  -7.904  -0.746
  341   1HG1  ILE  50          1HG1      ILE  50  15.799  -6.684  -3.403
  342   2HG1  ILE  50          2HG1      ILE  50  14.842  -6.645  -1.925
  343   1HG2  ILE  50          1HG2      ILE  50  18.504  -8.810  -1.927
  344   2HG2  ILE  50          2HG2      ILE  50  18.010  -7.979  -3.402
  345   3HG2  ILE  50          3HG2      ILE  50  18.514  -7.048  -1.992
  346   1HD1  ILE  50          1HD1      ILE  50  16.573  -5.310  -0.842
  347   2HD1  ILE  50          2HD1      ILE  50  17.527  -5.349  -2.324
  348   3HD1  ILE  50          3HD1      ILE  50  15.964  -4.531  -2.302
  349    H    ASP  51           H        ASP  51  17.453 -10.609  -3.579
  350    HA   ASP  51           HA       ASP  51  18.622 -11.998  -1.378
  351   1HB   ASP  51          1HB       ASP  51  17.843 -14.257  -1.978
  352   2HB   ASP  51          2HB       ASP  51  16.509 -13.223  -1.473
  353    H    VAL  52           H        VAL  52  20.290 -13.509  -2.057
  354    HA   VAL  52           HA       VAL  52  20.984 -13.635  -4.856
  355    HB   VAL  52           HB       VAL  52  23.185 -12.600  -4.627
  356   1HG1  VAL  52          1HG1      VAL  52  21.338 -11.234  -5.432
  357   2HG1  VAL  52          2HG1      VAL  52  20.939 -10.775  -3.777
  358   3HG1  VAL  52          3HG1      VAL  52  22.468 -10.261  -4.491
  359   1HG2  VAL  52          1HG2      VAL  52  22.269 -11.840  -1.855
  360   2HG2  VAL  52          2HG2      VAL  52  23.547 -12.989  -2.251
  361   3HG2  VAL  52          3HG2      VAL  52  23.746 -11.280  -2.637
  362    HA   PRO  53           HA       PRO  53  22.811 -16.777  -1.704
  363   1HB   PRO  53          1HB       PRO  53  20.816 -18.595  -1.512
  364   2HB   PRO  53          2HB       PRO  53  20.956 -17.217  -0.415
  365   1HG   PRO  53          1HG       PRO  53  19.209 -17.553  -2.822
  366   2HG   PRO  53          2HG       PRO  53  18.809 -16.866  -1.237
  367   1HD   PRO  53          1HD       PRO  53  19.374 -15.333  -3.405
  368   2HD   PRO  53          2HD       PRO  53  19.742 -14.825  -1.745
  369    HA   PRO  54           HA       PRO  54  23.778 -18.935  -5.510
  370   1HB   PRO  54          1HB       PRO  54  25.848 -20.375  -4.510
  371   2HB   PRO  54          2HB       PRO  54  25.987 -18.664  -4.936
  372   1HG   PRO  54          1HG       PRO  54  25.575 -19.922  -2.250
  373   2HG   PRO  54          2HG       PRO  54  26.646 -18.585  -2.707
  374   1HD   PRO  54          1HD       PRO  54  24.248 -18.192  -1.508
  375   2HD   PRO  54          2HD       PRO  54  24.938 -17.038  -2.668
  376    H    GLU  55           H        GLU  55  23.006 -20.788  -6.333
  377    HA   GLU  55           HA       GLU  55  21.877 -22.749  -4.493
  378   1HB   GLU  55          1HB       GLU  55  21.601 -22.480  -7.492
  379   2HB   GLU  55          2HB       GLU  55  20.748 -23.648  -6.494
  380   1HG   GLU  55          1HG       GLU  55  19.633 -21.829  -5.309
  381   2HG   GLU  55          2HG       GLU  55  20.491 -20.655  -6.308
  382    H    GLU  56           H        GLU  56  21.902 -24.924  -6.367
  383    HA   GLU  56           HA       GLU  56  24.589 -25.560  -7.083
  384   1HB   GLU  56          1HB       GLU  56  24.925 -27.396  -5.482
  385   2HB   GLU  56          2HB       GLU  56  24.821 -25.838  -4.675
  386   1HG   GLU  56          1HG       GLU  56  22.504 -26.302  -4.068
  387   2HG   GLU  56          2HG       GLU  56  22.605 -27.864  -4.878
  388    H    GLU  57           H        GLU  57  21.255 -26.284  -6.788
  389    HA   GLU  57           HA       GLU  57  21.432 -28.137  -9.010
  390   1HB   GLU  57          1HB       GLU  57  20.110 -29.884  -7.892
  391   2HB   GLU  57          2HB       GLU  57  21.664 -29.640  -7.107
  392   1HG   GLU  57          1HG       GLU  57  20.581 -28.307  -5.371
  393   2HG   GLU  57          2HG       GLU  57  19.023 -28.551  -6.158
  394    H    CYS  58           H        CYS  58  20.255 -26.702 -10.232
  395    HA   CYS  58           HA       CYS  58  17.413 -26.525  -9.547
  396   1HB   CYS  58          1HB       CYS  58  18.393 -24.401  -8.829
  397   2HB   CYS  58          2HB       CYS  58  19.107 -24.175 -10.423
  398    H    GLU  59           H        GLU  59  19.902 -26.962 -11.814
  399    HA   GLU  59           HA       GLU  59  17.930 -27.414 -13.917
  400   1HB   GLU  59          1HB       GLU  59  19.273 -26.203 -15.584
  401   2HB   GLU  59          2HB       GLU  59  18.682 -25.132 -14.321
  402   1HG   GLU  59          1HG       GLU  59  20.977 -24.613 -14.906
  403   2HG   GLU  59          2HG       GLU  59  20.864 -25.182 -13.242
  404    H    PHE  60           H        PHE  60  19.979 -28.854 -12.118
  405    HA   PHE  60           HA       PHE  60  20.708 -30.823 -14.060
  406   1HB   PHE  60          1HB       PHE  60  22.523 -29.230 -14.456
  407   2HB   PHE  60          2HB       PHE  60  22.920 -29.234 -12.741
  408    HD1  PHE  60           HD1      PHE  60  24.048 -31.123 -11.729
  409    HD2  PHE  60           HD2      PHE  60  23.110 -31.085 -15.880
  410    HE1  PHE  60           HE1      PHE  60  25.590 -33.005 -12.090
  411    HE2  PHE  60           HE2      PHE  60  24.651 -32.969 -16.248
  412    HZ   PHE  60           HZ       PHE  60  25.894 -33.930 -14.352
  413    H1   GLU   1           H1       GLU   1  -1.252 -27.582 -14.111
  414    H2   GLU   1           H2       GLU   1  -1.235 -27.333 -15.786
  415    H3   GLU   1           H3       GLU   1  -1.317 -28.903 -15.165
  416    HA   GLU   1           HA       GLU   1   0.876 -28.675 -14.202
  417   1HB   GLU   1          1HB       GLU   1   0.756 -27.989 -17.146
  418   2HB   GLU   1          2HB       GLU   1   2.153 -28.658 -16.315
  419   1HG   GLU   1          1HG       GLU   1  -0.517 -30.006 -16.648
  420   2HG   GLU   1          2HG       GLU   1   0.952 -30.369 -17.552
  421    H    ALA   2           H        ALA   2   3.009 -27.460 -14.627
  422    HA   ALA   2           HA       ALA   2   2.503 -24.640 -14.032
  423   1HB   ALA   2          1HB       ALA   2   5.031 -26.254 -13.711
  424   2HB   ALA   2          2HB       ALA   2   4.778 -24.597 -13.163
  425   3HB   ALA   2          3HB       ALA   2   3.857 -25.916 -12.439
  426    H    GLN   3           H        GLN   3   2.223 -25.480 -16.732
  427    HA   GLN   3           HA       GLN   3   4.628 -24.582 -18.102
  428   1HB   GLN   3          1HB       GLN   3   1.970 -25.565 -19.152
  429   2HB   GLN   3          2HB       GLN   3   3.323 -25.093 -20.169
  430   1HG   GLN   3          1HG       GLN   3   3.251 -27.484 -19.969
  431   2HG   GLN   3          2HG       GLN   3   4.684 -26.865 -19.151
  432   2HE2  GLN   3          2HE2      GLN   3   3.258 -29.387 -18.799
  433   1HE2  GLN   3          1HE2      GLN   3   2.806 -29.452 -17.132
  434    H    THR   4           H        THR   4   4.070 -23.119 -20.116
  435    HA   THR   4           HA       THR   4   2.198 -20.996 -19.379
  436    HB   THR   4           HB       THR   4   3.867 -19.240 -19.824
  437    HG1  THR   4           HG1      THR   4   6.051 -20.876 -19.512
  438   1HG2  THR   4          1HG2      THR   4   3.468 -19.937 -17.515
  439   2HG2  THR   4          2HG2      THR   4   4.707 -21.183 -17.669
  440   3HG2  THR   4          3HG2      THR   4   5.155 -19.480 -17.750
  441    H    GLU   5           H        GLU   5   1.184 -20.107 -21.090
  442    HA   GLU   5           HA       GLU   5   1.911 -21.123 -23.736
  443   1HB   GLU   5          1HB       GLU   5  -0.610 -19.747 -22.790
  444   2HB   GLU   5          2HB       GLU   5  -0.347 -20.385 -24.407
  445   1HG   GLU   5          1HG       GLU   5  -0.135 -22.636 -23.489
  446   2HG   GLU   5          2HG       GLU   5  -0.397 -21.998 -21.866
  447    H    THR   6           H        THR   6   2.578 -19.850 -25.370
  448    HA   THR   6           HA       THR   6   2.266 -16.965 -25.218
  449    HB   THR   6           HB       THR   6   5.002 -18.243 -25.379
  450    HG1  THR   6           HG1      THR   6   5.303 -17.415 -23.368
  451   1HG2  THR   6          1HG2      THR   6   4.824 -16.302 -26.856
  452   2HG2  THR   6          2HG2      THR   6   4.193 -15.335 -25.522
  453   3HG2  THR   6          3HG2      THR   6   5.848 -15.941 -25.466
  454    H    CYS   7           H        CYS   7   3.279 -15.926 -27.234
  455    HA   CYS   7           HA       CYS   7   2.600 -17.626 -29.530
  456   1HB   CYS   7          1HB       CYS   7   2.744 -14.613 -29.302
  457   2HB   CYS   7          2HB       CYS   7   2.324 -15.495 -30.766
  458    H    THR   8           H        THR   8   5.212 -17.541 -28.081
  459    HA   THR   8           HA       THR   8   6.982 -16.485 -30.161
  460    HB   THR   8           HB       THR   8   7.580 -15.890 -27.876
  461    HG1  THR   8           HG1      THR   8   9.668 -17.511 -28.094
  462   1HG2  THR   8          1HG2      THR   8   7.808 -18.865 -27.406
  463   2HG2  THR   8          2HG2      THR   8   8.289 -17.606 -26.269
  464   3HG2  THR   8          3HG2      THR   8   6.591 -17.794 -26.709
  465    H    VAL   9           H        VAL   9   5.724 -18.481 -31.277
  466    HA   VAL   9           HA       VAL   9   7.249 -20.946 -30.856
  467    HB   VAL   9           HB       VAL   9   4.801 -20.470 -32.562
  468   1HG1  VAL   9          1HG1      VAL   9   6.169 -22.296 -33.409
  469   2HG1  VAL   9          2HG1      VAL   9   6.201 -23.033 -31.807
  470   3HG1  VAL   9          3HG1      VAL   9   4.681 -22.915 -32.692
  471   1HG2  VAL   9          1HG2      VAL   9   4.316 -20.230 -30.187
  472   2HG2  VAL   9          2HG2      VAL   9   3.603 -21.713 -30.821
  473   3HG2  VAL   9          3HG2      VAL   9   5.081 -21.785 -29.861
  474    H    ALA  10           H        ALA  10   7.855 -22.180 -32.851
  475    HA   ALA  10           HA       ALA  10   9.181 -20.366 -34.721
  476   1HB   ALA  10          1HB       ALA  10  10.530 -22.294 -35.354
  477   2HB   ALA  10          2HB       ALA  10   9.552 -23.331 -34.315
  478   3HB   ALA  10          3HB       ALA  10  10.549 -22.062 -33.605
  479    HA   PRO  11           HA       PRO  11   6.199 -20.767 -37.950
  480   1HB   PRO  11          1HB       PRO  11   8.698 -20.979 -39.586
  481   2HB   PRO  11          2HB       PRO  11   7.260 -19.987 -39.857
  482   1HG   PRO  11          1HG       PRO  11   9.486 -18.918 -38.851
  483   2HG   PRO  11          2HG       PRO  11   7.886 -18.410 -38.280
  484   1HD   PRO  11          1HD       PRO  11   9.930 -20.084 -36.930
  485   2HD   PRO  11          2HD       PRO  11   8.682 -19.036 -36.228
  486    H    ARG  12           H        ARG  12   8.930 -22.962 -37.646
  487    HA   ARG  12           HA       ARG  12   7.689 -24.960 -39.346
  488   1HB   ARG  12          1HB       ARG  12  10.217 -25.075 -37.689
  489   2HB   ARG  12          2HB       ARG  12   9.685 -26.317 -38.815
  490   1HG   ARG  12          1HG       ARG  12   9.869 -24.721 -40.659
  491   2HG   ARG  12          2HG       ARG  12  10.415 -23.482 -39.527
  492   1HD   ARG  12          1HD       ARG  12  11.807 -26.095 -40.107
  493   2HD   ARG  12          2HD       ARG  12  12.296 -24.509 -40.702
  494    HE   ARG  12           HE       ARG  12  12.162 -24.402 -37.909
  495   1HH1  ARG  12          1HH1      ARG  12  14.038 -25.914 -40.422
  496   2HH1  ARG  12          2HH1      ARG  12  15.484 -26.000 -39.472
  497   1HH2  ARG  12          1HH2      ARG  12  14.059 -24.510 -36.647
  498   2HH2  ARG  12          2HH2      ARG  12  15.495 -25.202 -37.323
  499    H    GLU  13           H        GLU  13   8.061 -24.247 -35.957
  500    HA   GLU  13           HA       GLU  13   6.975 -26.846 -35.188
  501   1HB   GLU  13          1HB       GLU  13   7.955 -24.546 -33.487
  502   2HB   GLU  13          2HB       GLU  13   7.432 -26.110 -32.878
  503   1HG   GLU  13          1HG       GLU  13   9.259 -27.193 -34.082
  504   2HG   GLU  13          2HG       GLU  13   9.780 -25.626 -34.698
  505    H    ARG  14           H        ARG  14   5.878 -23.759 -35.942
  506    HA   ARG  14           HA       ARG  14   3.788 -23.387 -34.104
  507   1HB   ARG  14          1HB       ARG  14   3.976 -22.502 -36.989
  508   2HB   ARG  14          2HB       ARG  14   2.810 -21.898 -35.822
  509   1HG   ARG  14          1HG       ARG  14   4.622 -20.993 -34.464
  510   2HG   ARG  14          2HG       ARG  14   5.801 -21.614 -35.621
  511   1HD   ARG  14          1HD       ARG  14   4.823 -20.201 -37.366
  512   2HD   ARG  14          2HD       ARG  14   3.656 -19.576 -36.203
  513    HE   ARG  14           HE       ARG  14   6.198 -19.135 -35.159
  514   1HH1  ARG  14          1HH1      ARG  14   4.277 -18.120 -37.880
  515   2HH1  ARG  14          2HH1      ARG  14   5.041 -16.570 -38.007
  516   1HH2  ARG  14          1HH2      ARG  14   7.212 -17.098 -35.317
  517   2HH2  ARG  14          2HH2      ARG  14   6.710 -15.989 -36.551
  518    H    GLN  15           H        GLN  15   1.897 -24.375 -33.841
  519    HA   GLN  15           HA       GLN  15   1.109 -26.425 -35.761
  520   1HB   GLN  15          1HB       GLN  15   1.192 -27.041 -33.394
  521   2HB   GLN  15          2HB       GLN  15   0.034 -25.775 -33.011
  522   1HG   GLN  15          1HG       GLN  15  -1.035 -27.950 -33.069
  523   2HG   GLN  15          2HG       GLN  15  -1.662 -26.904 -34.340
  524   2HE2  GLN  15          2HE2      GLN  15   1.461 -28.424 -34.535
  525   1HE2  GLN  15          1HE2      GLN  15   1.062 -29.544 -35.790
  526    H    ASN  16           H        ASN  16   0.083 -25.484 -37.447
  527    HA   ASN  16           HA       ASN  16  -1.354 -23.267 -37.736
  528   1HB   ASN  16          1HB       ASN  16  -1.058 -24.878 -39.549
  529   2HB   ASN  16          2HB       ASN  16  -2.207 -25.973 -38.786
  530   2HD2  ASN  16          2HD2      ASN  16  -1.802 -23.010 -40.548
  531   1HD2  ASN  16          1HD2      ASN  16  -3.464 -22.794 -40.965
  532    H    CYS  17           H        CYS  17  -3.497 -22.552 -37.503
  533    HA   CYS  17           HA       CYS  17  -5.248 -24.142 -35.775
  534   1HB   CYS  17          1HB       CYS  17  -4.098 -22.647 -34.251
  535   2HB   CYS  17          2HB       CYS  17  -4.460 -21.265 -35.279
  536    H    GLY  18           H        GLY  18  -4.886 -22.700 -38.615
  537   1HA   GLY  18          1HA       GLY  18  -6.970 -20.967 -39.076
  538   2HA   GLY  18          2HA       GLY  18  -7.694 -22.567 -39.130
  539    H    PHE  19           H        PHE  19  -6.993 -20.347 -41.157
  540    HA   PHE  19           HA       PHE  19  -5.895 -22.194 -43.162
  541   1HB   PHE  19          1HB       PHE  19  -6.970 -20.694 -44.831
  542   2HB   PHE  19          2HB       PHE  19  -8.117 -21.425 -43.716
  543    HD1  PHE  19           HD1      PHE  19  -8.987 -20.043 -41.800
  544    HD2  PHE  19           HD2      PHE  19  -6.801 -18.369 -45.045
  545    HE1  PHE  19           HE1      PHE  19  -9.865 -17.816 -41.236
  546    HE2  PHE  19           HE2      PHE  19  -7.673 -16.137 -44.485
  547    HZ   PHE  19           HZ       PHE  19  -9.207 -15.859 -42.579
  548    HA   PRO  20           HA       PRO  20  -2.332 -19.780 -43.949
  549   1HB   PRO  20          1HB       PRO  20  -2.238 -19.519 -46.650
  550   2HB   PRO  20          2HB       PRO  20  -1.932 -21.050 -45.820
  551   1HG   PRO  20          1HG       PRO  20  -4.428 -20.090 -47.165
  552   2HG   PRO  20          2HG       PRO  20  -3.668 -21.691 -47.230
  553   1HD   PRO  20          1HD       PRO  20  -5.799 -21.154 -45.648
  554   2HD   PRO  20          2HD       PRO  20  -4.547 -22.329 -45.196
  555    H    GLY  21           H        GLY  21  -5.361 -18.499 -44.893
  556   1HA   GLY  21          1HA       GLY  21  -5.760 -16.360 -45.949
  557   2HA   GLY  21          2HA       GLY  21  -4.160 -15.858 -45.425
  558    H    VAL  22           H        VAL  22  -5.250 -17.461 -42.849
  559    HA   VAL  22           HA       VAL  22  -7.273 -16.060 -41.651
  560    HB   VAL  22           HB       VAL  22  -6.299 -16.644 -39.482
  561   1HG1  VAL  22          1HG1      VAL  22  -6.007 -18.817 -41.553
  562   2HG1  VAL  22          2HG1      VAL  22  -6.150 -19.074 -39.814
  563   3HG1  VAL  22          3HG1      VAL  22  -7.491 -18.363 -40.715
  564   1HG2  VAL  22          1HG2      VAL  22  -3.869 -17.440 -41.083
  565   2HG2  VAL  22          2HG2      VAL  22  -3.974 -16.109 -39.931
  566   3HG2  VAL  22          3HG2      VAL  22  -4.118 -17.775 -39.370
  567    H    THR  23           H        THR  23  -7.255 -14.392 -39.994
  568    HA   THR  23           HA       THR  23  -5.051 -12.463 -40.255
  569    HB   THR  23           HB       THR  23  -6.659 -10.602 -40.326
  570    HG1  THR  23           HG1      THR  23  -8.451 -12.685 -39.977
  571   1HG2  THR  23          1HG2      THR  23  -7.083 -12.641 -42.514
  572   2HG2  THR  23          2HG2      THR  23  -7.432 -10.917 -42.635
  573   3HG2  THR  23          3HG2      THR  23  -5.769 -11.466 -42.430
  574    HA   PRO  24           HA       PRO  24  -5.143 -11.471 -35.967
  575   1HB   PRO  24          1HB       PRO  24  -6.638  -8.936 -36.447
  576   2HB   PRO  24          2HB       PRO  24  -5.129  -9.203 -35.566
  577   1HG   PRO  24          1HG       PRO  24  -5.105  -8.126 -38.000
  578   2HG   PRO  24          2HG       PRO  24  -3.858  -9.286 -37.505
  579   1HD   PRO  24          1HD       PRO  24  -6.206  -9.677 -39.303
  580   2HD   PRO  24          2HD       PRO  24  -4.583 -10.393 -39.389
  581    H    SER  25           H        SER  25  -8.215 -10.185 -37.264
  582    HA   SER  25           HA       SER  25  -9.682 -10.905 -34.925
  583   1HB   SER  25          1HB       SER  25 -10.662 -10.095 -37.674
  584   2HB   SER  25          2HB       SER  25 -11.664 -10.207 -36.227
  585    HG   SER  25           HG       SER  25 -10.009  -8.662 -35.335
  586    H    GLN  26           H        GLN  26  -9.375 -12.275 -38.176
  587    HA   GLN  26           HA       GLN  26 -11.309 -14.271 -37.976
  588   1HB   GLN  26          1HB       GLN  26  -8.691 -14.339 -39.486
  589   2HB   GLN  26          2HB       GLN  26 -10.045 -15.427 -39.755
  590   1HG   GLN  26          1HG       GLN  26 -11.436 -13.541 -40.429
  591   2HG   GLN  26          2HG       GLN  26 -10.086 -12.442 -40.145
  592   2HE2  GLN  26          2HE2      GLN  26  -8.141 -14.375 -41.176
  593   1HE2  GLN  26          1HE2      GLN  26  -8.312 -14.347 -42.894
  594    H    CYS  27           H        CYS  27  -7.942 -14.235 -36.929
  595    HA   CYS  27           HA       CYS  27  -7.870 -16.994 -36.202
  596   1HB   CYS  27          1HB       CYS  27  -5.832 -15.719 -36.746
  597   2HB   CYS  27          2HB       CYS  27  -6.082 -14.719 -35.320
  598    H    ALA  28           H        ALA  28  -7.799 -14.048 -34.186
  599    HA   ALA  28           HA       ALA  28  -8.094 -15.105 -31.705
  600   1HB   ALA  28          1HB       ALA  28  -7.881 -12.706 -32.146
  601   2HB   ALA  28          2HB       ALA  28  -9.543 -12.667 -32.734
  602   3HB   ALA  28          3HB       ALA  28  -9.215 -13.043 -31.043
  603    H    ASN  29           H        ASN  29 -10.578 -14.804 -34.168
  604    HA   ASN  29           HA       ASN  29 -12.877 -15.284 -32.734
  605   1HB   ASN  29          1HB       ASN  29 -12.875 -14.815 -35.139
  606   2HB   ASN  29          2HB       ASN  29 -12.146 -16.386 -35.458
  607   2HD2  ASN  29          2HD2      ASN  29 -13.850 -17.033 -36.753
  608   1HD2  ASN  29          1HD2      ASN  29 -15.397 -17.450 -36.108
  609    H    LYS  30           H        LYS  30 -10.379 -17.548 -33.708
  610    HA   LYS  30           HA       LYS  30 -11.843 -19.786 -32.534
  611   1HB   LYS  30          1HB       LYS  30 -10.734 -20.174 -34.675
  612   2HB   LYS  30          2HB       LYS  30  -9.191 -19.689 -33.984
  613   1HG   LYS  30          1HG       LYS  30  -9.355 -22.106 -34.162
  614   2HG   LYS  30          2HG       LYS  30  -9.253 -21.602 -32.474
  615   1HD   LYS  30          1HD       LYS  30 -11.683 -21.837 -32.263
  616   2HD   LYS  30          2HD       LYS  30 -11.780 -22.346 -33.950
  617   1HE   LYS  30          1HE       LYS  30 -11.841 -24.267 -32.449
  618   2HE   LYS  30          2HE       LYS  30 -10.388 -24.289 -33.448
  619   1HZ   LYS  30          1HZ       LYS  30  -9.139 -23.391 -31.582
  620   2HZ   LYS  30          2HZ       LYS  30 -10.533 -23.374 -30.626
  621   3HZ   LYS  30          3HZ       LYS  30  -9.888 -24.846 -31.155
  622    H    GLY  31           H        GLY  31  -9.068 -17.731 -31.961
  623   1HA   GLY  31          1HA       GLY  31  -8.882 -18.860 -29.256
  624   2HA   GLY  31          2HA       GLY  31  -8.325 -17.266 -29.744
  625    H    CYS  32           H        CYS  32  -6.640 -17.551 -31.705
  626    HA   CYS  32           HA       CYS  32  -4.497 -19.151 -30.532
  627   1HB   CYS  32          1HB       CYS  32  -5.309 -19.302 -33.441
  628   2HB   CYS  32          2HB       CYS  32  -3.814 -19.964 -32.788
  629    H    CYS  33           H        CYS  33  -2.354 -18.586 -31.488
  630    HA   CYS  33           HA       CYS  33  -2.038 -15.757 -31.554
  631   1HB   CYS  33          1HB       CYS  33  -0.058 -17.968 -32.138
  632   2HB   CYS  33          2HB       CYS  33   0.359 -16.270 -31.941
  633    H    PHE  34           H        PHE  34  -1.087 -14.505 -33.262
  634    HA   PHE  34           HA       PHE  34  -1.451 -15.630 -35.952
  635   1HB   PHE  34          1HB       PHE  34  -3.431 -14.282 -35.413
  636   2HB   PHE  34          2HB       PHE  34  -2.399 -12.906 -35.038
  637    HD1  PHE  34           HD1      PHE  34  -3.780 -14.994 -37.704
  638    HD2  PHE  34           HD2      PHE  34  -1.357 -11.618 -36.787
  639    HE1  PHE  34           HE1      PHE  34  -3.883 -14.286 -40.058
  640    HE2  PHE  34           HE2      PHE  34  -1.456 -10.903 -39.139
  641    HZ   PHE  34           HZ       PHE  34  -2.720 -12.238 -40.778
  642    H    ASP  35           H        ASP  35   0.377 -15.486 -37.057
  643    HA   ASP  35           HA       ASP  35   2.098 -13.136 -36.645
  644   1HB   ASP  35          1HB       ASP  35   3.099 -15.041 -35.472
  645   2HB   ASP  35          2HB       ASP  35   3.024 -16.002 -36.946
  646    H    ASP  36           H        ASP  36   1.537 -12.096 -38.510
  647    HA   ASP  36           HA       ASP  36   1.661 -13.553 -41.038
  648   1HB   ASP  36          1HB       ASP  36   0.714 -11.504 -42.025
  649   2HB   ASP  36          2HB       ASP  36  -0.267 -12.091 -40.686
  650    H    THR  37           H        THR  37   4.118 -13.408 -39.893
  651    HA   THR  37           HA       THR  37   5.495 -11.273 -41.388
  652    HB   THR  37           HB       THR  37   7.382 -11.561 -39.833
  653    HG1  THR  37           HG1      THR  37   7.356 -13.469 -38.879
  654   1HG2  THR  37          1HG2      THR  37   4.743 -11.068 -38.448
  655   2HG2  THR  37          2HG2      THR  37   6.326 -10.574 -37.848
  656   3HG2  THR  37          3HG2      THR  37   5.688  -9.871 -39.334
  657    H    VAL  38           H        VAL  38   5.342 -14.705 -40.723
  658    HA   VAL  38           HA       VAL  38   7.508 -15.177 -42.659
  659    HB   VAL  38           HB       VAL  38   6.348 -17.075 -40.613
  660   1HG1  VAL  38          1HG1      VAL  38   7.146 -18.244 -42.593
  661   2HG1  VAL  38          2HG1      VAL  38   8.691 -17.400 -42.484
  662   3HG1  VAL  38          3HG1      VAL  38   8.217 -18.538 -41.223
  663   1HG2  VAL  38          1HG2      VAL  38   8.986 -15.611 -40.660
  664   2HG2  VAL  38          2HG2      VAL  38   7.636 -15.292 -39.571
  665   3HG2  VAL  38          3HG2      VAL  38   8.505 -16.823 -39.472
  666    H    ARG  39           H        ARG  39   6.771 -15.515 -44.648
  667    HA   ARG  39           HA       ARG  39   4.133 -16.371 -45.244
  668   1HB   ARG  39          1HB       ARG  39   6.589 -16.278 -47.004
  669   2HB   ARG  39          2HB       ARG  39   4.944 -16.516 -47.577
  670   1HG   ARG  39          1HG       ARG  39   5.976 -14.067 -46.159
  671   2HG   ARG  39          2HG       ARG  39   5.680 -14.217 -47.893
  672   1HD   ARG  39          1HD       ARG  39   3.612 -14.462 -45.710
  673   2HD   ARG  39          2HD       ARG  39   3.837 -13.072 -46.770
  674    HE   ARG  39           HE       ARG  39   3.405 -15.452 -48.264
  675   1HH1  ARG  39          1HH1      ARG  39   1.774 -13.024 -46.373
  676   2HH1  ARG  39          2HH1      ARG  39   0.257 -13.228 -47.181
  677   1HH2  ARG  39          1HH2      ARG  39   1.410 -15.728 -49.336
  678   2HH2  ARG  39          2HH2      ARG  39   0.049 -14.765 -48.866
  679    H    GLY  40           H        GLY  40   3.964 -18.274 -46.969
  680   1HA   GLY  40          1HA       GLY  40   5.625 -20.548 -46.537
  681   2HA   GLY  40          2HA       GLY  40   4.082 -20.536 -47.378
  682    H    VAL  41           H        VAL  41   5.120 -19.922 -44.021
  683    HA   VAL  41           HA       VAL  41   3.625 -22.203 -43.071
  684    HB   VAL  41           HB       VAL  41   4.419 -21.573 -40.848
  685   1HG1  VAL  41          1HG1      VAL  41   5.882 -22.904 -42.265
  686   2HG1  VAL  41          2HG1      VAL  41   6.577 -21.437 -42.951
  687   3HG1  VAL  41          3HG1      VAL  41   6.827 -21.817 -41.248
  688   1HG2  VAL  41          1HG2      VAL  41   5.611 -19.166 -42.225
  689   2HG2  VAL  41          2HG2      VAL  41   4.284 -19.152 -41.063
  690   3HG2  VAL  41          3HG2      VAL  41   5.900 -19.640 -40.550
  691    HA   PRO  42           HA       PRO  42  -0.151 -20.200 -42.015
  692   1HB   PRO  42          1HB       PRO  42  -0.808 -21.443 -39.686
  693   2HB   PRO  42          2HB       PRO  42  -0.923 -22.230 -41.266
  694   1HG   PRO  42          1HG       PRO  42   1.232 -22.437 -39.198
  695   2HG   PRO  42          2HG       PRO  42   0.489 -23.719 -40.173
  696   1HD   PRO  42          1HD       PRO  42   2.897 -22.648 -40.781
  697   2HD   PRO  42          2HD       PRO  42   1.771 -23.227 -42.027
  698    H    TRP  43           H        TRP  43  -0.828 -18.400 -40.970
  699    HA   TRP  43           HA       TRP  43   1.009 -17.127 -39.146
  700   1HB   TRP  43          1HB       TRP  43  -1.670 -16.189 -40.195
  701   2HB   TRP  43          2HB       TRP  43  -0.523 -15.204 -39.294
  702    HD1  TRP  43           HD1      TRP  43   2.145 -15.946 -40.812
  703    HE1  TRP  43           HE1      TRP  43   2.507 -15.148 -43.233
  704    HE3  TRP  43           HE3      TRP  43  -2.725 -15.137 -42.139
  705    HZ2  TRP  43           HZ2      TRP  43   0.936 -14.288 -45.415
  706    HZ3  TRP  43           HZ3      TRP  43  -3.210 -14.326 -44.411
  707    HH2  TRP  43           HH2      TRP  43  -1.416 -13.910 -46.014
  708    H    CYS  44           H        CYS  44  -2.363 -18.247 -39.025
  709    HA   CYS  44           HA       CYS  44  -2.492 -17.736 -36.169
  710   1HB   CYS  44          1HB       CYS  44  -4.450 -17.257 -37.578
  711   2HB   CYS  44          2HB       CYS  44  -4.534 -18.954 -38.040
  712    H    PHE  45           H        PHE  45  -1.840 -19.167 -34.716
  713    HA   PHE  45           HA       PHE  45  -2.337 -21.998 -35.104
  714   1HB   PHE  45          1HB       PHE  45   0.010 -22.636 -34.680
  715   2HB   PHE  45          2HB       PHE  45  -0.167 -21.734 -36.183
  716    HD1  PHE  45           HD1      PHE  45   1.235 -21.746 -32.830
  717    HD2  PHE  45           HD2      PHE  45   0.645 -19.436 -36.355
  718    HE1  PHE  45           HE1      PHE  45   2.952 -20.154 -32.070
  719    HE2  PHE  45           HE2      PHE  45   2.361 -17.841 -35.601
  720    HZ   PHE  45           HZ       PHE  45   3.517 -18.199 -33.457
  721    H    TYR  46           H        TYR  46  -1.512 -23.248 -33.121
  722    HA   TYR  46           HA       TYR  46  -2.567 -21.957 -30.791
  723   1HB   TYR  46          1HB       TYR  46  -1.225 -24.651 -31.106
  724   2HB   TYR  46          2HB       TYR  46  -2.072 -24.103 -29.663
  725    HD1  TYR  46           HD1      TYR  46  -2.487 -25.118 -33.184
  726    HD2  TYR  46           HD2      TYR  46  -4.460 -24.138 -29.544
  727    HE1  TYR  46           HE1      TYR  46  -4.594 -25.997 -34.096
  728    HE2  TYR  46           HE2      TYR  46  -6.572 -25.015 -30.446
  729    HH   TYR  46           HH       TYR  46  -7.604 -25.438 -32.638
  730    HA   PRO  47           HA       PRO  47   1.116 -20.418 -28.941
  731   1HB   PRO  47          1HB       PRO  47   0.650 -20.855 -26.304
  732   2HB   PRO  47          2HB       PRO  47  -0.196 -19.612 -27.235
  733   1HG   PRO  47          1HG       PRO  47  -1.113 -22.357 -26.469
  734   2HG   PRO  47          2HG       PRO  47  -2.012 -20.829 -26.441
  735   1HD   PRO  47          1HD       PRO  47  -2.285 -22.645 -28.431
  736   2HD   PRO  47          2HD       PRO  47  -2.448 -20.899 -28.703
  737    H    ASN  48           H        ASN  48   2.650 -21.102 -26.930
  738    HA   ASN  48           HA       ASN  48   3.330 -23.941 -27.331
  739   1HB   ASN  48          1HB       ASN  48   5.710 -23.315 -27.165
  740   2HB   ASN  48          2HB       ASN  48   4.923 -22.532 -28.532
  741   2HD2  ASN  48          2HD2      ASN  48   4.547 -20.319 -28.473
  742   1HD2  ASN  48          1HD2      ASN  48   5.349 -19.282 -27.347
  743    H    THR  49           H        THR  49   2.706 -24.876 -25.476
  744    HA   THR  49           HA       THR  49   2.736 -23.608 -22.943
  745    HB   THR  49           HB       THR  49   2.271 -25.841 -22.016
  746    HG1  THR  49           HG1      THR  49   1.956 -27.340 -24.121
  747   1HG2  THR  49          1HG2      THR  49   0.426 -24.543 -22.957
  748   2HG2  THR  49          2HG2      THR  49   0.731 -25.247 -24.545
  749   3HG2  THR  49          3HG2      THR  49   0.178 -26.270 -23.220
  750    H    ILE  50           H        ILE  50   4.926 -22.792 -22.881
  751    HA   ILE  50           HA       ILE  50   7.083 -24.715 -22.621
  752    HB   ILE  50           HB       ILE  50   7.095 -21.709 -22.320
  753   1HG1  ILE  50          1HG1      ILE  50   8.003 -23.496 -24.590
  754   2HG1  ILE  50          2HG1      ILE  50   6.581 -22.457 -24.600
  755   1HG2  ILE  50          1HG2      ILE  50   9.389 -23.663 -22.439
  756   2HG2  ILE  50          2HG2      ILE  50   9.537 -21.905 -22.454
  757   3HG2  ILE  50          3HG2      ILE  50   8.886 -22.724 -21.034
  758   1HD1  ILE  50          1HD1      ILE  50   9.438 -21.535 -24.403
  759   2HD1  ILE  50          2HD1      ILE  50   8.415 -21.462 -25.837
  760   3HD1  ILE  50          3HD1      ILE  50   8.015 -20.494 -24.419
  761    H    ASP  51           H        ASP  51   8.401 -24.917 -20.751
  762    HA   ASP  51           HA       ASP  51   6.962 -24.309 -18.257
  763   1HB   ASP  51          1HB       ASP  51   8.979 -26.490 -18.834
  764   2HB   ASP  51          2HB       ASP  51   8.217 -26.203 -17.272
  765    H    VAL  52           H        VAL  52   7.913 -23.124 -16.703
  766    HA   VAL  52           HA       VAL  52  10.681 -22.242 -17.189
  767    HB   VAL  52           HB       VAL  52   8.489 -20.799 -15.692
  768   1HG1  VAL  52          1HG1      VAL  52  10.688 -20.330 -14.763
  769   2HG1  VAL  52          2HG1      VAL  52  11.297 -19.935 -16.370
  770   3HG1  VAL  52          3HG1      VAL  52  10.062 -18.922 -15.621
  771   1HG2  VAL  52          1HG2      VAL  52   9.728 -20.239 -18.384
  772   2HG2  VAL  52          2HG2      VAL  52   8.089 -20.821 -18.091
  773   3HG2  VAL  52          3HG2      VAL  52   8.560 -19.208 -17.558
  774    HA   PRO  53           HA       PRO  53   9.949 -23.588 -12.548
  775   1HB   PRO  53          1HB       PRO  53   8.891 -26.083 -12.466
  776   2HB   PRO  53          2HB       PRO  53   7.899 -24.620 -12.413
  777   1HG   PRO  53          1HG       PRO  53   8.508 -26.413 -14.732
  778   2HG   PRO  53          2HG       PRO  53   6.963 -25.680 -14.260
  779   1HD   PRO  53          1HD       PRO  53   8.519 -24.667 -16.233
  780   2HD   PRO  53          2HD       PRO  53   7.496 -23.647 -15.202
  781    HA   PRO  54           HA       PRO  54  13.731 -25.805 -13.863
  782   1HB   PRO  54          1HB       PRO  54  14.878 -24.477 -11.517
  783   2HB   PRO  54          2HB       PRO  54  15.365 -24.370 -13.210
  784   1HG   PRO  54          1HG       PRO  54  14.190 -22.313 -11.918
  785   2HG   PRO  54          2HG       PRO  54  13.942 -22.615 -13.648
  786   1HD   PRO  54          1HD       PRO  54  12.153 -23.267 -11.333
  787   2HD   PRO  54          2HD       PRO  54  11.733 -22.621 -12.935
  788    H    GLU  55           H        GLU  55  12.776 -25.275 -10.468
  789    HA   GLU  55           HA       GLU  55  12.859 -28.139  -9.993
  790   1HB   GLU  55          1HB       GLU  55  15.160 -27.460  -9.528
  791   2HB   GLU  55          2HB       GLU  55  14.587 -26.215  -8.427
  792   1HG   GLU  55          1HG       GLU  55  13.660 -27.934  -6.962
  793   2HG   GLU  55          2HG       GLU  55  14.237 -29.182  -8.066
  794    H    GLU  56           H        GLU  56  12.450 -28.393  -7.422
  795    HA   GLU  56           HA       GLU  56   9.855 -27.268  -7.016
  796   1HB   GLU  56          1HB       GLU  56   9.870 -28.538  -4.911
  797   2HB   GLU  56          2HB       GLU  56  10.358 -29.533  -6.275
  798   1HG   GLU  56          1HG       GLU  56  12.699 -29.270  -5.633
  799   2HG   GLU  56          2HG       GLU  56  12.210 -28.268  -4.268
  800    H    GLU  57           H        GLU  57  13.035 -26.802  -5.534
  801    HA   GLU  57           HA       GLU  57  11.956 -24.442  -4.138
  802   1HB   GLU  57          1HB       GLU  57  13.787 -24.718  -2.519
  803   2HB   GLU  57          2HB       GLU  57  12.751 -26.138  -2.581
  804   1HG   GLU  57          1HG       GLU  57  14.392 -27.278  -3.984
  805   2HG   GLU  57          2HG       GLU  57  15.429 -25.854  -3.925
  806    H    CYS  58           H        CYS  58  12.417 -23.711  -6.533
  807    HA   CYS  58           HA       CYS  58  14.684 -21.985  -6.399
  808   1HB   CYS  58          1HB       CYS  58  15.843 -24.017  -7.116
  809   2HB   CYS  58          2HB       CYS  58  14.724 -24.196  -8.464
  810    H    GLU  59           H        GLU  59  11.814 -21.824  -6.750
  811    HA   GLU  59           HA       GLU  59  11.655 -20.685  -9.461
  812   1HB   GLU  59          1HB       GLU  59   9.215 -20.918  -9.256
  813   2HB   GLU  59          2HB       GLU  59  10.034 -22.463  -9.073
  814   1HG   GLU  59          1HG       GLU  59   9.794 -22.309  -6.649
  815   2HG   GLU  59          2HG       GLU  59   8.977 -20.757  -6.830
  816    H    PHE  60           H        PHE  60  10.303 -18.732  -9.683
  817    HA   PHE  60           HA       PHE  60  10.677 -16.959  -7.364
  818   1HB   PHE  60          1HB       PHE  60  10.464 -16.268 -10.302
  819   2HB   PHE  60          2HB       PHE  60  10.670 -15.105  -8.998
  820    HD1  PHE  60           HD1      PHE  60  12.793 -14.815  -7.914
  821    HD2  PHE  60           HD2      PHE  60  12.284 -17.746 -10.956
  822    HE1  PHE  60           HE1      PHE  60  15.235 -15.058  -8.084
  823    HE2  PHE  60           HE2      PHE  60  14.725 -17.995 -11.131
  824    HZ   PHE  60           HZ       PHE  60  16.204 -16.650  -9.693

  No H/Q in entry =         824
  Start of MODEL    4
    1    H1   GLU   1           H1       GLU   1  24.813  -7.466  -1.023
    2    H2   GLU   1           H2       GLU   1  25.567  -7.205   0.469
    3    H3   GLU   1           H3       GLU   1  26.485  -7.678  -0.870
    4    HA   GLU   1           HA       GLU   1  25.351  -9.798  -0.943
    5   1HB   GLU   1          1HB       GLU   1  27.427  -9.601   0.342
    6   2HB   GLU   1          2HB       GLU   1  26.515  -9.110   1.763
    7   1HG   GLU   1          1HG       GLU   1  25.419 -11.290   1.816
    8   2HG   GLU   1          2HG       GLU   1  26.331 -11.783   0.390
    9    H    ALA   2           H        ALA   2  23.958  -7.465   1.145
   10    HA   ALA   2           HA       ALA   2  21.836  -9.377   1.875
   11   1HB   ALA   2          1HB       ALA   2  22.751  -6.979   3.458
   12   2HB   ALA   2          2HB       ALA   2  21.456  -8.089   3.905
   13   3HB   ALA   2          3HB       ALA   2  23.123  -8.661   3.832
   14    H    GLN   3           H        GLN   3  20.534  -8.921   0.103
   15    HA   GLN   3           HA       GLN   3  19.165  -6.338   0.244
   16   1HB   GLN   3          1HB       GLN   3  20.207  -7.555  -2.320
   17   2HB   GLN   3          2HB       GLN   3  19.183  -6.130  -2.212
   18   1HG   GLN   3          1HG       GLN   3  20.938  -4.961  -0.980
   19   2HG   GLN   3          2HG       GLN   3  21.966  -6.389  -1.094
   20   2HE2  GLN   3          2HE2      GLN   3  22.871  -6.944  -3.075
   21   1HE2  GLN   3          1HE2      GLN   3  22.950  -5.830  -4.394
   22    H    THR   4           H        THR   4  17.004  -6.475  -0.014
   23    HA   THR   4           HA       THR   4  15.741  -8.619  -1.435
   24    HB   THR   4           HB       THR   4  14.491  -9.550   0.474
   25    HG1  THR   4           HG1      THR   4  16.045  -7.665   1.866
   26   1HG2  THR   4          1HG2      THR   4  16.506 -10.699  -0.305
   27   2HG2  THR   4          2HG2      THR   4  17.490  -9.729   0.793
   28   3HG2  THR   4          3HG2      THR   4  16.316 -10.873   1.440
   29    H    GLU   5           H        GLU   5  13.255  -8.550  -0.895
   30    HA   GLU   5           HA       GLU   5  12.451  -5.808  -1.312
   31   1HB   GLU   5          1HB       GLU   5  10.809  -8.343  -1.182
   32   2HB   GLU   5          2HB       GLU   5  10.206  -6.767  -1.673
   33   1HG   GLU   5          1HG       GLU   5  11.739  -6.769  -3.573
   34   2HG   GLU   5          2HG       GLU   5  12.345  -8.349  -3.080
   35    H    THR   6           H        THR   6  11.147  -4.570   0.001
   36    HA   THR   6           HA       THR   6  10.477  -5.656   2.648
   37    HB   THR   6           HB       THR   6  11.804  -2.982   2.162
   38    HG1  THR   6           HG1      THR   6  13.225  -4.817   2.154
   39   1HG2  THR   6          1HG2      THR   6  10.836  -4.253   4.726
   40   2HG2  THR   6          2HG2      THR   6  11.763  -2.757   4.610
   41   3HG2  THR   6          3HG2      THR   6  10.135  -2.839   3.937
   42    H    CYS   7           H        CYS   7   9.147  -3.825   3.863
   43    HA   CYS   7           HA       CYS   7   7.038  -3.000   1.984
   44   1HB   CYS   7          1HB       CYS   7   6.876  -3.591   4.945
   45   2HB   CYS   7          2HB       CYS   7   5.531  -3.032   3.957
   46    H    THR   8           H        THR   8   9.601  -1.628   3.143
   47    HA   THR   8           HA       THR   8   8.326   0.787   4.213
   48    HB   THR   8           HB       THR   8  10.195  -0.052   5.528
   49    HG1  THR   8           HG1      THR   8  10.739   2.348   4.092
   50   1HG2  THR   8          1HG2      THR   8  11.420  -1.204   3.752
   51   2HG2  THR   8          2HG2      THR   8  11.842   0.347   3.029
   52   3HG2  THR   8          3HG2      THR   8  12.472  -0.085   4.618
   53    H    VAL   9           H        VAL   9   7.547   0.892   1.821
   54    HA   VAL   9           HA       VAL   9   9.546   2.080   0.056
   55    HB   VAL   9           HB       VAL   9   6.642   1.437  -0.475
   56   1HG1  VAL   9          1HG1      VAL   9   8.844   2.277  -2.357
   57   2HG1  VAL   9          2HG1      VAL   9   7.222   1.775  -2.833
   58   3HG1  VAL   9          3HG1      VAL   9   7.448   3.246  -1.887
   59   1HG2  VAL   9          1HG2      VAL   9   9.155  -0.033  -1.266
   60   2HG2  VAL   9          2HG2      VAL   9   7.960  -0.571  -0.086
   61   3HG2  VAL   9          3HG2      VAL   9   7.520  -0.440  -1.789
   62    H    ALA  10           H        ALA  10   8.934   4.065  -1.159
   63    HA   ALA  10           HA       ALA  10   7.996   6.081   0.701
   64   1HB   ALA  10          1HB       ALA  10  10.020   6.487  -0.612
   65   2HB   ALA  10          2HB       ALA  10   9.079   6.380  -2.098
   66   3HB   ALA  10          3HB       ALA  10   8.777   7.688  -0.955
   67    HA   PRO  11           HA       PRO  11   3.764   6.387  -0.444
   68   1HB   PRO  11          1HB       PRO  11   4.458   9.292  -0.688
   69   2HB   PRO  11          2HB       PRO  11   3.080   8.532   0.117
   70   1HG   PRO  11          1HG       PRO  11   5.170   9.407   1.524
   71   2HG   PRO  11          2HG       PRO  11   4.327   7.912   1.967
   72   1HD   PRO  11          1HD       PRO  11   6.995   8.279   0.730
   73   2HD   PRO  11          2HD       PRO  11   6.384   6.945   1.728
   74    H    ARG  12           H        ARG  12   6.152   8.221  -2.319
   75    HA   ARG  12           HA       ARG  12   4.434   8.164  -4.668
   76   1HB   ARG  12          1HB       ARG  12   6.154   9.534  -5.729
   77   2HB   ARG  12          2HB       ARG  12   5.681  10.217  -4.180
   78   1HG   ARG  12          1HG       ARG  12   8.049  10.396  -4.399
   79   2HG   ARG  12          2HG       ARG  12   7.696   9.181  -3.168
   80   1HD   ARG  12          1HD       ARG  12   9.492   8.442  -4.643
   81   2HD   ARG  12          2HD       ARG  12   8.075   7.409  -4.803
   82    HE   ARG  12           HE       ARG  12   8.170   9.536  -6.730
   83   1HH1  ARG  12          1HH1      ARG  12   9.197   6.292  -5.995
   84   2HH1  ARG  12          2HH1      ARG  12   9.423   5.848  -7.654
   85   1HH2  ARG  12          1HH2      ARG  12   8.463   8.965  -8.917
   86   2HH2  ARG  12          2HH2      ARG  12   9.006   7.369  -9.316
   87    H    GLU  13           H        GLU  13   7.237   6.567  -3.364
   88    HA   GLU  13           HA       GLU  13   7.977   5.316  -5.854
   89   1HB   GLU  13          1HB       GLU  13   8.881   4.741  -3.026
   90   2HB   GLU  13          2HB       GLU  13   9.607   4.076  -4.483
   91   1HG   GLU  13          1HG       GLU  13  10.233   6.329  -5.197
   92   2HG   GLU  13          2HG       GLU  13   9.514   6.988  -3.727
   93    H    ARG  14           H        ARG  14   5.637   4.756  -3.494
   94    HA   ARG  14           HA       ARG  14   5.595   1.907  -3.530
   95   1HB   ARG  14          1HB       ARG  14   3.416   3.873  -2.800
   96   2HB   ARG  14          2HB       ARG  14   3.384   2.147  -2.462
   97   1HG   ARG  14          1HG       ARG  14   5.331   2.381  -1.017
   98   2HG   ARG  14          2HG       ARG  14   5.390   4.109  -1.369
   99   1HD   ARG  14          1HD       ARG  14   3.144   4.361  -0.396
  100   2HD   ARG  14          2HD       ARG  14   3.135   2.642  -0.006
  101    HE   ARG  14           HE       ARG  14   5.411   3.913   1.103
  102   1HH1  ARG  14          1HH1      ARG  14   1.975   3.552   1.531
  103   2HH1  ARG  14          2HH1      ARG  14   2.027   3.834   3.239
  104   1HH2  ARG  14          1HH2      ARG  14   5.492   4.288   3.351
  105   2HH2  ARG  14          2HH2      ARG  14   4.026   4.253   4.275
  106    H    GLN  15           H        GLN  15   5.140   0.738  -5.266
  107    HA   GLN  15           HA       GLN  15   3.581   1.802  -7.445
  108   1HB   GLN  15          1HB       GLN  15   5.518   0.380  -7.900
  109   2HB   GLN  15          2HB       GLN  15   4.772  -0.945  -7.017
  110   1HG   GLN  15          1HG       GLN  15   4.560  -1.259  -9.412
  111   2HG   GLN  15          2HG       GLN  15   2.979  -1.048  -8.658
  112   2HE2  GLN  15          2HE2      GLN  15   5.169   1.601  -9.185
  113   1HE2  GLN  15          1HE2      GLN  15   4.254   2.375 -10.430
  114    H    ASN  16           H        ASN  16   1.483   2.068  -6.796
  115    HA   ASN  16           HA       ASN  16  -0.201   0.908  -5.193
  116   1HB   ASN  16          1HB       ASN  16  -0.957   2.470  -6.918
  117   2HB   ASN  16          2HB       ASN  16  -0.816   1.211  -8.141
  118   2HD2  ASN  16          2HD2      ASN  16  -2.637   2.385  -5.427
  119   1HD2  ASN  16          1HD2      ASN  16  -4.028   1.388  -5.669
  120    H    CYS  17           H        CYS  17  -1.525  -0.928  -4.990
  121    HA   CYS  17           HA       CYS  17  -0.948  -3.204  -6.734
  122   1HB   CYS  17          1HB       CYS  17   0.627  -3.459  -4.893
  123   2HB   CYS  17          2HB       CYS  17  -0.671  -3.261  -3.720
  124    H    GLY  18           H        GLY  18  -3.154  -1.246  -5.494
  125   1HA   GLY  18          1HA       GLY  18  -5.119  -2.953  -4.392
  126   2HA   GLY  18          2HA       GLY  18  -5.376  -2.802  -6.124
  127    H    PHE  19           H        PHE  19  -6.821  -1.833  -3.624
  128    HA   PHE  19           HA       PHE  19  -7.187   0.930  -4.557
  129   1HB   PHE  19          1HB       PHE  19  -9.415   0.796  -3.478
  130   2HB   PHE  19          2HB       PHE  19  -9.196  -0.417  -4.734
  131    HD1  PHE  19           HD1      PHE  19  -9.808   0.186  -1.227
  132    HD2  PHE  19           HD2      PHE  19  -8.789  -2.780  -4.104
  133    HE1  PHE  19           HE1      PHE  19 -10.429  -1.576   0.375
  134    HE2  PHE  19           HE2      PHE  19  -9.408  -4.547  -2.509
  135    HZ   PHE  19           HZ       PHE  19 -10.230  -3.947  -0.266
  136    HA   PRO  20           HA       PRO  20  -5.919   2.748  -0.769
  137   1HB   PRO  20          1HB       PRO  20  -7.938   4.469  -0.130
  138   2HB   PRO  20          2HB       PRO  20  -6.780   4.767  -1.431
  139   1HG   PRO  20          1HG       PRO  20  -9.568   3.691  -1.588
  140   2HG   PRO  20          2HG       PRO  20  -8.766   4.879  -2.632
  141   1HD   PRO  20          1HD       PRO  20  -9.061   2.297  -3.356
  142   2HD   PRO  20          2HD       PRO  20  -7.645   3.257  -3.833
  143    H    GLY  21           H        GLY  21  -9.344   1.783  -0.646
  144   1HA   GLY  21          1HA       GLY  21 -10.583   0.786   1.009
  145   2HA   GLY  21          2HA       GLY  21  -9.561   1.643   2.153
  146    H    VAL  22           H        VAL  22  -8.179  -0.568  -0.147
  147    HA   VAL  22           HA       VAL  22  -8.272  -3.026   0.825
  148    HB   VAL  22           HB       VAL  22  -5.905  -3.388   0.285
  149   1HG1  VAL  22          1HG1      VAL  22  -7.328  -1.542  -1.630
  150   2HG1  VAL  22          2HG1      VAL  22  -5.971  -2.590  -2.040
  151   3HG1  VAL  22          3HG1      VAL  22  -7.507  -3.293  -1.534
  152   1HG2  VAL  22          1HG2      VAL  22  -5.786  -0.378   0.131
  153   2HG2  VAL  22          2HG2      VAL  22  -4.925  -1.416   1.267
  154   3HG2  VAL  22          3HG2      VAL  22  -4.525  -1.466  -0.449
  155    H    THR  23           H        THR  23  -7.091  -4.317   2.363
  156    HA   THR  23           HA       THR  23  -6.208  -2.802   4.733
  157    HB   THR  23           HB       THR  23  -7.153  -4.569   6.160
  158    HG1  THR  23           HG1      THR  23  -7.116  -6.134   4.281
  159   1HG2  THR  23          1HG2      THR  23  -8.502  -2.585   5.688
  160   2HG2  THR  23          2HG2      THR  23  -9.165  -3.367   4.254
  161   3HG2  THR  23          3HG2      THR  23  -9.522  -4.012   5.856
  162    HA   PRO  24           HA       PRO  24  -2.543  -5.183   5.187
  163   1HB   PRO  24          1HB       PRO  24  -3.573  -6.507   7.640
  164   2HB   PRO  24          2HB       PRO  24  -2.100  -5.560   7.407
  165   1HG   PRO  24          1HG       PRO  24  -4.189  -4.536   8.709
  166   2HG   PRO  24          2HG       PRO  24  -3.209  -3.535   7.621
  167   1HD   PRO  24          1HD       PRO  24  -5.907  -4.741   7.177
  168   2HD   PRO  24          2HD       PRO  24  -5.276  -3.164   6.660
  169    H    SER  25           H        SER  25  -5.368  -7.155   6.093
  170    HA   SER  25           HA       SER  25  -4.127  -9.608   5.296
  171   1HB   SER  25          1HB       SER  25  -6.344 -10.607   5.733
  172   2HB   SER  25          2HB       SER  25  -5.816  -9.583   7.067
  173    HG   SER  25           HG       SER  25  -7.102  -7.932   5.651
  174    H    GLN  26           H        GLN  26  -6.467  -7.390   3.862
  175    HA   GLN  26           HA       GLN  26  -7.123  -9.021   1.641
  176   1HB   GLN  26          1HB       GLN  26  -7.280  -6.016   1.939
  177   2HB   GLN  26          2HB       GLN  26  -8.048  -6.951   0.663
  178   1HG   GLN  26          1HG       GLN  26  -9.406  -8.110   2.333
  179   2HG   GLN  26          2HG       GLN  26  -8.642  -7.160   3.607
  180   2HE2  GLN  26          2HE2      GLN  26  -9.141  -4.977   3.806
  181   1HE2  GLN  26          1HE2      GLN  26 -10.528  -4.278   3.050
  182    H    CYS  27           H        CYS  27  -4.662  -6.561   2.192
  183    HA   CYS  27           HA       CYS  27  -3.746  -6.630  -0.544
  184   1HB   CYS  27          1HB       CYS  27  -3.617  -4.552   0.759
  185   2HB   CYS  27          2HB       CYS  27  -2.530  -5.332   1.903
  186    H    ALA  28           H        ALA  28  -2.396  -7.584   2.612
  187    HA   ALA  28           HA       ALA  28  -0.039  -8.739   1.656
  188   1HB   ALA  28          1HB       ALA  28  -0.425  -8.217   4.017
  189   2HB   ALA  28          2HB       ALA  28   0.076  -9.894   3.799
  190   3HB   ALA  28          3HB       ALA  28  -1.618  -9.514   4.107
  191    H    ASN  29           H        ASN  29  -3.279 -10.070   2.018
  192    HA   ASN  29           HA       ASN  29  -2.752 -12.769   1.660
  193   1HB   ASN  29          1HB       ASN  29  -4.968 -11.919   2.260
  194   2HB   ASN  29          2HB       ASN  29  -5.130 -11.182   0.668
  195   2HD2  ASN  29          2HD2      ASN  29  -6.973 -12.352   0.189
  196   1HD2  ASN  29          1HD2      ASN  29  -6.930 -14.042  -0.169
  197    H    LYS  30           H        LYS  30  -2.338 -10.203  -0.532
  198    HA   LYS  30           HA       LYS  30  -2.363 -11.996  -2.852
  199   1HB   LYS  30          1HB       LYS  30  -3.598  -9.897  -3.091
  200   2HB   LYS  30          2HB       LYS  30  -2.148  -8.984  -2.702
  201   1HG   LYS  30          1HG       LYS  30  -1.069  -9.810  -4.723
  202   2HG   LYS  30          2HG       LYS  30  -2.508 -10.756  -5.110
  203   1HD   LYS  30          1HD       LYS  30  -2.376  -7.750  -4.873
  204   2HD   LYS  30          2HD       LYS  30  -2.446  -8.666  -6.379
  205   1HE   LYS  30          1HE       LYS  30  -4.629  -9.563  -5.728
  206   2HE   LYS  30          2HE       LYS  30  -4.558  -8.644  -4.224
  207   1HZ   LYS  30          1HZ       LYS  30  -4.590  -7.483  -6.959
  208   2HZ   LYS  30          2HZ       LYS  30  -5.899  -7.521  -5.888
  209   3HZ   LYS  30          3HZ       LYS  30  -4.529  -6.603  -5.516
  210    H    GLY  31           H        GLY  31  -0.244 -10.313  -0.718
  211   1HA   GLY  31          1HA       GLY  31   2.038 -11.022  -2.457
  212   2HA   GLY  31          2HA       GLY  31   2.045 -11.320  -0.726
  213    H    CYS  32           H        CYS  32   0.667  -8.415  -2.083
  214    HA   CYS  32           HA       CYS  32   2.998  -6.808  -1.904
  215   1HB   CYS  32          1HB       CYS  32   0.076  -6.029  -1.942
  216   2HB   CYS  32          2HB       CYS  32   1.416  -4.900  -2.107
  217    H    CYS  33           H        CYS  33   2.687  -4.649  -0.518
  218    HA   CYS  33           HA       CYS  33   2.415  -5.564   2.263
  219   1HB   CYS  33          1HB       CYS  33   4.012  -3.266   1.115
  220   2HB   CYS  33          2HB       CYS  33   3.904  -3.662   2.827
  221    H    PHE  34           H        PHE  34   1.511  -4.116   3.829
  222    HA   PHE  34           HA       PHE  34  -0.389  -2.189   2.659
  223   1HB   PHE  34          1HB       PHE  34  -1.525  -4.110   3.661
  224   2HB   PHE  34          2HB       PHE  34  -0.672  -3.843   5.177
  225    HD1  PHE  34           HD1      PHE  34  -3.576  -3.102   3.276
  226    HD2  PHE  34           HD2      PHE  34  -1.055  -1.601   6.358
  227    HE1  PHE  34           HE1      PHE  34  -5.385  -1.612   4.024
  228    HE2  PHE  34           HE2      PHE  34  -2.859  -0.109   7.113
  229    HZ   PHE  34           HZ       PHE  34  -5.028  -0.113   5.946
  230    H    ASP  35           H        ASP  35  -0.377  -0.138   3.388
  231    HA   ASP  35           HA       ASP  35   0.745   0.569   5.941
  232   1HB   ASP  35          1HB       ASP  35   2.790   0.371   4.595
  233   2HB   ASP  35          2HB       ASP  35   2.126   1.493   3.412
  234    H    ASP  36           H        ASP  36  -1.082   1.653   6.484
  235    HA   ASP  36           HA       ASP  36  -2.138   3.667   4.645
  236   1HB   ASP  36          1HB       ASP  36  -4.056   3.773   6.190
  237   2HB   ASP  36          2HB       ASP  36  -3.760   2.129   5.629
  238    H    THR  37           H        THR  37   0.393   4.090   5.981
  239    HA   THR  37           HA       THR  37  -0.171   6.093   8.019
  240    HB   THR  37           HB       THR  37   2.275   6.267   8.252
  241    HG1  THR  37           HG1      THR  37   3.587   4.859   7.016
  242   1HG2  THR  37          1HG2      THR  37   1.073   4.585   9.559
  243   2HG2  THR  37          2HG2      THR  37   1.264   3.421   8.248
  244   3HG2  THR  37          3HG2      THR  37   2.681   4.009   9.118
  245    H    VAL  38           H        VAL  38   0.008   5.994   4.704
  246    HA   VAL  38           HA       VAL  38   0.573   8.877   4.585
  247    HB   VAL  38           HB       VAL  38   1.535   6.839   2.571
  248   1HG1  VAL  38          1HG1      VAL  38   1.874   9.835   2.653
  249   2HG1  VAL  38          2HG1      VAL  38   2.640   8.747   1.495
  250   3HG1  VAL  38          3HG1      VAL  38   0.885   8.927   1.510
  251   1HG2  VAL  38          1HG2      VAL  38   3.073   8.542   4.532
  252   2HG2  VAL  38          2HG2      VAL  38   2.861   6.793   4.612
  253   3HG2  VAL  38          3HG2      VAL  38   3.784   7.509   3.291
  254    H    ARG  39           H        ARG  39  -1.219   9.864   3.943
  255    HA   ARG  39           HA       ARG  39  -3.292   8.467   2.523
  256   1HB   ARG  39          1HB       ARG  39  -3.060  11.388   3.272
  257   2HB   ARG  39          2HB       ARG  39  -4.507  10.608   2.650
  258   1HG   ARG  39          1HG       ARG  39  -4.652  10.876   5.048
  259   2HG   ARG  39          2HG       ARG  39  -4.572   9.164   4.627
  260   1HD   ARG  39          1HD       ARG  39  -3.154   9.671   6.549
  261   2HD   ARG  39          2HD       ARG  39  -2.195   9.131   5.172
  262    HE   ARG  39           HE       ARG  39  -2.173  11.838   4.954
  263   1HH1  ARG  39          1HH1      ARG  39  -1.384   9.608   7.509
  264   2HH1  ARG  39          2HH1      ARG  39  -0.178  10.636   8.209
  265   1HH2  ARG  39          1HH2      ARG  39  -0.587  13.199   5.866
  266   2HH2  ARG  39          2HH2      ARG  39   0.274  12.678   7.276
  267    H    GLY  40           H        GLY  40  -4.374  10.087   0.733
  268   1HA   GLY  40          1HA       GLY  40  -2.553  11.372  -1.032
  269   2HA   GLY  40          2HA       GLY  40  -4.218  10.942  -1.397
  270    H    VAL  41           H        VAL  41  -1.703   8.681  -0.418
  271    HA   VAL  41           HA       VAL  41  -1.641   7.616  -3.160
  272    HB   VAL  41           HB       VAL  41   0.455   6.516  -2.556
  273   1HG1  VAL  41          1HG1      VAL  41   0.430   9.455  -1.875
  274   2HG1  VAL  41          2HG1      VAL  41   1.855   8.517  -2.321
  275   3HG1  VAL  41          3HG1      VAL  41   0.557   8.759  -3.491
  276   1HG2  VAL  41          1HG2      VAL  41   0.018   6.132  -0.191
  277   2HG2  VAL  41          2HG2      VAL  41   1.545   6.989  -0.409
  278   3HG2  VAL  41          3HG2      VAL  41   0.108   7.865   0.121
  279    HA   PRO  42           HA       PRO  42  -3.503   3.814  -1.957
  280   1HB   PRO  42          1HB       PRO  42  -2.070   1.951  -3.294
  281   2HB   PRO  42          2HB       PRO  42  -3.150   3.086  -4.113
  282   1HG   PRO  42          1HG       PRO  42  -0.175   3.196  -3.793
  283   2HG   PRO  42          2HG       PRO  42  -1.159   3.542  -5.227
  284   1HD   PRO  42          1HD       PRO  42  -0.153   5.490  -3.621
  285   2HD   PRO  42          2HD       PRO  42  -1.678   5.666  -4.512
  286    H    TRP  43           H        TRP  43  -3.429   2.747  -0.085
  287    HA   TRP  43           HA       TRP  43  -1.062   2.552   1.461
  288   1HB   TRP  43          1HB       TRP  43  -3.729   1.173   1.832
  289   2HB   TRP  43          2HB       TRP  43  -2.450   1.258   3.040
  290    HD1  TRP  43           HD1      TRP  43  -1.821   4.438   2.372
  291    HE1  TRP  43           HE1      TRP  43  -3.431   6.180   3.369
  292    HE3  TRP  43           HE3      TRP  43  -5.847   1.412   3.253
  293    HZ2  TRP  43           HZ2      TRP  43  -6.059   6.261   4.394
  294    HZ3  TRP  43           HZ3      TRP  43  -7.870   2.400   4.245
  295    HH2  TRP  43           HH2      TRP  43  -7.972   4.775   4.805
  296    H    CYS  44           H        CYS  44  -2.762   0.337  -0.657
  297    HA   CYS  44           HA       CYS  44  -0.981  -1.859   0.052
  298   1HB   CYS  44          1HB       CYS  44  -3.358  -2.356  -0.295
  299   2HB   CYS  44          2HB       CYS  44  -3.257  -1.732  -1.938
  300    H    PHE  45           H        PHE  45   0.890  -2.149  -0.949
  301    HA   PHE  45           HA       PHE  45   1.133  -1.563  -3.791
  302   1HB   PHE  45          1HB       PHE  45   3.196  -0.254  -3.472
  303   2HB   PHE  45          2HB       PHE  45   1.804   0.534  -2.735
  304    HD1  PHE  45           HD1      PHE  45   5.062  -0.902  -2.187
  305    HD2  PHE  45           HD2      PHE  45   1.508   0.431  -0.262
  306    HE1  PHE  45           HE1      PHE  45   6.270  -0.784  -0.046
  307    HE2  PHE  45           HE2      PHE  45   2.709   0.551   1.882
  308    HZ   PHE  45           HZ       PHE  45   5.094  -0.056   1.992
  309    H    TYR  46           H        TYR  46   3.121  -2.442  -4.729
  310    HA   TYR  46           HA       TYR  46   3.652  -5.056  -3.772
  311   1HB   TYR  46          1HB       TYR  46   5.114  -3.435  -5.868
  312   2HB   TYR  46          2HB       TYR  46   5.289  -5.168  -5.614
  313    HD1  TYR  46           HD1      TYR  46   3.077  -2.518  -6.861
  314    HD2  TYR  46           HD2      TYR  46   3.581  -6.711  -6.350
  315    HE1  TYR  46           HE1      TYR  46   1.212  -2.924  -8.410
  316    HE2  TYR  46           HE2      TYR  46   1.717  -7.130  -7.899
  317    HH   TYR  46           HH       TYR  46   0.391  -4.706  -9.877
  318    HA   PRO  47           HA       PRO  47   7.151  -4.611  -1.152
  319   1HB   PRO  47          1HB       PRO  47   8.886  -6.509  -2.059
  320   2HB   PRO  47          2HB       PRO  47   7.425  -6.888  -1.139
  321   1HG   PRO  47          1HG       PRO  47   7.883  -6.990  -4.096
  322   2HG   PRO  47          2HG       PRO  47   7.034  -8.147  -3.054
  323   1HD   PRO  47          1HD       PRO  47   5.719  -6.345  -4.576
  324   2HD   PRO  47          2HD       PRO  47   5.109  -6.870  -2.992
  325    H    ASN  48           H        ASN  48   9.571  -4.277  -1.105
  326    HA   ASN  48           HA       ASN  48  10.580  -3.037  -3.566
  327   1HB   ASN  48          1HB       ASN  48  11.398  -1.098  -2.282
  328   2HB   ASN  48          2HB       ASN  48   9.641  -1.224  -2.222
  329   2HD2  ASN  48          2HD2      ASN  48   8.640  -1.816  -0.299
  330   1HD2  ASN  48          1HD2      ASN  48   9.463  -1.754   1.219
  331    H    THR  49           H        THR  49  12.470  -3.916  -4.049
  332    HA   THR  49           HA       THR  49  13.973  -5.469  -2.190
  333    HB   THR  49           HB       THR  49  14.742  -4.484  -4.945
  334    HG1  THR  49           HG1      THR  49  12.926  -6.221  -4.263
  335   1HG2  THR  49          1HG2      THR  49  15.965  -6.646  -3.224
  336   2HG2  THR  49          2HG2      THR  49  16.407  -6.291  -4.894
  337   3HG2  THR  49          3HG2      THR  49  16.707  -5.097  -3.630
  338    H    ILE  50           H        ILE  50  14.644  -4.189  -0.489
  339    HA   ILE  50           HA       ILE  50  16.121  -1.745  -1.026
  340    HB   ILE  50           HB       ILE  50  15.422  -3.056   1.603
  341   1HG1  ILE  50          1HG1      ILE  50  14.183  -0.696   0.169
  342   2HG1  ILE  50          2HG1      ILE  50  13.453  -2.288   0.346
  343   1HG2  ILE  50          1HG2      ILE  50  17.408  -1.665   1.789
  344   2HG2  ILE  50          2HG2      ILE  50  16.559  -0.324   1.019
  345   3HG2  ILE  50          3HG2      ILE  50  16.040  -0.904   2.603
  346   1HD1  ILE  50          1HD1      ILE  50  13.380  -1.979   2.766
  347   2HD1  ILE  50          2HD1      ILE  50  14.104  -0.381   2.581
  348   3HD1  ILE  50          3HD1      ILE  50  12.503  -0.707   1.916
  349    H    ASP  51           H        ASP  51  18.236  -1.350  -0.168
  350    HA   ASP  51           HA       ASP  51  19.821  -3.674   0.592
  351   1HB   ASP  51          1HB       ASP  51  21.551  -3.186  -1.098
  352   2HB   ASP  51          2HB       ASP  51  20.018  -3.631  -1.842
  353    H    VAL  52           H        VAL  52  22.305  -2.669   0.616
  354    HA   VAL  52           HA       VAL  52  22.157  -0.705   2.730
  355    HB   VAL  52           HB       VAL  52  24.571  -1.021   2.948
  356   1HG1  VAL  52          1HG1      VAL  52  23.068  -3.618   2.642
  357   2HG1  VAL  52          2HG1      VAL  52  24.568  -3.398   3.543
  358   3HG1  VAL  52          3HG1      VAL  52  23.093  -2.590   4.075
  359   1HG2  VAL  52          1HG2      VAL  52  24.307  -2.814   0.536
  360   2HG2  VAL  52          2HG2      VAL  52  25.141  -1.261   0.594
  361   3HG2  VAL  52          3HG2      VAL  52  25.757  -2.627   1.523
  362    HA   PRO  53           HA       PRO  53  22.705   2.763   0.034
  363   1HB   PRO  53          1HB       PRO  53  23.473   4.240   2.455
  364   2HB   PRO  53          2HB       PRO  53  22.085   4.476   1.391
  365   1HG   PRO  53          1HG       PRO  53  21.821   3.480   3.877
  366   2HG   PRO  53          2HG       PRO  53  20.778   2.964   2.538
  367   1HD   PRO  53          1HD       PRO  53  23.140   1.574   3.746
  368   2HD   PRO  53          2HD       PRO  53  21.589   0.897   3.204
  369    HA   PRO  54           HA       PRO  54  27.319   3.472   1.482
  370   1HB   PRO  54          1HB       PRO  54  27.994   0.852   2.599
  371   2HB   PRO  54          2HB       PRO  54  28.256   2.458   3.282
  372   1HG   PRO  54          1HG       PRO  54  26.444   0.727   4.295
  373   2HG   PRO  54          2HG       PRO  54  26.218   2.485   4.343
  374   1HD   PRO  54          1HD       PRO  54  25.009   0.468   2.490
  375   2HD   PRO  54          2HD       PRO  54  24.268   1.891   3.250
  376    H    GLU  55           H        GLU  55  25.754   0.924  -0.067
  377    HA   GLU  55           HA       GLU  55  28.160   0.033  -1.480
  378   1HB   GLU  55          1HB       GLU  55  26.689  -1.718  -0.624
  379   2HB   GLU  55          2HB       GLU  55  25.334  -1.042  -1.517
  380   1HG   GLU  55          1HG       GLU  55  26.232  -2.995  -2.637
  381   2HG   GLU  55          2HG       GLU  55  26.453  -1.549  -3.620
  382    H    GLU  56           H        GLU  56  27.624   2.582  -2.124
  383    HA   GLU  56           HA       GLU  56  26.135   2.511  -4.653
  384   1HB   GLU  56          1HB       GLU  56  27.105   4.872  -3.033
  385   2HB   GLU  56          2HB       GLU  56  26.187   4.976  -4.529
  386   1HG   GLU  56          1HG       GLU  56  25.228   3.737  -1.960
  387   2HG   GLU  56          2HG       GLU  56  24.777   5.326  -2.575
  388    H    GLU  57           H        GLU  57  27.266   2.268  -6.453
  389    HA   GLU  57           HA       GLU  57  30.123   2.541  -6.482
  390   1HB   GLU  57          1HB       GLU  57  29.941   1.852  -8.838
  391   2HB   GLU  57          2HB       GLU  57  29.047   0.777  -7.771
  392   1HG   GLU  57          1HG       GLU  57  26.966   1.904  -8.381
  393   2HG   GLU  57          2HG       GLU  57  27.865   2.974  -9.455
  394    H    CYS  58           H        CYS  58  30.925   3.615  -8.735
  395    HA   CYS  58           HA       CYS  58  29.662   6.220  -9.102
  396   1HB   CYS  58          1HB       CYS  58  31.281   6.600  -7.311
  397   2HB   CYS  58          2HB       CYS  58  32.556   5.880  -8.288
  398    H    GLU  59           H        GLU  59  31.070   3.519 -10.359
  399    HA   GLU  59           HA       GLU  59  32.386   4.727 -12.625
  400   1HB   GLU  59          1HB       GLU  59  31.647   1.846 -12.083
  401   2HB   GLU  59          2HB       GLU  59  32.661   2.402 -13.408
  402   1HG   GLU  59          1HG       GLU  59  34.003   1.505 -11.602
  403   2HG   GLU  59          2HG       GLU  59  34.307   3.229 -11.816
  404    H    PHE  60           H        PHE  60  29.807   2.275 -12.575
  405    HA   PHE  60           HA       PHE  60  28.040   3.873 -14.174
  406   1HB   PHE  60          1HB       PHE  60  29.380   1.476 -15.447
  407   2HB   PHE  60          2HB       PHE  60  28.034   2.375 -16.138
  408    HD1  PHE  60           HD1      PHE  60  31.604   2.499 -15.282
  409    HD2  PHE  60           HD2      PHE  60  28.368   4.478 -17.212
  410    HE1  PHE  60           HE1      PHE  60  33.194   4.032 -16.365
  411    HE2  PHE  60           HE2      PHE  60  29.953   6.015 -18.299
  412    HZ   PHE  60           HZ       PHE  60  32.369   5.792 -17.877
  413    H1   GLU   1           H1       GLU   1  25.394  23.034  -3.013
  414    H2   GLU   1           H2       GLU   1  24.839  21.445  -2.844
  415    H3   GLU   1           H3       GLU   1  26.313  21.904  -2.154
  416    HA   GLU   1           HA       GLU   1  26.694  20.624  -4.139
  417   1HB   GLU   1          1HB       GLU   1  25.972  21.492  -6.315
  418   2HB   GLU   1          2HB       GLU   1  24.594  21.161  -5.275
  419   1HG   GLU   1          1HG       GLU   1  25.796  23.868  -5.811
  420   2HG   GLU   1          2HG       GLU   1  24.304  23.236  -6.504
  421    H    ALA   2           H        ALA   2  27.777  22.835  -2.463
  422    HA   ALA   2           HA       ALA   2  29.232  24.587  -4.188
  423   1HB   ALA   2          1HB       ALA   2  30.405  25.281  -2.171
  424   2HB   ALA   2          2HB       ALA   2  28.667  25.206  -1.887
  425   3HB   ALA   2          3HB       ALA   2  29.715  23.921  -1.286
  426    H    GLN   3           H        GLN   3  31.582  23.850  -2.157
  427    HA   GLN   3           HA       GLN   3  32.749  21.764  -3.881
  428   1HB   GLN   3          1HB       GLN   3  34.168  24.148  -2.674
  429   2HB   GLN   3          2HB       GLN   3  34.937  22.865  -3.598
  430   1HG   GLN   3          1HG       GLN   3  33.630  23.489  -5.561
  431   2HG   GLN   3          2HG       GLN   3  32.853  24.772  -4.635
  432   2HE2  GLN   3          2HE2      GLN   3  35.782  23.711  -6.169
  433   1HE2  GLN   3          1HE2      GLN   3  36.594  25.236  -6.135
  434    H    THR   4           H        THR   4  34.624  20.636  -2.822
  435    HA   THR   4           HA       THR   4  34.399  20.515   0.097
  436    HB   THR   4           HB       THR   4  34.351  18.053   0.064
  437    HG1  THR   4           HG1      THR   4  35.223  17.695  -2.014
  438   1HG2  THR   4          1HG2      THR   4  32.245  19.281   0.273
  439   2HG2  THR   4          2HG2      THR   4  32.086  19.322  -1.483
  440   3HG2  THR   4          3HG2      THR   4  32.014  17.782  -0.627
  441    H    GLU   5           H        GLU   5  36.239  19.756   1.163
  442    HA   GLU   5           HA       GLU   5  38.656  19.701  -0.507
  443   1HB   GLU   5          1HB       GLU   5  38.354  20.286   2.445
  444   2HB   GLU   5          2HB       GLU   5  39.871  20.301   1.556
  445   1HG   GLU   5          1HG       GLU   5  39.036  22.550   1.895
  446   2HG   GLU   5          2HG       GLU   5  39.063  22.139   0.181
  447    H    THR   6           H        THR   6  40.323  18.184  -0.050
  448    HA   THR   6           HA       THR   6  39.668  15.948   1.703
  449    HB   THR   6           HB       THR   6  40.254  15.557  -1.239
  450    HG1  THR   6           HG1      THR   6  38.138  15.766  -1.296
  451   1HG2  THR   6          1HG2      THR   6  41.308  13.843   0.163
  452   2HG2  THR   6          2HG2      THR   6  39.757  13.526   0.941
  453   3HG2  THR   6          3HG2      THR   6  39.972  13.173  -0.774
  454    H    CYS   7           H        CYS   7  41.523  14.365   1.804
  455    HA   CYS   7           HA       CYS   7  44.052  15.862   1.664
  456   1HB   CYS   7          1HB       CYS   7  43.255  13.575   3.474
  457   2HB   CYS   7          2HB       CYS   7  44.843  14.333   3.452
  458    H    THR   8           H        THR   8  42.503  13.808  -0.186
  459    HA   THR   8           HA       THR   8  44.530  11.786  -0.583
  460    HB   THR   8           HB       THR   8  42.195  11.202  -0.990
  461    HG1  THR   8           HG1      THR   8  43.289   9.929  -2.315
  462   1HG2  THR   8          1HG2      THR   8  41.377  13.389  -1.712
  463   2HG2  THR   8          2HG2      THR   8  42.311  13.255  -3.203
  464   3HG2  THR   8          3HG2      THR   8  40.975  12.146  -2.896
  465    H    VAL   9           H        VAL   9  46.243  13.437  -0.904
  466    HA   VAL   9           HA       VAL   9  46.174  14.677  -3.570
  467    HB   VAL   9           HB       VAL   9  47.988  15.318  -1.241
  468   1HG1  VAL   9          1HG1      VAL   9  47.579  16.701  -3.890
  469   2HG1  VAL   9          2HG1      VAL   9  48.550  17.325  -2.556
  470   3HG1  VAL   9          3HG1      VAL   9  49.022  15.832  -3.368
  471   1HG2  VAL   9          1HG2      VAL   9  45.501  16.687  -2.251
  472   2HG2  VAL   9          2HG2      VAL   9  45.749  15.947  -0.669
  473   3HG2  VAL   9          3HG2      VAL   9  46.633  17.409  -1.108
  474    H    ALA  10           H        ALA  10  48.319  14.846  -4.673
  475    HA   ALA  10           HA       ALA  10  49.661  12.252  -4.592
  476   1HB   ALA  10          1HB       ALA  10  50.601  12.875  -6.751
  477   2HB   ALA  10          2HB       ALA  10  48.847  13.066  -6.754
  478   3HB   ALA  10          3HB       ALA  10  49.889  14.481  -6.610
  479    HA   PRO  11           HA       PRO  11  52.936  13.726  -1.982
  480   1HB   PRO  11          1HB       PRO  11  54.428  11.821  -3.749
  481   2HB   PRO  11          2HB       PRO  11  54.483  11.999  -1.991
  482   1HG   PRO  11          1HG       PRO  11  53.084  10.029  -3.128
  483   2HG   PRO  11          2HG       PRO  11  52.492  10.860  -1.678
  484   1HD   PRO  11          1HD       PRO  11  51.537  11.038  -4.476
  485   2HD   PRO  11          2HD       PRO  11  50.659  11.324  -2.961
  486    H    ARG  12           H        ARG  12  53.086  13.635  -5.484
  487    HA   ARG  12           HA       ARG  12  55.394  15.404  -5.553
  488   1HB   ARG  12          1HB       ARG  12  55.241  15.162  -7.993
  489   2HB   ARG  12          2HB       ARG  12  55.284  13.600  -7.189
  490   1HG   ARG  12          1HG       ARG  12  52.870  13.384  -7.458
  491   2HG   ARG  12          2HG       ARG  12  52.815  14.960  -8.249
  492   1HD   ARG  12          1HD       ARG  12  54.309  12.532  -9.234
  493   2HD   ARG  12          2HD       ARG  12  52.788  13.143  -9.882
  494    HE   ARG  12           HE       ARG  12  54.599  15.231 -10.015
  495   1HH1  ARG  12          1HH1      ARG  12  54.272  12.026 -11.337
  496   2HH1  ARG  12          2HH1      ARG  12  55.134  12.397 -12.792
  497   1HH2  ARG  12          1HH2      ARG  12  55.737  15.731 -11.927
  498   2HH2  ARG  12          2HH2      ARG  12  55.968  14.504 -13.127
  499    H    GLU  13           H        GLU  13  51.933  15.524  -5.938
  500    HA   GLU  13           HA       GLU  13  52.073  18.286  -6.906
  501   1HB   GLU  13          1HB       GLU  13  49.712  16.412  -6.676
  502   2HB   GLU  13          2HB       GLU  13  49.659  18.036  -7.349
  503   1HG   GLU  13          1HG       GLU  13  51.241  15.721  -8.443
  504   2HG   GLU  13          2HG       GLU  13  49.729  16.349  -9.097
  505    H    ARG  14           H        ARG  14  51.697  16.567  -4.035
  506    HA   ARG  14           HA       ARG  14  49.797  17.951  -2.591
  507   1HB   ARG  14          1HB       ARG  14  52.461  16.905  -1.617
  508   2HB   ARG  14          2HB       ARG  14  51.123  17.374  -0.578
  509   1HG   ARG  14          1HG       ARG  14  49.738  15.621  -1.583
  510   2HG   ARG  14          2HG       ARG  14  51.100  15.141  -2.597
  511   1HD   ARG  14          1HD       ARG  14  52.405  14.615  -0.600
  512   2HD   ARG  14          2HD       ARG  14  51.054  15.109   0.419
  513    HE   ARG  14           HE       ARG  14  50.302  13.075  -1.430
  514   1HH1  ARG  14          1HH1      ARG  14  51.920  13.645   1.600
  515   2HH1  ARG  14          2HH1      ARG  14  51.600  12.059   2.218
  516   1HH2  ARG  14          1HH2      ARG  14  49.875  10.984  -0.627
  517   2HH2  ARG  14          2HH2      ARG  14  50.436  10.544   0.952
  518    H    GLN  15           H        GLN  15  49.585  19.975  -1.899
  519    HA   GLN  15           HA       GLN  15  51.642  21.904  -2.477
  520   1HB   GLN  15          1HB       GLN  15  49.271  22.437  -2.842
  521   2HB   GLN  15          2HB       GLN  15  48.959  22.242  -1.123
  522   1HG   GLN  15          1HG       GLN  15  49.094  24.569  -1.602
  523   2HG   GLN  15          2HG       GLN  15  50.526  24.112  -0.681
  524   2HE2  GLN  15          2HE2      GLN  15  51.712  22.811  -3.057
  525   1HE2  GLN  15          1HE2      GLN  15  52.303  24.102  -4.039
  526    H    ASN  16           H        ASN  16  53.335  21.301  -1.092
  527    HA   ASN  16           HA       ASN  16  53.517  20.597   1.439
  528   1HB   ASN  16          1HB       ASN  16  55.478  21.236   0.121
  529   2HB   ASN  16          2HB       ASN  16  55.053  22.938   0.292
  530   2HD2  ASN  16          2HD2      ASN  16  56.294  20.116   1.890
  531   1HD2  ASN  16          1HD2      ASN  16  56.913  20.928   3.284
  532    H    CYS  17           H        CYS  17  52.982  21.241   3.437
  533    HA   CYS  17           HA       CYS  17  52.350  24.036   3.951
  534   1HB   CYS  17          1HB       CYS  17  50.181  23.135   3.357
  535   2HB   CYS  17          2HB       CYS  17  50.406  21.775   4.453
  536    H    GLY  18           H        GLY  18  53.986  21.379   4.748
  537   1HA   GLY  18          1HA       GLY  18  53.640  21.095   7.531
  538   2HA   GLY  18          2HA       GLY  18  54.877  22.306   7.231
  539    H    PHE  19           H        PHE  19  56.838  21.504   7.382
  540    HA   PHE  19           HA       PHE  19  57.995  19.599   5.822
  541   1HB   PHE  19          1HB       PHE  19  59.746  19.395   7.544
  542   2HB   PHE  19          2HB       PHE  19  59.284  21.072   7.282
  543    HD1  PHE  19           HD1      PHE  19  59.165  18.246   9.604
  544    HD2  PHE  19           HD2      PHE  19  58.151  22.333   8.988
  545    HE1  PHE  19           HE1      PHE  19  58.728  18.496  12.012
  546    HE2  PHE  19           HE2      PHE  19  57.713  22.591  11.397
  547    HZ   PHE  19           HZ       PHE  19  58.001  20.670  12.912
  548    HA   PRO  20           HA       PRO  20  56.935  15.523   7.077
  549   1HB   PRO  20          1HB       PRO  20  59.304  14.315   7.728
  550   2HB   PRO  20          2HB       PRO  20  58.784  14.627   6.069
  551   1HG   PRO  20          1HG       PRO  20  60.667  16.189   7.790
  552   2HG   PRO  20          2HG       PRO  20  60.804  15.773   6.071
  553   1HD   PRO  20          1HD       PRO  20  60.011  18.213   6.887
  554   2HD   PRO  20          2HD       PRO  20  59.358  17.457   5.419
  555    H    GLY  21           H        GLY  21  59.618  16.348   9.289
  556   1HA   GLY  21          1HA       GLY  21  59.610  16.556  11.598
  557   2HA   GLY  21          2HA       GLY  21  58.982  14.918  11.483
  558    H    VAL  22           H        VAL  22  57.007  17.367  10.134
  559    HA   VAL  22           HA       VAL  22  55.627  18.379  12.299
  560    HB   VAL  22           HB       VAL  22  53.734  18.746  10.806
  561   1HG1  VAL  22          1HG1      VAL  22  56.390  19.168   9.442
  562   2HG1  VAL  22          2HG1      VAL  22  54.890  20.008   9.050
  563   3HG1  VAL  22          3HG1      VAL  22  55.644  20.241  10.627
  564   1HG2  VAL  22          1HG2      VAL  22  55.209  16.944   8.888
  565   2HG2  VAL  22          2HG2      VAL  22  53.682  16.587   9.693
  566   3HG2  VAL  22          3HG2      VAL  22  53.769  17.885   8.504
  567    H    THR  23           H        THR  23  53.495  17.846  13.138
  568    HA   THR  23           HA       THR  23  52.807  14.996  12.982
  569    HB   THR  23           HB       THR  23  52.409  14.925  15.411
  570    HG1  THR  23           HG1      THR  23  53.899  17.070  16.108
  571   1HG2  THR  23          1HG2      THR  23  55.213  15.769  14.672
  572   2HG2  THR  23          2HG2      THR  23  54.755  14.883  16.127
  573   3HG2  THR  23          3HG2      THR  23  54.553  14.139  14.541
  574    HA   PRO  24           HA       PRO  24  48.504  15.882  12.894
  575   1HB   PRO  24          1HB       PRO  24  48.170  14.934  15.701
  576   2HB   PRO  24          2HB       PRO  24  47.306  14.447  14.238
  577   1HG   PRO  24          1HG       PRO  24  49.164  12.867  15.304
  578   2HG   PRO  24          2HG       PRO  24  49.006  13.029  13.546
  579   1HD   PRO  24          1HD       PRO  24  51.044  14.198  15.383
  580   2HD   PRO  24          2HD       PRO  24  51.226  13.619  13.715
  581    H    SER  25           H        SER  25  49.882  16.701  16.072
  582    HA   SER  25           HA       SER  25  47.988  18.769  16.598
  583   1HB   SER  25          1HB       SER  25  50.682  18.217  17.867
  584   2HB   SER  25          2HB       SER  25  49.469  19.334  18.494
  585    HG   SER  25           HG       SER  25  49.573  17.030  19.307
  586    H    GLN  26           H        GLN  26  51.398  18.766  15.586
  587    HA   GLN  26           HA       GLN  26  51.724  21.543  15.455
  588   1HB   GLN  26          1HB       GLN  26  53.096  19.394  13.831
  589   2HB   GLN  26          2HB       GLN  26  53.647  21.057  13.981
  590   1HG   GLN  26          1HG       GLN  26  53.961  20.735  16.383
  591   2HG   GLN  26          2HG       GLN  26  53.413  19.067  16.227
  592   2HE2  GLN  26          2HE2      GLN  26  55.367  20.635  13.814
  593   1HE2  GLN  26          1HE2      GLN  26  56.810  19.730  14.103
  594    H    CYS  27           H        CYS  27  51.020  19.243  12.821
  595    HA   CYS  27           HA       CYS  27  50.785  21.074  10.756
  596   1HB   CYS  27          1HB       CYS  27  50.823  18.621  10.450
  597   2HB   CYS  27          2HB       CYS  27  49.197  18.523  11.115
  598    H    ALA  28           H        ALA  28  48.134  19.718  12.723
  599    HA   ALA  28           HA       ALA  28  46.006  21.127  11.749
  600   1HB   ALA  28          1HB       ALA  28  44.966  20.881  13.939
  601   2HB   ALA  28          2HB       ALA  28  46.536  20.522  14.657
  602   3HB   ALA  28          3HB       ALA  28  45.827  19.411  13.487
  603    H    ASN  29           H        ASN  29  48.442  22.247  14.055
  604    HA   ASN  29           HA       ASN  29  47.370  24.655  14.846
  605   1HB   ASN  29          1HB       ASN  29  49.483  23.780  15.726
  606   2HB   ASN  29          2HB       ASN  29  50.263  24.070  14.174
  607   2HD2  ASN  29          2HD2      ASN  29  50.905  25.114  16.817
  608   1HD2  ASN  29          1HD2      ASN  29  50.852  26.835  16.676
  609    H    LYS  30           H        LYS  30  49.107  23.906  11.859
  610    HA   LYS  30           HA       LYS  30  48.829  26.600  10.852
  611   1HB   LYS  30          1HB       LYS  30  50.798  25.275  10.257
  612   2HB   LYS  30          2HB       LYS  30  49.771  24.065   9.501
  613   1HG   LYS  30          1HG       LYS  30  49.056  25.697   7.838
  614   2HG   LYS  30          2HG       LYS  30  50.067  26.925   8.604
  615   1HD   LYS  30          1HD       LYS  30  51.041  24.351   7.362
  616   2HD   LYS  30          2HD       LYS  30  51.167  25.959   6.644
  617   1HE   LYS  30          1HE       LYS  30  52.564  26.684   8.519
  618   2HE   LYS  30          2HE       LYS  30  52.439  25.076   9.233
  619   1HZ   LYS  30          1HZ       LYS  30  53.663  25.696   6.599
  620   2HZ   LYS  30          2HZ       LYS  30  54.515  25.367   8.022
  621   3HZ   LYS  30          3HZ       LYS  30  53.564  24.164   7.308
  622    H    GLY  31           H        GLY  31  47.285  23.469  10.419
  623   1HA   GLY  31          1HA       GLY  31  45.031  24.850   9.148
  624   2HA   GLY  31          2HA       GLY  31  44.972  23.276   9.927
  625    H    CYS  32           H        CYS  32  46.545  21.640   8.787
  626    HA   CYS  32           HA       CYS  32  45.601  21.519   6.047
  627   1HB   CYS  32          1HB       CYS  32  48.543  21.441   6.732
  628   2HB   CYS  32          2HB       CYS  32  47.877  20.943   5.181
  629    H    CYS  33           H        CYS  33  46.562  19.352   5.050
  630    HA   CYS  33           HA       CYS  33  45.629  17.270   6.801
  631   1HB   CYS  33          1HB       CYS  33  46.739  17.152   3.990
  632   2HB   CYS  33          2HB       CYS  33  46.020  15.791   4.845
  633    H    PHE  34           H        PHE  34  46.808  15.340   7.311
  634    HA   PHE  34           HA       PHE  34  49.727  15.736   7.402
  635   1HB   PHE  34          1HB       PHE  34  48.727  16.075   9.624
  636   2HB   PHE  34          2HB       PHE  34  47.981  14.483   9.534
  637    HD1  PHE  34           HD1      PHE  34  50.989  16.344  10.254
  638    HD2  PHE  34           HD2      PHE  34  49.406  12.454   9.569
  639    HE1  PHE  34           HE1      PHE  34  53.005  15.352  11.256
  640    HE2  PHE  34           HE2      PHE  34  51.419  11.455  10.571
  641    HZ   PHE  34           HZ       PHE  34  53.222  12.904  11.415
  642    H    ASP  35           H        ASP  35  50.629  14.315   6.068
  643    HA   ASP  35           HA       ASP  35  49.759  11.515   6.212
  644   1HB   ASP  35          1HB       ASP  35  48.722  12.466   4.210
  645   2HB   ASP  35          2HB       ASP  35  50.290  13.044   3.655
  646    H    ASP  36           H        ASP  36  51.473  10.524   7.062
  647    HA   ASP  36           HA       ASP  36  54.143  11.213   6.027
  648   1HB   ASP  36          1HB       ASP  36  55.043  10.304   8.127
  649   2HB   ASP  36          2HB       ASP  36  53.905  11.613   8.432
  650    H    THR  37           H        THR  37  52.251   9.411   4.749
  651    HA   THR  37           HA       THR  37  53.208   6.730   5.267
  652    HB   THR  37           HB       THR  37  51.713   6.053   3.434
  653    HG1  THR  37           HG1      THR  37  50.721   8.673   3.223
  654   1HG2  THR  37          1HG2      THR  37  50.433   7.968   5.389
  655   2HG2  THR  37          2HG2      THR  37  49.590   6.718   4.474
  656   3HG2  THR  37          3HG2      THR  37  50.791   6.267   5.685
  657    H    VAL  38           H        VAL  38  53.925   9.341   3.114
  658    HA   VAL  38           HA       VAL  38  55.650   7.572   1.509
  659    HB   VAL  38           HB       VAL  38  54.570  10.300   0.786
  660   1HG1  VAL  38          1HG1      VAL  38  56.202   8.341  -0.825
  661   2HG1  VAL  38          2HG1      VAL  38  55.497   9.838  -1.438
  662   3HG1  VAL  38          3HG1      VAL  38  56.754   9.896  -0.202
  663   1HG2  VAL  38          1HG2      VAL  38  52.826   8.602   0.782
  664   2HG2  VAL  38          2HG2      VAL  38  53.218   9.090  -0.866
  665   3HG2  VAL  38          3HG2      VAL  38  53.823   7.560  -0.233
  666    H    ARG  39           H        ARG  39  57.801   7.917   1.440
  667    HA   ARG  39           HA       ARG  39  58.915   9.858   3.282
  668   1HB   ARG  39          1HB       ARG  39  60.243   7.756   1.562
  669   2HB   ARG  39          2HB       ARG  39  61.075   8.764   2.738
  670   1HG   ARG  39          1HG       ARG  39  58.880   6.801   3.364
  671   2HG   ARG  39          2HG       ARG  39  60.606   6.530   3.608
  672   1HD   ARG  39          1HD       ARG  39  58.945   8.675   4.927
  673   2HD   ARG  39          2HD       ARG  39  59.495   7.182   5.688
  674    HE   ARG  39           HE       ARG  39  61.670   8.687   4.635
  675   1HH1  ARG  39          1HH1      ARG  39  59.450   8.494   7.310
  676   2HH1  ARG  39          2HH1      ARG  39  60.519   9.282   8.422
  677   1HH2  ARG  39          1HH2      ARG  39  63.086   9.726   6.090
  678   2HH2  ARG  39          2HH2      ARG  39  62.586   9.982   7.728
  679    H    GLY  40           H        GLY  40  60.507  11.412   2.713
  680   1HA   GLY  40          1HA       GLY  40  61.011  11.965  -0.083
  681   2HA   GLY  40          2HA       GLY  40  61.657  12.850   1.290
  682    H    VAL  41           H        VAL  41  58.282  12.170   0.433
  683    HA   VAL  41           HA       VAL  41  57.826  14.888  -0.422
  684    HB   VAL  41           HB       VAL  41  55.504  14.205  -0.757
  685   1HG1  VAL  41          1HG1      VAL  41  57.487  12.167  -1.763
  686   2HG1  VAL  41          2HG1      VAL  41  55.883  12.457  -2.436
  687   3HG1  VAL  41          3HG1      VAL  41  57.112  13.718  -2.514
  688   1HG2  VAL  41          1HG2      VAL  41  55.248  12.758   1.185
  689   2HG2  VAL  41          2HG2      VAL  41  54.795  11.904  -0.290
  690   3HG2  VAL  41          3HG2      VAL  41  56.353  11.583   0.470
  691    HA   PRO  42           HA       PRO  42  56.526  16.637   3.404
  692   1HB   PRO  42          1HB       PRO  42  54.573  18.338   2.585
  693   2HB   PRO  42          2HB       PRO  42  56.291  18.636   2.296
  694   1HG   PRO  42          1HG       PRO  42  54.226  17.515   0.442
  695   2HG   PRO  42          2HG       PRO  42  55.494  18.711   0.113
  696   1HD   PRO  42          1HD       PRO  42  55.737  16.107  -0.582
  697   2HD   PRO  42          2HD       PRO  42  57.130  17.100  -0.108
  698    H    TRP  43           H        TRP  43  55.186  16.089   5.026
  699    HA   TRP  43           HA       TRP  43  52.969  14.323   4.442
  700   1HB   TRP  43          1HB       TRP  43  54.075  15.276   7.092
  701   2HB   TRP  43          2HB       TRP  43  52.857  14.023   6.887
  702    HD1  TRP  43           HD1      TRP  43  54.748  12.976   4.207
  703    HE1  TRP  43           HE1      TRP  43  56.660  11.362   4.813
  704    HE3  TRP  43           HE3      TRP  43  55.074  13.947   9.216
  705    HZ2  TRP  43           HZ2      TRP  43  58.114  10.602   7.111
  706    HZ3  TRP  43           HZ3      TRP  43  56.751  12.734  10.546
  707    HH2  TRP  43           HH2      TRP  43  58.239  11.095   9.513
  708    H    CYS  44           H        CYS  44  53.392  17.344   6.297
  709    HA   CYS  44           HA       CYS  44  50.532  17.756   6.401
  710   1HB   CYS  44          1HB       CYS  44  51.923  18.391   8.315
  711   2HB   CYS  44          2HB       CYS  44  52.813  19.526   7.306
  712    H    PHE  45           H        PHE  45  49.685  18.211   4.438
  713    HA   PHE  45           HA       PHE  45  50.756  20.569   3.040
  714   1HB   PHE  45          1HB       PHE  45  50.147  19.491   0.893
  715   2HB   PHE  45          2HB       PHE  45  51.388  18.600   1.766
  716    HD1  PHE  45           HD1      PHE  45  47.836  18.635   0.808
  717    HD2  PHE  45           HD2      PHE  45  51.006  16.391   2.548
  718    HE1  PHE  45           HE1      PHE  45  46.463  16.598   0.673
  719    HE2  PHE  45           HE2      PHE  45  49.639  14.350   2.415
  720    HZ   PHE  45           HZ       PHE  45  47.365  14.451   1.476
  721    H    TYR  46           H        TYR  46  49.118  21.507   1.486
  722    HA   TYR  46           HA       TYR  46  46.700  22.023   2.923
  723   1HB   TYR  46          1HB       TYR  46  47.557  22.884   0.152
  724   2HB   TYR  46          2HB       TYR  46  46.163  23.513   1.023
  725    HD1  TYR  46           HD1      TYR  46  46.442  25.057   2.870
  726    HD2  TYR  46           HD2      TYR  46  49.822  23.494   0.815
  727    HE1  TYR  46           HE1      TYR  46  47.860  26.776   3.908
  728    HE2  TYR  46           HE2      TYR  46  51.251  25.208   1.848
  729    HH   TYR  46           HH       TYR  46  50.229  27.126   4.455
  730    HA   PRO  47           HA       PRO  47  44.092  18.990   1.053
  731   1HB   PRO  47          1HB       PRO  47  41.678  20.135   1.438
  732   2HB   PRO  47          2HB       PRO  47  42.631  19.472   2.770
  733   1HG   PRO  47          1HG       PRO  47  42.334  22.316   1.886
  734   2HG   PRO  47          2HG       PRO  47  42.337  21.649   3.529
  735   1HD   PRO  47          1HD       PRO  47  44.511  22.838   2.394
  736   2HD   PRO  47          2HD       PRO  47  44.631  21.562   3.621
  737    H    ASN  48           H        ASN  48  41.905  19.124  -0.389
  738    HA   ASN  48           HA       ASN  48  42.364  21.044  -2.564
  739   1HB   ASN  48          1HB       ASN  48  41.945  18.067  -2.909
  740   2HB   ASN  48          2HB       ASN  48  41.988  19.241  -4.221
  741   2HD2  ASN  48          2HD2      ASN  48  43.839  17.566  -1.805
  742   1HD2  ASN  48          1HD2      ASN  48  45.397  17.938  -2.453
  743    H    THR  49           H        THR  49  40.573  22.102  -3.059
  744    HA   THR  49           HA       THR  49  38.010  21.093  -2.100
  745    HB   THR  49           HB       THR  49  38.730  23.781  -3.284
  746    HG1  THR  49           HG1      THR  49  37.979  24.015  -0.788
  747   1HG2  THR  49          1HG2      THR  49  36.179  22.844  -1.965
  748   2HG2  THR  49          2HG2      THR  49  36.531  24.501  -2.457
  749   3HG2  THR  49          3HG2      THR  49  36.383  23.232  -3.673
  750    H    ILE  50           H        ILE  50  37.269  19.589  -3.522
  751    HA   ILE  50           HA       ILE  50  37.153  20.312  -6.368
  752    HB   ILE  50           HB       ILE  50  36.772  17.623  -5.045
  753   1HG1  ILE  50          1HG1      ILE  50  39.018  18.712  -6.759
  754   2HG1  ILE  50          2HG1      ILE  50  39.100  18.393  -5.029
  755   1HG2  ILE  50          1HG2      ILE  50  35.390  17.826  -7.032
  756   2HG2  ILE  50          2HG2      ILE  50  36.784  18.368  -7.967
  757   3HG2  ILE  50          3HG2      ILE  50  36.736  16.725  -7.328
  758   1HD1  ILE  50          1HD1      ILE  50  38.765  16.014  -5.454
  759   2HD1  ILE  50          2HD1      ILE  50  38.686  16.337  -7.186
  760   3HD1  ILE  50          3HD1      ILE  50  40.182  16.635  -6.300
  761    H    ASP  51           H        ASP  51  35.152  19.414  -7.512
  762    HA   ASP  51           HA       ASP  51  32.794  20.191  -5.938
  763   1HB   ASP  51          1HB       ASP  51  33.197  20.156  -8.936
  764   2HB   ASP  51          2HB       ASP  51  31.720  20.653  -8.115
  765    H    VAL  52           H        VAL  52  30.764  19.064  -6.404
  766    HA   VAL  52           HA       VAL  52  30.880  16.477  -7.671
  767    HB   VAL  52           HB       VAL  52  30.244  15.174  -5.703
  768   1HG1  VAL  52          1HG1      VAL  52  32.595  15.263  -6.323
  769   2HG1  VAL  52          2HG1      VAL  52  32.819  16.699  -5.324
  770   3HG1  VAL  52          3HG1      VAL  52  32.419  15.154  -4.572
  771   1HG2  VAL  52          1HG2      VAL  52  29.197  16.940  -4.395
  772   2HG2  VAL  52          2HG2      VAL  52  30.447  16.128  -3.452
  773   3HG2  VAL  52          3HG2      VAL  52  30.764  17.713  -4.158
  774    HA   PRO  53           HA       PRO  53  26.746  18.590  -7.676
  775   1HB   PRO  53          1HB       PRO  53  26.306  18.293 -10.334
  776   2HB   PRO  53          2HB       PRO  53  27.220  19.648  -9.662
  777   1HG   PRO  53          1HG       PRO  53  28.226  17.123 -10.915
  778   2HG   PRO  53          2HG       PRO  53  28.797  18.786 -11.137
  779   1HD   PRO  53          1HD       PRO  53  30.052  17.013  -9.515
  780   2HD   PRO  53          2HD       PRO  53  30.028  18.758  -9.189
  781    HA   PRO  54           HA       PRO  54  25.100  14.389  -7.403
  782   1HB   PRO  54          1HB       PRO  54  22.792  15.734  -6.202
  783   2HB   PRO  54          2HB       PRO  54  23.877  14.536  -5.495
  784   1HG   PRO  54          1HG       PRO  54  23.877  17.119  -4.712
  785   2HG   PRO  54          2HG       PRO  54  25.348  16.128  -4.721
  786   1HD   PRO  54          1HD       PRO  54  24.435  18.184  -6.699
  787   2HD   PRO  54          2HD       PRO  54  26.063  17.886  -6.053
  788    H    GLU  55           H        GLU  55  24.777  14.268  -9.693
  789    HA   GLU  55           HA       GLU  55  22.189  15.275 -10.651
  790   1HB   GLU  55          1HB       GLU  55  24.133  15.952 -11.974
  791   2HB   GLU  55          2HB       GLU  55  24.583  14.267 -12.201
  792   1HG   GLU  55          1HG       GLU  55  22.514  13.880 -13.439
  793   2HG   GLU  55          2HG       GLU  55  22.067  15.571 -13.216
  794    H    GLU  56           H        GLU  56  23.257  12.957 -12.731
  795    HA   GLU  56           HA       GLU  56  21.200  11.111 -11.882
  796   1HB   GLU  56          1HB       GLU  56  23.082  11.014 -14.248
  797   2HB   GLU  56          2HB       GLU  56  21.727   9.924 -13.981
  798   1HG   GLU  56          1HG       GLU  56  21.546  12.900 -14.399
  799   2HG   GLU  56          2HG       GLU  56  21.175  11.657 -15.593
  800    H    GLU  57           H        GLU  57  24.717  11.176 -12.126
  801    HA   GLU  57           HA       GLU  57  24.788   8.650 -10.612
  802   1HB   GLU  57          1HB       GLU  57  25.527   8.271 -12.917
  803   2HB   GLU  57          2HB       GLU  57  26.721   9.551 -12.756
  804   1HG   GLU  57          1HG       GLU  57  27.738   7.354 -12.550
  805   2HG   GLU  57          2HG       GLU  57  27.890   8.274 -11.054
  806    H    CYS  58           H        CYS  58  27.873   9.608 -11.173
  807    HA   CYS  58           HA       CYS  58  27.989  11.209  -8.703
  808   1HB   CYS  58          1HB       CYS  58  30.128  10.095  -8.178
  809   2HB   CYS  58          2HB       CYS  58  28.790   8.952  -8.250
  810    H    GLU  59           H        GLU  59  30.510  10.214 -10.988
  811    HA   GLU  59           HA       GLU  59  30.795  12.988 -11.877
  812   1HB   GLU  59          1HB       GLU  59  33.231  12.906 -11.544
  813   2HB   GLU  59          2HB       GLU  59  32.359  12.756 -10.025
  814   1HG   GLU  59          1HG       GLU  59  32.713  10.340 -10.058
  815   2HG   GLU  59          2HG       GLU  59  33.584  10.490 -11.583
  816    H    PHE  60           H        PHE  60  32.855  12.909 -13.516
  817    HA   PHE  60           HA       PHE  60  31.926  11.329 -15.700
  818   1HB   PHE  60          1HB       PHE  60  34.441  12.987 -15.422
  819   2HB   PHE  60          2HB       PHE  60  33.828  12.316 -16.930
  820    HD1  PHE  60           HD1      PHE  60  33.264  14.817 -14.304
  821    HD2  PHE  60           HD2      PHE  60  31.984  13.314 -18.075
  822    HE1  PHE  60           HE1      PHE  60  31.897  16.835 -14.640
  823    HE2  PHE  60           HE2      PHE  60  30.616  15.330 -18.417
  824    HZ   PHE  60           HZ       PHE  60  30.571  17.094 -16.698

  No H/Q in entry =         824
  Start of MODEL    5
    1    H1   GLU   1           H1       GLU   1  23.424 -15.329  -4.768
    2    H2   GLU   1           H2       GLU   1  24.653 -15.030  -5.892
    3    H3   GLU   1           H3       GLU   1  25.031 -15.216  -4.253
    4    HA   GLU   1           HA       GLU   1  25.120 -12.903  -4.868
    5   1HB   GLU   1          1HB       GLU   1  23.065 -11.752  -5.570
    6   2HB   GLU   1          2HB       GLU   1  23.539 -12.989  -6.725
    7   1HG   GLU   1          1HG       GLU   1  21.864 -14.503  -5.794
    8   2HG   GLU   1          2HG       GLU   1  21.387 -13.259  -4.639
    9    H    ALA   2           H        ALA   2  22.724 -11.443  -3.935
   10    HA   ALA   2           HA       ALA   2  22.031 -12.475  -1.357
   11   1HB   ALA   2          1HB       ALA   2  23.937 -10.138  -1.443
   12   2HB   ALA   2          2HB       ALA   2  23.159 -10.794  -0.003
   13   3HB   ALA   2          3HB       ALA   2  24.329 -11.768  -0.894
   14    H    GLN   3           H        GLN   3  19.997 -12.016  -2.447
   15    HA   GLN   3           HA       GLN   3  19.264  -9.167  -2.272
   16   1HB   GLN   3          1HB       GLN   3  18.089 -11.289  -4.078
   17   2HB   GLN   3          2HB       GLN   3  17.530  -9.626  -3.967
   18   1HG   GLN   3          1HG       GLN   3  19.704  -8.844  -4.768
   19   2HG   GLN   3          2HG       GLN   3  20.254 -10.516  -4.890
   20   2HE2  GLN   3          2HE2      GLN   3  18.198  -8.063  -6.239
   21   1HE2  GLN   3          1HE2      GLN   3  17.850  -8.880  -7.721
   22    H    THR   4           H        THR   4  16.863  -8.859  -1.871
   23    HA   THR   4           HA       THR   4  15.461 -10.946  -0.490
   24    HB   THR   4           HB       THR   4  15.326  -9.818   1.695
   25    HG1  THR   4           HG1      THR   4  17.531  -8.210   0.973
   26   1HG2  THR   4          1HG2      THR   4  18.154 -10.424   0.822
   27   2HG2  THR   4          2HG2      THR   4  17.583 -10.370   2.489
   28   3HG2  THR   4          3HG2      THR   4  16.968 -11.601   1.388
   29    H    GLU   5           H        GLU   5  13.337 -10.241   0.273
   30    HA   GLU   5           HA       GLU   5  12.314  -8.068  -1.395
   31   1HB   GLU   5          1HB       GLU   5  10.846 -10.214   0.149
   32   2HB   GLU   5          2HB       GLU   5  10.092  -9.022  -0.902
   33   1HG   GLU   5          1HG       GLU   5  12.048 -11.147  -1.753
   34   2HG   GLU   5          2HG       GLU   5  10.303 -11.174  -2.008
   35    H    THR   6           H        THR   6  11.074  -6.376  -0.580
   36    HA   THR   6           HA       THR   6  10.727  -6.130   2.297
   37    HB   THR   6           HB       THR   6  12.963  -5.211   1.994
   38    HG1  THR   6           HG1      THR   6  11.695  -2.811   2.271
   39   1HG2  THR   6          1HG2      THR   6  11.670  -3.336   0.009
   40   2HG2  THR   6          2HG2      THR   6  13.331  -3.227   0.592
   41   3HG2  THR   6          3HG2      THR   6  12.824  -4.615  -0.369
   42    H    CYS   7           H        CYS   7   9.437  -4.221   2.883
   43    HA   CYS   7           HA       CYS   7   7.683  -3.382   0.668
   44   1HB   CYS   7          1HB       CYS   7   6.971  -3.870   3.567
   45   2HB   CYS   7          2HB       CYS   7   5.871  -3.208   2.362
   46    H    THR   8           H        THR   8   9.928  -2.349   2.907
   47    HA   THR   8           HA       THR   8   8.826   0.162   3.657
   48    HB   THR   8           HB       THR   8  10.632  -0.832   4.958
   49    HG1  THR   8           HG1      THR   8  11.802   1.062   5.214
   50   1HG2  THR   8          1HG2      THR   8  12.337  -0.357   2.509
   51   2HG2  THR   8          2HG2      THR   8  12.931  -0.878   4.086
   52   3HG2  THR   8          3HG2      THR   8  11.859  -1.927   3.157
   53    H    VAL   9           H        VAL   9   8.083   1.234   1.839
   54    HA   VAL   9           HA       VAL   9  10.184   2.235   0.032
   55    HB   VAL   9           HB       VAL   9   7.343   1.556  -0.745
   56   1HG1  VAL   9          1HG1      VAL   9   9.632   2.617  -2.399
   57   2HG1  VAL   9          2HG1      VAL   9   8.060   2.113  -3.022
   58   3HG1  VAL   9          3HG1      VAL   9   8.177   3.503  -1.942
   59   1HG2  VAL   9          1HG2      VAL   9   9.952   0.232  -1.489
   60   2HG2  VAL   9          2HG2      VAL   9   8.704  -0.439  -0.439
   61   3HG2  VAL   9          3HG2      VAL   9   8.368  -0.175  -2.150
   62    H    ALA  10           H        ALA  10   9.294   4.224  -1.220
   63    HA   ALA  10           HA       ALA  10   8.262   6.075   0.793
   64   1HB   ALA  10          1HB       ALA  10  10.338   6.673  -0.358
   65   2HB   ALA  10          2HB       ALA  10   9.489   6.643  -1.904
   66   3HB   ALA  10          3HB       ALA  10   9.058   7.842  -0.684
   67    HA   PRO  11           HA       PRO  11   4.099   5.897  -0.725
   68   1HB   PRO  11          1HB       PRO  11   4.258   8.783   0.050
   69   2HB   PRO  11          2HB       PRO  11   3.006   7.589   0.416
   70   1HG   PRO  11          1HG       PRO  11   4.804   8.281   2.256
   71   2HG   PRO  11          2HG       PRO  11   4.248   6.604   2.106
   72   1HD   PRO  11          1HD       PRO  11   6.847   7.811   1.329
   73   2HD   PRO  11          2HD       PRO  11   6.477   6.152   1.838
   74    H    ARG  12           H        ARG  12   6.539   8.119  -1.801
   75    HA   ARG  12           HA       ARG  12   4.934   9.074  -4.029
   76   1HB   ARG  12          1HB       ARG  12   7.814   9.630  -3.295
   77   2HB   ARG  12          2HB       ARG  12   6.926  10.417  -4.592
   78   1HG   ARG  12          1HG       ARG  12   6.276  10.575  -1.656
   79   2HG   ARG  12          2HG       ARG  12   7.048  11.833  -2.624
   80   1HD   ARG  12          1HD       ARG  12   5.045  11.980  -4.024
   81   2HD   ARG  12          2HD       ARG  12   4.276  10.723  -3.056
   82    HE   ARG  12           HE       ARG  12   5.088  12.829  -1.377
   83   1HH1  ARG  12          1HH1      ARG  12   2.743  12.102  -3.847
   84   2HH1  ARG  12          2HH1      ARG  12   1.569  13.224  -3.245
   85   1HH2  ARG  12          1HH2      ARG  12   3.550  14.309  -0.575
   86   2HH2  ARG  12          2HH2      ARG  12   2.028  14.480  -1.385
   87    H    GLU  13           H        GLU  13   7.509   6.807  -3.375
   88    HA   GLU  13           HA       GLU  13   7.639   6.143  -6.239
   89   1HB   GLU  13          1HB       GLU  13   9.620   5.535  -4.038
   90   2HB   GLU  13          2HB       GLU  13   9.798   5.063  -5.722
   91   1HG   GLU  13          1HG       GLU  13   9.855   7.413  -6.378
   92   2HG   GLU  13          2HG       GLU  13   9.674   7.888  -4.689
   93    H    ARG  14           H        ARG  14   5.436   5.224  -4.910
   94    HA   ARG  14           HA       ARG  14   6.027   2.381  -4.423
   95   1HB   ARG  14          1HB       ARG  14   3.641   4.016  -3.546
   96   2HB   ARG  14          2HB       ARG  14   3.866   2.301  -3.229
   97   1HG   ARG  14          1HG       ARG  14   5.856   2.805  -1.905
   98   2HG   ARG  14          2HG       ARG  14   5.629   4.526  -2.224
   99   1HD   ARG  14          1HD       ARG  14   3.453   4.442  -1.101
  100   2HD   ARG  14          2HD       ARG  14   3.688   2.724  -0.779
  101    HE   ARG  14           HE       ARG  14   5.870   4.120   0.274
  102   1HH1  ARG  14          1HH1      ARG  14   2.445   3.773   0.799
  103   2HH1  ARG  14          2HH1      ARG  14   2.538   4.112   2.494
  104   1HH2  ARG  14          1HH2      ARG  14   6.005   4.568   2.507
  105   2HH2  ARG  14          2HH2      ARG  14   4.563   4.565   3.466
  106    H    GLN  15           H        GLN  15   4.913   0.804  -5.521
  107    HA   GLN  15           HA       GLN  15   3.317   1.741  -7.809
  108   1HB   GLN  15          1HB       GLN  15   4.915  -0.807  -7.501
  109   2HB   GLN  15          2HB       GLN  15   3.963  -0.372  -8.914
  110   1HG   GLN  15          1HG       GLN  15   6.321   0.055  -9.279
  111   2HG   GLN  15          2HG       GLN  15   5.396   1.556  -9.301
  112   2HE2  GLN  15          2HE2      GLN  15   7.188   2.808  -8.820
  113   1HE2  GLN  15          1HE2      GLN  15   7.916   2.821  -7.253
  114    H    ASN  16           H        ASN  16   1.322   1.759  -6.754
  115    HA   ASN  16           HA       ASN  16   0.026   0.282  -5.055
  116   1HB   ASN  16          1HB       ASN  16  -1.142   1.852  -6.526
  117   2HB   ASN  16          2HB       ASN  16  -1.028   0.707  -7.860
  118   2HD2  ASN  16          2HD2      ASN  16  -3.368   1.907  -6.581
  119   1HD2  ASN  16          1HD2      ASN  16  -4.344   0.586  -6.048
  120    H    CYS  17           H        CYS  17  -0.953  -1.738  -4.799
  121    HA   CYS  17           HA       CYS  17  -0.289  -3.795  -6.781
  122   1HB   CYS  17          1HB       CYS  17   1.479  -3.828  -5.056
  123   2HB   CYS  17          2HB       CYS  17   0.253  -4.047  -3.814
  124    H    GLY  18           H        GLY  18  -2.594  -2.275  -5.129
  125   1HA   GLY  18          1HA       GLY  18  -4.259  -3.957  -3.830
  126   2HA   GLY  18          2HA       GLY  18  -4.487  -4.425  -5.509
  127    H    PHE  19           H        PHE  19  -6.151  -2.985  -3.368
  128    HA   PHE  19           HA       PHE  19  -7.051  -0.819  -5.138
  129   1HB   PHE  19          1HB       PHE  19  -9.224  -1.009  -3.952
  130   2HB   PHE  19          2HB       PHE  19  -8.756  -2.494  -4.772
  131    HD1  PHE  19           HD1      PHE  19  -7.934  -4.418  -3.462
  132    HD2  PHE  19           HD2      PHE  19  -9.488  -0.923  -1.597
  133    HE1  PHE  19           HE1      PHE  19  -8.222  -5.670  -1.363
  134    HE2  PHE  19           HE2      PHE  19  -9.776  -2.168   0.505
  135    HZ   PHE  19           HZ       PHE  19  -9.143  -4.544   0.624
  136    HA   PRO  20           HA       PRO  20  -6.316   2.363  -2.207
  137   1HB   PRO  20          1HB       PRO  20  -8.675   3.688  -1.939
  138   2HB   PRO  20          2HB       PRO  20  -7.673   3.786  -3.391
  139   1HG   PRO  20          1HG       PRO  20 -10.104   2.115  -2.873
  140   2HG   PRO  20          2HG       PRO  20  -9.667   3.038  -4.325
  141   1HD   PRO  20          1HD       PRO  20  -9.319   0.362  -4.149
  142   2HD   PRO  20          2HD       PRO  20  -8.228   1.404  -5.084
  143    H    GLY  21           H        GLY  21  -9.459   0.854  -1.443
  144   1HA   GLY  21          1HA       GLY  21 -10.464   0.441   0.595
  145   2HA   GLY  21          2HA       GLY  21  -9.266   1.484   1.347
  146    H    VAL  22           H        VAL  22  -7.411  -0.547  -0.319
  147    HA   VAL  22           HA       VAL  22  -7.524  -3.044   0.827
  148    HB   VAL  22           HB       VAL  22  -5.097  -3.224   0.430
  149   1HG1  VAL  22          1HG1      VAL  22  -6.693  -1.879  -1.744
  150   2HG1  VAL  22          2HG1      VAL  22  -5.158  -2.710  -2.002
  151   3HG1  VAL  22          3HG1      VAL  22  -6.564  -3.609  -1.430
  152   1HG2  VAL  22          1HG2      VAL  22  -5.300  -0.272  -0.150
  153   2HG2  VAL  22          2HG2      VAL  22  -4.367  -1.041   1.133
  154   3HG2  VAL  22          3HG2      VAL  22  -3.910  -1.279  -0.554
  155    H    THR  23           H        THR  23  -7.384  -3.767   2.833
  156    HA   THR  23           HA       THR  23  -6.082  -2.079   4.862
  157    HB   THR  23           HB       THR  23  -7.405  -3.307   6.532
  158    HG1  THR  23           HG1      THR  23  -9.084  -4.455   4.657
  159   1HG2  THR  23          1HG2      THR  23  -9.073  -2.193   4.274
  160   2HG2  THR  23          2HG2      THR  23  -9.616  -2.421   5.935
  161   3HG2  THR  23          3HG2      THR  23  -8.337  -1.261   5.577
  162    HA   PRO  24           HA       PRO  24  -3.028  -4.936   6.260
  163   1HB   PRO  24          1HB       PRO  24  -4.797  -6.003   8.417
  164   2HB   PRO  24          2HB       PRO  24  -3.134  -5.413   8.515
  165   1HG   PRO  24          1HG       PRO  24  -5.154  -3.907   9.365
  166   2HG   PRO  24          2HG       PRO  24  -3.783  -3.186   8.503
  167   1HD   PRO  24          1HD       PRO  24  -6.548  -3.740   7.541
  168   2HD   PRO  24          2HD       PRO  24  -5.446  -2.416   7.113
  169    H    SER  25           H        SER  25  -6.222  -6.494   6.588
  170    HA   SER  25           HA       SER  25  -5.128  -9.064   5.834
  171   1HB   SER  25          1HB       SER  25  -7.982  -8.217   6.386
  172   2HB   SER  25          2HB       SER  25  -7.443  -9.878   6.139
  173    HG   SER  25           HG       SER  25  -7.083  -9.868   8.202
  174    H    GLN  26           H        GLN  26  -7.051  -6.514   4.383
  175    HA   GLN  26           HA       GLN  26  -7.916  -7.946   2.110
  176   1HB   GLN  26          1HB       GLN  26  -7.457  -4.974   2.429
  177   2HB   GLN  26          2HB       GLN  26  -8.375  -5.731   1.136
  178   1HG   GLN  26          1HG       GLN  26  -9.078  -5.903   4.056
  179   2HG   GLN  26          2HG       GLN  26  -9.774  -4.750   2.920
  180   2HE2  GLN  26          2HE2      GLN  26  -8.978  -8.010   1.998
  181   1HE2  GLN  26          1HE2      GLN  26 -10.601  -8.575   1.836
  182    H    CYS  27           H        CYS  27  -4.968  -6.221   2.859
  183    HA   CYS  27           HA       CYS  27  -3.998  -6.340   0.136
  184   1HB   CYS  27          1HB       CYS  27  -3.418  -4.435   1.585
  185   2HB   CYS  27          2HB       CYS  27  -2.584  -5.526   2.685
  186    H    ALA  28           H        ALA  28  -2.997  -7.735   3.262
  187    HA   ALA  28           HA       ALA  28  -1.016  -9.436   2.244
  188   1HB   ALA  28          1HB       ALA  28  -2.719  -9.827   4.704
  189   2HB   ALA  28          2HB       ALA  28  -1.229  -8.886   4.621
  190   3HB   ALA  28          3HB       ALA  28  -1.186 -10.630   4.360
  191    H    ASN  29           H        ASN  29  -4.460  -9.678   2.225
  192    HA   ASN  29           HA       ASN  29  -4.578 -12.513   1.802
  193   1HB   ASN  29          1HB       ASN  29  -6.471 -11.337   2.799
  194   2HB   ASN  29          2HB       ASN  29  -6.649 -10.355   1.349
  195   2HD2  ASN  29          2HD2      ASN  29  -7.494 -11.277  -0.516
  196   1HD2  ASN  29          1HD2      ASN  29  -8.353 -12.775  -0.489
  197    H    LYS  30           H        LYS  30  -3.738  -9.886  -0.127
  198    HA   LYS  30           HA       LYS  30  -4.414 -11.337  -2.598
  199   1HB   LYS  30          1HB       LYS  30  -3.725  -8.419  -2.206
  200   2HB   LYS  30          2HB       LYS  30  -4.095  -9.175  -3.749
  201   1HG   LYS  30          1HG       LYS  30  -5.970  -8.910  -1.409
  202   2HG   LYS  30          2HG       LYS  30  -6.012  -7.961  -2.895
  203   1HD   LYS  30          1HD       LYS  30  -6.381 -10.951  -2.713
  204   2HD   LYS  30          2HD       LYS  30  -7.678  -9.770  -2.901
  205   1HE   LYS  30          1HE       LYS  30  -7.114 -10.768  -5.043
  206   2HE   LYS  30          2HE       LYS  30  -6.710  -9.053  -5.033
  207   1HZ   LYS  30          1HZ       LYS  30  -4.740 -11.209  -4.513
  208   2HZ   LYS  30          2HZ       LYS  30  -4.989 -10.515  -6.035
  209   3HZ   LYS  30          3HZ       LYS  30  -4.420  -9.566  -4.756
  210    H    GLY  31           H        GLY  31  -1.864 -10.509  -0.537
  211   1HA   GLY  31          1HA       GLY  31   0.062 -11.551  -2.468
  212   2HA   GLY  31          2HA       GLY  31   0.329 -11.335  -0.744
  213    H    CYS  32           H        CYS  32  -0.608  -8.594  -0.689
  214    HA   CYS  32           HA       CYS  32   1.634  -7.308  -2.105
  215   1HB   CYS  32          1HB       CYS  32  -1.093  -6.139  -1.511
  216   2HB   CYS  32          2HB       CYS  32   0.245  -5.270  -2.253
  217    H    CYS  33           H        CYS  33   2.372  -5.266  -1.068
  218    HA   CYS  33           HA       CYS  33   2.644  -5.625   1.787
  219   1HB   CYS  33          1HB       CYS  33   3.714  -3.473  -0.051
  220   2HB   CYS  33          2HB       CYS  33   4.129  -3.644   1.650
  221    H    PHE  34           H        PHE  34   2.098  -4.024   3.361
  222    HA   PHE  34           HA       PHE  34   0.009  -2.137   2.503
  223   1HB   PHE  34          1HB       PHE  34  -1.054  -4.073   3.570
  224   2HB   PHE  34          2HB       PHE  34  -0.039  -3.857   4.992
  225    HD1  PHE  34           HD1      PHE  34  -2.857  -2.510   3.074
  226    HD2  PHE  34           HD2      PHE  34  -0.504  -2.140   6.599
  227    HE1  PHE  34           HE1      PHE  34  -4.543  -0.999   4.035
  228    HE2  PHE  34           HE2      PHE  34  -2.187  -0.629   7.568
  229    HZ   PHE  34           HZ       PHE  34  -4.210  -0.056   6.285
  230    H    ASP  35           H        ASP  35   0.100  -0.130   3.362
  231    HA   ASP  35           HA       ASP  35   1.584   0.448   5.755
  232   1HB   ASP  35          1HB       ASP  35   3.427   0.309   4.151
  233   2HB   ASP  35          2HB       ASP  35   2.616   1.463   3.097
  234    H    ASP  36           H        ASP  36  -0.585   1.177   6.231
  235    HA   ASP  36           HA       ASP  36  -1.666   3.415   4.771
  236   1HB   ASP  36          1HB       ASP  36  -3.442   3.378   6.485
  237   2HB   ASP  36          2HB       ASP  36  -3.178   1.785   5.781
  238    H    THR  37           H        THR  37   0.847   4.097   5.568
  239    HA   THR  37           HA       THR  37   0.495   5.826   7.918
  240    HB   THR  37           HB       THR  37   2.948   6.052   7.922
  241    HG1  THR  37           HG1      THR  37   3.184   5.660   5.610
  242   1HG2  THR  37          1HG2      THR  37   1.922   4.253   9.223
  243   2HG2  THR  37          2HG2      THR  37   2.002   3.184   7.822
  244   3HG2  THR  37          3HG2      THR  37   3.489   3.752   8.584
  245    H    VAL  38           H        VAL  38   0.288   5.968   4.619
  246    HA   VAL  38           HA       VAL  38   0.628   8.865   4.638
  247    HB   VAL  38           HB       VAL  38   1.982   7.098   2.595
  248   1HG1  VAL  38          1HG1      VAL  38   1.086   9.129   1.593
  249   2HG1  VAL  38          2HG1      VAL  38   1.886  10.105   2.826
  250   3HG1  VAL  38          3HG1      VAL  38   2.847   9.193   1.663
  251   1HG2  VAL  38          1HG2      VAL  38   3.131   8.891   4.733
  252   2HG2  VAL  38          2HG2      VAL  38   3.194   7.128   4.696
  253   3HG2  VAL  38          3HG2      VAL  38   4.064   8.069   3.482
  254    H    ARG  39           H        ARG  39  -1.176   9.699   3.860
  255    HA   ARG  39           HA       ARG  39  -3.028   8.140   2.319
  256   1HB   ARG  39          1HB       ARG  39  -3.074  11.074   3.049
  257   2HB   ARG  39          2HB       ARG  39  -4.414  10.178   2.346
  258   1HG   ARG  39          1HG       ARG  39  -4.519   8.760   4.323
  259   2HG   ARG  39          2HG       ARG  39  -3.154   9.633   5.027
  260   1HD   ARG  39          1HD       ARG  39  -5.837  10.813   4.311
  261   2HD   ARG  39          2HD       ARG  39  -5.281  10.419   5.938
  262    HE   ARG  39           HE       ARG  39  -3.474  12.187   4.654
  263   1HH1  ARG  39          1HH1      ARG  39  -6.591  12.075   6.202
  264   2HH1  ARG  39          2HH1      ARG  39  -6.544  13.729   6.710
  265   1HH2  ARG  39          1HH2      ARG  39  -3.401  14.369   5.318
  266   2HH2  ARG  39          2HH2      ARG  39  -4.729  15.035   6.206
  267    H    GLY  40           H        GLY  40  -4.117   9.849   0.509
  268   1HA   GLY  40          1HA       GLY  40  -2.282  11.169  -1.180
  269   2HA   GLY  40          2HA       GLY  40  -3.894  10.640  -1.635
  270    H    VAL  41           H        VAL  41  -1.442   8.439  -0.460
  271    HA   VAL  41           HA       VAL  41  -1.115   7.395  -3.196
  272    HB   VAL  41           HB       VAL  41   0.980   6.386  -2.452
  273   1HG1  VAL  41          1HG1      VAL  41   0.791   9.323  -1.789
  274   2HG1  VAL  41          2HG1      VAL  41   2.280   8.443  -2.137
  275   3HG1  VAL  41          3HG1      VAL  41   1.052   8.629  -3.389
  276   1HG2  VAL  41          1HG2      VAL  41   0.393   5.996  -0.117
  277   2HG2  VAL  41          2HG2      VAL  41   1.907   6.891  -0.244
  278   3HG2  VAL  41          3HG2      VAL  41   0.418   7.733   0.188
  279    HA   PRO  42           HA       PRO  42  -2.959   3.543  -2.147
  280   1HB   PRO  42          1HB       PRO  42  -1.284   1.729  -3.298
  281   2HB   PRO  42          2HB       PRO  42  -2.396   2.743  -4.223
  282   1HG   PRO  42          1HG       PRO  42   0.532   3.110  -3.722
  283   2HG   PRO  42          2HG       PRO  42  -0.384   3.336  -5.224
  284   1HD   PRO  42          1HD       PRO  42   0.357   5.411  -3.662
  285   2HD   PRO  42          2HD       PRO  42  -1.159   5.416  -4.588
  286    H    TRP  43           H        TRP  43  -3.016   2.340  -0.352
  287    HA   TRP  43           HA       TRP  43  -0.755   2.306   1.419
  288   1HB   TRP  43          1HB       TRP  43  -3.456   0.966   1.673
  289   2HB   TRP  43          2HB       TRP  43  -2.261   1.108   2.959
  290    HD1  TRP  43           HD1      TRP  43  -1.771   4.302   1.708
  291    HE1  TRP  43           HE1      TRP  43  -3.360   6.074   2.687
  292    HE3  TRP  43           HE3      TRP  43  -5.384   1.208   3.584
  293    HZ2  TRP  43           HZ2      TRP  43  -5.818   6.151   4.072
  294    HZ3  TRP  43           HZ3      TRP  43  -7.322   2.211   4.722
  295    HH2  TRP  43           HH2      TRP  43  -7.532   4.632   4.961
  296    H    CYS  44           H        CYS  44  -2.378   0.006  -0.681
  297    HA   CYS  44           HA       CYS  44  -0.510  -2.093   0.171
  298   1HB   CYS  44          1HB       CYS  44  -2.910  -2.657   0.237
  299   2HB   CYS  44          2HB       CYS  44  -3.033  -2.312  -1.484
  300    H    PHE  45           H        PHE  45   1.320  -1.988  -0.974
  301    HA   PHE  45           HA       PHE  45   1.098  -1.779  -3.904
  302   1HB   PHE  45          1HB       PHE  45   3.295  -0.623  -3.888
  303   2HB   PHE  45          2HB       PHE  45   2.039   0.287  -3.054
  304    HD1  PHE  45           HD1      PHE  45   2.551   1.210  -1.018
  305    HD2  PHE  45           HD2      PHE  45   4.684  -2.236  -2.313
  306    HE1  PHE  45           HE1      PHE  45   3.974   1.343   0.985
  307    HE2  PHE  45           HE2      PHE  45   6.112  -2.109  -0.314
  308    HZ   PHE  45           HZ       PHE  45   5.757  -0.319   1.339
  309    H    TYR  46           H        TYR  46   3.662  -2.305  -4.632
  310    HA   TYR  46           HA       TYR  46   3.882  -5.132  -3.956
  311   1HB   TYR  46          1HB       TYR  46   5.295  -3.503  -6.079
  312   2HB   TYR  46          2HB       TYR  46   5.420  -5.247  -5.881
  313    HD1  TYR  46           HD1      TYR  46   3.561  -2.559  -7.347
  314    HD2  TYR  46           HD2      TYR  46   3.310  -6.639  -6.170
  315    HE1  TYR  46           HE1      TYR  46   1.609  -2.857  -8.814
  316    HE2  TYR  46           HE2      TYR  46   1.358  -6.948  -7.633
  317    HH   TYR  46           HH       TYR  46  -0.401  -5.590  -8.667
  318    HA   PRO  47           HA       PRO  47   7.519  -4.787  -1.495
  319   1HB   PRO  47          1HB       PRO  47   8.967  -6.945  -2.262
  320   2HB   PRO  47          2HB       PRO  47   7.483  -7.080  -1.310
  321   1HG   PRO  47          1HG       PRO  47   7.886  -7.451  -4.254
  322   2HG   PRO  47          2HG       PRO  47   6.927  -8.425  -3.124
  323   1HD   PRO  47          1HD       PRO  47   5.822  -6.574  -4.771
  324   2HD   PRO  47          2HD       PRO  47   5.150  -6.961  -3.174
  325    H    ASN  48           H        ASN  48  10.120  -5.618  -2.099
  326    HA   ASN  48           HA       ASN  48  11.038  -4.429  -4.537
  327   1HB   ASN  48          1HB       ASN  48  11.566  -2.965  -1.942
  328   2HB   ASN  48          2HB       ASN  48  12.322  -2.594  -3.488
  329   2HD2  ASN  48          2HD2      ASN  48   9.396  -2.478  -1.622
  330   1HD2  ASN  48          1HD2      ASN  48   8.542  -1.389  -2.655
  331    H    THR  49           H        THR  49  12.354  -6.109  -4.969
  332    HA   THR  49           HA       THR  49  13.842  -7.554  -3.066
  333    HB   THR  49           HB       THR  49  14.322  -7.288  -6.041
  334    HG1  THR  49           HG1      THR  49  12.291  -8.179  -5.583
  335   1HG2  THR  49          1HG2      THR  49  15.321  -9.354  -4.077
  336   2HG2  THR  49          2HG2      THR  49  15.538  -9.410  -5.827
  337   3HG2  THR  49          3HG2      THR  49  16.302  -8.130  -4.883
  338    H    ILE  50           H        ILE  50  15.259  -6.508  -1.790
  339    HA   ILE  50           HA       ILE  50  17.268  -4.786  -3.087
  340    HB   ILE  50           HB       ILE  50  16.341  -4.764  -0.212
  341   1HG1  ILE  50          1HG1      ILE  50  15.955  -2.765  -2.453
  342   2HG1  ILE  50          2HG1      ILE  50  14.706  -3.799  -1.766
  343   1HG2  ILE  50          1HG2      ILE  50  18.706  -4.234  -0.382
  344   2HG2  ILE  50          2HG2      ILE  50  18.362  -3.024  -1.619
  345   3HG2  ILE  50          3HG2      ILE  50  17.778  -2.792   0.028
  346   1HD1  ILE  50          1HD1      ILE  50  14.945  -2.660   0.378
  347   2HD1  ILE  50          2HD1      ILE  50  16.196  -1.626  -0.312
  348   3HD1  ILE  50          3HD1      ILE  50  14.541  -1.534  -0.918
  349    H    ASP  51           H        ASP  51  19.444  -4.854  -2.191
  350    HA   ASP  51           HA       ASP  51  20.214  -7.588  -1.555
  351   1HB   ASP  51          1HB       ASP  51  21.904  -5.161  -2.199
  352   2HB   ASP  51          2HB       ASP  51  22.516  -6.799  -1.984
  353    H    VAL  52           H        VAL  52  22.110  -7.808   0.025
  354    HA   VAL  52           HA       VAL  52  21.604  -6.119   2.388
  355    HB   VAL  52           HB       VAL  52  22.064  -8.051   3.812
  356   1HG1  VAL  52          1HG1      VAL  52  19.926  -8.589   1.752
  357   2HG1  VAL  52          2HG1      VAL  52  20.021  -9.329   3.350
  358   3HG1  VAL  52          3HG1      VAL  52  19.756  -7.591   3.197
  359   1HG2  VAL  52          1HG2      VAL  52  23.566  -9.270   2.334
  360   2HG2  VAL  52          2HG2      VAL  52  22.233 -10.303   2.851
  361   3HG2  VAL  52          3HG2      VAL  52  22.231  -9.606   1.231
  362    HA   PRO  53           HA       PRO  53  26.232  -6.611   1.159
  363   1HB   PRO  53          1HB       PRO  53  26.040  -4.033  -0.221
  364   2HB   PRO  53          2HB       PRO  53  26.713  -5.560  -0.796
  365   1HG   PRO  53          1HG       PRO  53  24.413  -4.540  -1.772
  366   2HG   PRO  53          2HG       PRO  53  24.698  -6.285  -1.637
  367   1HD   PRO  53          1HD       PRO  53  23.104  -4.480   0.147
  368   2HD   PRO  53          2HD       PRO  53  22.733  -6.123  -0.418
  369    HA   PRO  54           HA       PRO  54  27.526  -3.736   4.245
  370   1HB   PRO  54          1HB       PRO  54  29.874  -2.735   3.342
  371   2HB   PRO  54          2HB       PRO  54  29.697  -4.408   3.883
  372   1HG   PRO  54          1HG       PRO  54  29.705  -3.309   1.098
  373   2HG   PRO  54          2HG       PRO  54  30.505  -4.759   1.730
  374   1HD   PRO  54          1HD       PRO  54  28.168  -4.852   0.354
  375   2HD   PRO  54          2HD       PRO  54  28.580  -6.019   1.627
  376    H    GLU  55           H        GLU  55  26.811  -1.782   4.802
  377    HA   GLU  55           HA       GLU  55  26.643   0.295   2.720
  378   1HB   GLU  55          1HB       GLU  55  24.984  -0.038   5.228
  379   2HB   GLU  55          2HB       GLU  55  24.818   1.272   4.068
  380   1HG   GLU  55          1HG       GLU  55  24.193  -0.335   2.339
  381   2HG   GLU  55          2HG       GLU  55  24.360  -1.648   3.501
  382    H    GLU  56           H        GLU  56  28.075  -0.568   5.688
  383    HA   GLU  56           HA       GLU  56  29.117   2.170   5.985
  384   1HB   GLU  56          1HB       GLU  56  27.535   1.717   7.792
  385   2HB   GLU  56          2HB       GLU  56  28.403   0.245   8.205
  386   1HG   GLU  56          1HG       GLU  56  28.942   2.030   9.749
  387   2HG   GLU  56          2HG       GLU  56  30.362   1.560   8.814
  388    H    GLU  57           H        GLU  57  30.705   1.023   4.475
  389    HA   GLU  57           HA       GLU  57  32.916   0.057   6.116
  390   1HB   GLU  57          1HB       GLU  57  33.409  -1.774   4.547
  391   2HB   GLU  57          2HB       GLU  57  31.848  -1.984   5.329
  392   1HG   GLU  57          1HG       GLU  57  31.729  -2.562   2.980
  393   2HG   GLU  57          2HG       GLU  57  30.725  -1.156   3.333
  394    H    CYS  58           H        CYS  58  31.790   2.146   3.875
  395    HA   CYS  58           HA       CYS  58  33.962   2.240   2.028
  396   1HB   CYS  58          1HB       CYS  58  31.896   4.338   2.722
  397   2HB   CYS  58          2HB       CYS  58  32.996   4.413   1.349
  398    H    GLU  59           H        GLU  59  34.503   2.378   4.994
  399    HA   GLU  59           HA       GLU  59  36.307   4.691   4.864
  400   1HB   GLU  59          1HB       GLU  59  34.394   5.357   6.234
  401   2HB   GLU  59          2HB       GLU  59  34.603   3.933   7.245
  402   1HG   GLU  59          1HG       GLU  59  35.482   5.912   8.333
  403   2HG   GLU  59          2HG       GLU  59  36.773   4.763   7.980
  404    H    PHE  60           H        PHE  60  36.855   1.939   4.351
  405    HA   PHE  60           HA       PHE  60  38.754   1.420   6.535
  406   1HB   PHE  60          1HB       PHE  60  37.127  -0.662   5.061
  407   2HB   PHE  60          2HB       PHE  60  38.394  -1.006   6.234
  408    HD1  PHE  60           HD1      PHE  60  38.053  -0.522   8.608
  409    HD2  PHE  60           HD2      PHE  60  34.952   0.051   5.749
  410    HE1  PHE  60           HE1      PHE  60  36.398  -0.426  10.426
  411    HE2  PHE  60           HE2      PHE  60  33.292   0.148   7.562
  412    HZ   PHE  60           HZ       PHE  60  34.015  -0.090   9.905
  413    H1   GLU   1           H1       GLU   1  15.023  15.928   1.385
  414    H2   GLU   1           H2       GLU   1  13.821  14.772   1.107
  415    H3   GLU   1           H3       GLU   1  13.679  15.840   2.409
  416    HA   GLU   1           HA       GLU   1  14.345  13.675   3.182
  417   1HB   GLU   1          1HB       GLU   1  16.743  14.114   1.392
  418   2HB   GLU   1          2HB       GLU   1  16.552  12.785   2.527
  419   1HG   GLU   1          1HG       GLU   1  14.815  13.320   0.129
  420   2HG   GLU   1          2HG       GLU   1  16.072  12.090   0.249
  421    H    ALA   2           H        ALA   2  17.538  14.121   3.243
  422    HA   ALA   2           HA       ALA   2  17.393  15.964   5.538
  423   1HB   ALA   2          1HB       ALA   2  19.248  14.754   6.514
  424   2HB   ALA   2          2HB       ALA   2  19.366  13.732   5.083
  425   3HB   ALA   2          3HB       ALA   2  17.946  13.633   6.122
  426    H    GLN   3           H        GLN   3  18.460  17.829   5.352
  427    HA   GLN   3           HA       GLN   3  20.972  18.020   4.005
  428   1HB   GLN   3          1HB       GLN   3  18.531  19.316   2.799
  429   2HB   GLN   3          2HB       GLN   3  20.173  19.826   2.431
  430   1HG   GLN   3          1HG       GLN   3  20.660  17.546   1.625
  431   2HG   GLN   3          2HG       GLN   3  18.973  17.117   1.908
  432   2HE2  GLN   3          2HE2      GLN   3  20.630  17.248  -0.553
  433   1HE2  GLN   3          1HE2      GLN   3  19.740  18.251  -1.642
  434    H    THR   4           H        THR   4  21.753  20.307   3.988
  435    HA   THR   4           HA       THR   4  21.613  21.306   6.621
  436    HB   THR   4           HB       THR   4  23.251  22.881   5.947
  437    HG1  THR   4           HG1      THR   4  21.923  23.442   3.959
  438   1HG2  THR   4          1HG2      THR   4  23.406  20.292   4.420
  439   2HG2  THR   4          2HG2      THR   4  24.742  21.450   4.442
  440   3HG2  THR   4          3HG2      THR   4  24.186  20.713   5.946
  441    H    GLU   5           H        GLU   5  21.741  24.101   6.211
  442    HA   GLU   5           HA       GLU   5  19.186  24.771   6.885
  443   1HB   GLU   5          1HB       GLU   5  21.195  26.566   5.512
  444   2HB   GLU   5          2HB       GLU   5  19.787  27.116   6.410
  445   1HG   GLU   5          1HG       GLU   5  20.696  26.122   8.446
  446   2HG   GLU   5          2HG       GLU   5  22.109  25.575   7.545
  447    H    THR   6           H        THR   6  17.322  24.863   5.857
  448    HA   THR   6           HA       THR   6  17.188  25.821   3.117
  449    HB   THR   6           HB       THR   6  16.108  23.100   3.877
  450    HG1  THR   6           HG1      THR   6  17.850  22.353   2.931
  451   1HG2  THR   6          1HG2      THR   6  15.908  24.626   1.278
  452   2HG2  THR   6          2HG2      THR   6  15.370  22.967   1.541
  453   3HG2  THR   6          3HG2      THR   6  14.580  24.296   2.390
  454    H    CYS   7           H        CYS   7  14.759  25.799   2.415
  455    HA   CYS   7           HA       CYS   7  13.255  26.950   4.651
  456   1HB   CYS   7          1HB       CYS   7  12.785  27.166   1.669
  457   2HB   CYS   7          2HB       CYS   7  11.848  27.986   2.912
  458    H    THR   8           H        THR   8  13.552  24.028   3.311
  459    HA   THR   8           HA       THR   8  10.707  23.392   3.151
  460    HB   THR   8           HB       THR   8  12.130  22.439   1.418
  461    HG1  THR   8           HG1      THR   8  10.353  21.176   2.674
  462   1HG2  THR   8          1HG2      THR   8  14.226  22.322   2.674
  463   2HG2  THR   8          2HG2      THR   8  13.559  21.038   3.681
  464   3HG2  THR   8          3HG2      THR   8  13.831  20.759   1.960
  465    H    VAL   9           H        VAL   9  10.546  23.920   5.512
  466    HA   VAL   9           HA       VAL   9  11.434  21.672   7.194
  467    HB   VAL   9           HB       VAL   9  10.567  24.438   8.049
  468   1HG1  VAL   9          1HG1      VAL   9  11.666  22.130   9.649
  469   2HG1  VAL   9          2HG1      VAL   9  11.382  23.756  10.267
  470   3HG1  VAL   9          3HG1      VAL   9  10.025  22.770   9.725
  471   1HG2  VAL   9          1HG2      VAL   9  12.720  24.469   6.911
  472   2HG2  VAL   9          2HG2      VAL   9  12.922  24.769   8.637
  473   3HG2  VAL   9          3HG2      VAL   9  13.309  23.184   7.966
  474    H    ALA  10           H        ALA  10   9.889  21.318   9.121
  475    HA   ALA  10           HA       ALA  10   7.262  20.772   8.020
  476   1HB   ALA  10          1HB       ALA  10   8.392  19.030   9.291
  477   2HB   ALA  10          2HB       ALA  10   8.448  20.080  10.707
  478   3HB   ALA  10          3HB       ALA  10   6.896  19.512  10.092
  479    HA   PRO  11           HA       PRO  11   5.228  24.482   9.295
  480   1HB   PRO  11          1HB       PRO  11   3.157  22.453  10.059
  481   2HB   PRO  11          2HB       PRO  11   2.960  23.986   9.201
  482   1HG   PRO  11          1HG       PRO  11   3.001  21.659   7.883
  483   2HG   PRO  11          2HG       PRO  11   3.729  23.123   7.200
  484   1HD   PRO  11          1HD       PRO  11   5.033  20.702   8.279
  485   2HD   PRO  11          2HD       PRO  11   5.653  21.903   7.129
  486    H    ARG  12           H        ARG  12   5.288  21.621  11.376
  487    HA   ARG  12           HA       ARG  12   4.866  23.247  13.752
  488   1HB   ARG  12          1HB       ARG  12   4.873  21.122  14.968
  489   2HB   ARG  12          2HB       ARG  12   3.743  21.080  13.623
  490   1HG   ARG  12          1HG       ARG  12   6.502  19.872  13.630
  491   2HG   ARG  12          2HG       ARG  12   4.988  18.991  13.841
  492   1HD   ARG  12          1HD       ARG  12   4.271  19.740  11.607
  493   2HD   ARG  12          2HD       ARG  12   5.819  20.557  11.401
  494    HE   ARG  12           HE       ARG  12   6.488  17.977  11.973
  495   1HH1  ARG  12          1HH1      ARG  12   4.480  19.521   9.583
  496   2HH1  ARG  12          2HH1      ARG  12   4.753  18.305   8.380
  497   1HH2  ARG  12          1HH2      ARG  12   6.855  16.370  10.397
  498   2HH2  ARG  12          2HH2      ARG  12   6.104  16.513   8.843
  499    H    GLU  13           H        GLU  13   7.437  21.638  12.041
  500    HA   GLU  13           HA       GLU  13   9.302  22.072  14.249
  501   1HB   GLU  13          1HB       GLU  13   9.696  20.677  11.597
  502   2HB   GLU  13          2HB       GLU  13  10.888  20.766  12.886
  503   1HG   GLU  13          1HG       GLU  13   8.198  19.425  13.057
  504   2HG   GLU  13          2HG       GLU  13   9.753  18.616  12.864
  505    H    ARG  14           H        ARG  14   8.172  23.770  11.636
  506    HA   ARG  14           HA       ARG  14  10.511  24.913  10.561
  507   1HB   ARG  14          1HB       ARG  14   7.721  26.058  10.783
  508   2HB   ARG  14          2HB       ARG  14   9.010  26.748   9.807
  509   1HG   ARG  14          1HG       ARG  14   9.088  24.710   8.464
  510   2HG   ARG  14          2HG       ARG  14   7.797  24.015   9.445
  511   1HD   ARG  14          1HD       ARG  14   6.303  25.830   8.752
  512   2HD   ARG  14          2HD       ARG  14   7.595  26.513   7.764
  513    HE   ARG  14           HE       ARG  14   7.161  23.837   7.012
  514   1HH1  ARG  14          1HH1      ARG  14   5.640  26.964   6.846
  515   2HH1  ARG  14          2HH1      ARG  14   4.771  26.609   5.390
  516   1HH2  ARG  14          1HH2      ARG  14   6.022  23.357   5.095
  517   2HH2  ARG  14          2HH2      ARG  14   4.988  24.557   4.394
  518    H    GLN  15           H        GLN  15  11.803  26.539  11.215
  519    HA   GLN  15           HA       GLN  15  11.576  27.396  13.950
  520   1HB   GLN  15          1HB       GLN  15  13.755  26.815  12.941
  521   2HB   GLN  15          2HB       GLN  15  13.595  28.174  11.837
  522   1HG   GLN  15          1HG       GLN  15  15.062  28.804  13.604
  523   2HG   GLN  15          2HG       GLN  15  13.551  29.693  13.794
  524   2HE2  GLN  15          2HE2      GLN  15  12.191  27.268  14.811
  525   1HE2  GLN  15          1HE2      GLN  15  12.722  27.097  16.443
  526    H    ASN  16           H        ASN  16   9.576  28.583  13.751
  527    HA   ASN  16           HA       ASN  16   8.817  30.620  12.208
  528   1HB   ASN  16          1HB       ASN  16   7.650  29.884  14.282
  529   2HB   ASN  16          2HB       ASN  16   8.817  30.797  15.230
  530   2HD2  ASN  16          2HD2      ASN  16   8.943  32.956  13.270
  531   1HD2  ASN  16          1HD2      ASN  16   7.480  33.854  13.454
  532    H    CYS  17           H        CYS  17   9.318  32.737  11.784
  533    HA   CYS  17           HA       CYS  17  11.705  33.831  13.118
  534   1HB   CYS  17          1HB       CYS  17  12.379  33.052  10.920
  535   2HB   CYS  17          2HB       CYS  17  11.044  33.917  10.168
  536    H    GLY  18           H        GLY  18   8.524  34.173  12.700
  537   1HA   GLY  18          1HA       GLY  18   8.118  36.851  11.977
  538   2HA   GLY  18          2HA       GLY  18   8.406  36.791  13.710
  539    H    PHE  19           H        PHE  19   6.006  37.197  11.751
  540    HA   PHE  19           HA       PHE  19   4.140  35.582  13.347
  541   1HB   PHE  19          1HB       PHE  19   2.429  37.252  12.711
  542   2HB   PHE  19          2HB       PHE  19   3.781  37.972  13.577
  543    HD1  PHE  19           HD1      PHE  19   1.767  38.084  10.648
  544    HD2  PHE  19           HD2      PHE  19   5.600  39.105  12.188
  545    HE1  PHE  19           HE1      PHE  19   2.063  39.707   8.823
  546    HE2  PHE  19           HE2      PHE  19   5.904  40.730  10.365
  547    HZ   PHE  19           HZ       PHE  19   4.133  41.033   8.680
  548    HA   PRO  20           HA       PRO  20   2.665  33.312   9.888
  549   1HB   PRO  20          1HB       PRO  20  -0.045  33.444  10.121
  550   2HB   PRO  20          2HB       PRO  20   0.971  32.468  11.187
  551   1HG   PRO  20          1HG       PRO  20  -0.208  35.179  11.655
  552   2HG   PRO  20          2HG       PRO  20  -0.104  33.798  12.762
  553   1HD   PRO  20          1HD       PRO  20   1.604  35.887  12.894
  554   2HD   PRO  20          2HD       PRO  20   2.101  34.230  13.295
  555    H    GLY  21           H        GLY  21   1.905  36.625  10.163
  556   1HA   GLY  21          1HA       GLY  21   0.736  38.045   8.653
  557   2HA   GLY  21          2HA       GLY  21   0.699  36.729   7.490
  558    H    VAL  22           H        VAL  22   3.684  37.306   9.093
  559    HA   VAL  22           HA       VAL  22   5.035  39.264   7.984
  560    HB   VAL  22           HB       VAL  22   7.029  37.861   7.721
  561   1HG1  VAL  22          1HG1      VAL  22   5.353  37.142  10.124
  562   2HG1  VAL  22          2HG1      VAL  22   7.101  36.948  10.001
  563   3HG1  VAL  22          3HG1      VAL  22   6.387  38.560   9.958
  564   1HG2  VAL  22          1HG2      VAL  22   5.102  35.565   8.063
  565   2HG2  VAL  22          2HG2      VAL  22   6.064  35.937   6.631
  566   3HG2  VAL  22          3HG2      VAL  22   6.859  35.423   8.120
  567    H    THR  23           H        THR  23   5.813  39.991   6.056
  568    HA   THR  23           HA       THR  23   4.868  38.565   3.659
  569    HB   THR  23           HB       THR  23   4.958  40.734   2.497
  570    HG1  THR  23           HG1      THR  23   5.676  41.726   5.074
  571   1HG2  THR  23          1HG2      THR  23   3.364  40.802   5.063
  572   2HG2  THR  23          2HG2      THR  23   3.060  41.796   3.638
  573   3HG2  THR  23          3HG2      THR  23   2.864  40.046   3.551
  574    HA   PRO  24           HA       PRO  24   8.770  38.065   1.699
  575   1HB   PRO  24          1HB       PRO  24   8.276  40.355  -0.143
  576   2HB   PRO  24          2HB       PRO  24   8.716  38.684  -0.516
  577   1HG   PRO  24          1HG       PRO  24   6.225  39.545  -0.890
  578   2HG   PRO  24          2HG       PRO  24   6.541  37.915  -0.266
  579   1HD   PRO  24          1HD       PRO  24   5.614  40.355   1.182
  580   2HD   PRO  24          2HD       PRO  24   5.175  38.654   1.438
  581    H    SER  25           H        SER  25   8.094  41.569   1.812
  582    HA   SER  25           HA       SER  25  10.820  42.310   2.072
  583   1HB   SER  25          1HB       SER  25   9.152  43.866   1.187
  584   2HB   SER  25          2HB       SER  25   8.309  43.868   2.736
  585    HG   SER  25           HG       SER  25  11.021  44.635   2.474
  586    H    GLN  26           H        GLN  26   8.201  41.833   4.397
  587    HA   GLN  26           HA       GLN  26   9.594  42.777   6.663
  588   1HB   GLN  26          1HB       GLN  26   7.330  40.781   6.493
  589   2HB   GLN  26          2HB       GLN  26   7.870  41.578   7.963
  590   1HG   GLN  26          1HG       GLN  26   7.256  43.743   7.016
  591   2HG   GLN  26          2HG       GLN  26   6.714  42.942   5.541
  592   2HE2  GLN  26          2HE2      GLN  26   6.046  43.534   8.900
  593   1HE2  GLN  26          1HE2      GLN  26   4.411  42.979   8.884
  594    H    CYS  27           H        CYS  27   9.290  39.568   5.215
  595    HA   CYS  27           HA       CYS  27  10.705  38.239   7.314
  596   1HB   CYS  27          1HB       CYS  27   9.070  37.079   5.868
  597   2HB   CYS  27          2HB       CYS  27  10.140  37.311   4.490
  598    H    ALA  28           H        ALA  28  11.554  39.447   4.101
  599    HA   ALA  28           HA       ALA  28  14.216  38.467   4.111
  600   1HB   ALA  28          1HB       ALA  28  13.042  40.759   2.540
  601   2HB   ALA  28          2HB       ALA  28  13.038  39.065   2.049
  602   3HB   ALA  28          3HB       ALA  28  14.564  39.935   2.200
  603    H    ASN  29           H        ASN  29  12.708  41.422   5.248
  604    HA   ASN  29           HA       ASN  29  14.866  43.098   5.567
  605   1HB   ASN  29          1HB       ASN  29  12.565  43.767   6.081
  606   2HB   ASN  29          2HB       ASN  29  12.557  42.701   7.483
  607   2HD2  ASN  29          2HD2      ASN  29  12.146  44.382   8.898
  608   1HD2  ASN  29          1HD2      ASN  29  13.343  45.557   9.312
  609    H    LYS  30           H        LYS  30  13.928  40.329   7.508
  610    HA   LYS  30           HA       LYS  30  16.186  40.753   9.313
  611   1HB   LYS  30          1HB       LYS  30  14.040  40.142  10.319
  612   2HB   LYS  30          2HB       LYS  30  13.987  38.678   9.350
  613   1HG   LYS  30          1HG       LYS  30  14.655  38.119  11.581
  614   2HG   LYS  30          2HG       LYS  30  16.030  37.891  10.500
  615   1HD   LYS  30          1HD       LYS  30  15.587  40.369  12.158
  616   2HD   LYS  30          2HD       LYS  30  16.581  39.006  12.673
  617   1HE   LYS  30          1HE       LYS  30  17.023  40.665  10.194
  618   2HE   LYS  30          2HE       LYS  30  17.925  40.811  11.699
  619   1HZ   LYS  30          1HZ       LYS  30  17.810  38.347  10.050
  620   2HZ   LYS  30          2HZ       LYS  30  19.071  39.475   9.998
  621   3HZ   LYS  30          3HZ       LYS  30  18.772  38.605  11.417
  622    H    GLY  31           H        GLY  31  14.981  38.509   6.879
  623   1HA   GLY  31          1HA       GLY  31  17.703  37.397   6.693
  624   2HA   GLY  31          2HA       GLY  31  16.551  37.478   5.369
  625    H    CYS  32           H        CYS  32  14.336  36.335   6.172
  626    HA   CYS  32           HA       CYS  32  15.182  33.621   6.933
  627   1HB   CYS  32          1HB       CYS  32  12.681  35.057   7.843
  628   2HB   CYS  32          2HB       CYS  32  12.994  33.345   8.098
  629    H    CYS  33           H        CYS  33  13.232  32.058   6.439
  630    HA   CYS  33           HA       CYS  33  12.738  32.293   3.611
  631   1HB   CYS  33          1HB       CYS  33  11.893  30.181   5.604
  632   2HB   CYS  33          2HB       CYS  33  11.681  30.065   3.861
  633    H    PHE  34           H        PHE  34  10.642  32.152   2.627
  634    HA   PHE  34           HA       PHE  34   8.431  33.065   4.342
  635   1HB   PHE  34          1HB       PHE  34   9.297  34.979   3.073
  636   2HB   PHE  34          2HB       PHE  34   9.083  34.088   1.570
  637    HD1  PHE  34           HD1      PHE  34   7.490  36.092   4.113
  638    HD2  PHE  34           HD2      PHE  34   6.797  33.541   0.779
  639    HE1  PHE  34           HE1      PHE  34   5.192  36.953   3.936
  640    HE2  PHE  34           HE2      PHE  34   4.499  34.397   0.595
  641    HZ   PHE  34           HZ       PHE  34   3.693  36.106   2.176
  642    H    ASP  35           H        ASP  35   6.910  31.553   4.342
  643    HA   ASP  35           HA       ASP  35   6.188  30.281   1.797
  644   1HB   ASP  35          1HB       ASP  35   7.591  28.685   3.012
  645   2HB   ASP  35          2HB       ASP  35   6.555  28.835   4.429
  646    H    ASP  36           H        ASP  36   4.320  31.465   1.585
  647    HA   ASP  36           HA       ASP  36   2.400  31.496   3.778
  648   1HB   ASP  36          1HB       ASP  36   1.101  33.011   2.330
  649   2HB   ASP  36          2HB       ASP  36   2.753  33.580   2.551
  650    H    THR  37           H        THR  37   3.131  29.056   2.162
  651    HA   THR  37           HA       THR  37   0.569  28.444   0.887
  652    HB   THR  37           HB       THR  37   1.670  26.398   0.069
  653    HG1  THR  37           HG1      THR  37   3.814  27.395   1.638
  654   1HG2  THR  37          1HG2      THR  37   3.272  28.910  -0.428
  655   2HG2  THR  37          2HG2      THR  37   3.271  27.472  -1.448
  656   3HG2  THR  37          3HG2      THR  37   1.802  28.432  -1.278
  657    H    VAL  38           H        VAL  38   2.037  28.141   3.871
  658    HA   VAL  38           HA       VAL  38   0.306  25.861   4.580
  659    HB   VAL  38           HB       VAL  38   2.961  26.581   5.830
  660   1HG1  VAL  38          1HG1      VAL  38   1.075  24.298   6.403
  661   2HG1  VAL  38          2HG1      VAL  38   2.679  24.507   7.106
  662   3HG1  VAL  38          3HG1      VAL  38   1.402  25.671   7.460
  663   1HG2  VAL  38          1HG2      VAL  38   2.182  24.249   4.081
  664   2HG2  VAL  38          2HG2      VAL  38   3.234  25.588   3.626
  665   3HG2  VAL  38          3HG2      VAL  38   3.740  24.457   4.881
  666    H    ARG  39           H        ARG  39  -1.414  26.740   5.557
  667    HA   ARG  39           HA       ARG  39  -1.236  29.130   7.138
  668   1HB   ARG  39          1HB       ARG  39  -3.527  27.191   6.772
  669   2HB   ARG  39          2HB       ARG  39  -3.641  28.765   7.548
  670   1HG   ARG  39          1HG       ARG  39  -3.012  29.843   5.442
  671   2HG   ARG  39          2HG       ARG  39  -2.920  28.260   4.668
  672   1HD   ARG  39          1HD       ARG  39  -5.291  27.892   5.150
  673   2HD   ARG  39          2HD       ARG  39  -5.381  29.473   5.923
  674    HE   ARG  39           HE       ARG  39  -4.430  29.623   3.232
  675   1HH1  ARG  39          1HH1      ARG  39  -7.288  29.374   5.204
  676   2HH1  ARG  39          2HH1      ARG  39  -8.326  30.100   4.022
  677   1HH2  ARG  39          1HH2      ARG  39  -5.785  30.579   1.667
  678   2HH2  ARG  39          2HH2      ARG  39  -7.471  30.784   2.009
  679    H    GLY  40           H        GLY  40  -2.654  28.918   9.326
  680   1HA   GLY  40          1HA       GLY  40  -2.180  26.585  10.893
  681   2HA   GLY  40          2HA       GLY  40  -2.725  28.145  11.494
  682    H    VAL  41           H        VAL  41   0.263  27.308   9.775
  683    HA   VAL  41           HA       VAL  41   1.784  27.999  12.195
  684    HB   VAL  41           HB       VAL  41   3.682  26.847  11.174
  685   1HG1  VAL  41          1HG1      VAL  41   1.158  25.196  11.158
  686   2HG1  VAL  41          2HG1      VAL  41   2.800  24.560  11.256
  687   3HG1  VAL  41          3HG1      VAL  41   2.161  25.556  12.563
  688   1HG2  VAL  41          1HG2      VAL  41   3.198  27.312   8.834
  689   2HG2  VAL  41          2HG2      VAL  41   3.407  25.580   9.093
  690   3HG2  VAL  41          3HG2      VAL  41   1.789  26.254   8.901
  691    HA   PRO  42           HA       PRO  42   3.601  31.586  10.407
  692   1HB   PRO  42          1HB       PRO  42   6.263  31.316  10.876
  693   2HB   PRO  42          2HB       PRO  42   5.093  31.668  12.153
  694   1HG   PRO  42          1HG       PRO  42   6.333  29.052  11.387
  695   2HG   PRO  42          2HG       PRO  42   6.051  29.726  13.003
  696   1HD   PRO  42          1HD       PRO  42   4.428  27.861  11.902
  697   2HD   PRO  42          2HD       PRO  42   3.827  29.113  13.008
  698    H    TRP  43           H        TRP  43   4.486  32.401   8.532
  699    HA   TRP  43           HA       TRP  43   5.179  30.426   6.504
  700   1HB   TRP  43          1HB       TRP  43   4.657  33.398   6.268
  701   2HB   TRP  43          2HB       TRP  43   4.954  32.310   4.915
  702    HD1  TRP  43           HD1      TRP  43   3.015  29.983   6.403
  703    HE1  TRP  43           HE1      TRP  43   0.479  30.253   6.058
  704    HE3  TRP  43           HE3      TRP  43   2.901  34.911   5.044
  705    HZ2  TRP  43           HZ2      TRP  43  -1.331  32.287   5.308
  706    HZ3  TRP  43           HZ3      TRP  43   0.727  35.942   4.529
  707    HH2  TRP  43           HH2      TRP  43  -1.344  34.655   4.658
  708    H    CYS  44           H        CYS  44   6.567  33.217   8.149
  709    HA   CYS  44           HA       CYS  44   9.090  32.860   6.721
  710   1HB   CYS  44          1HB       CYS  44   8.257  35.149   6.994
  711   2HB   CYS  44          2HB       CYS  44   8.255  34.950   8.743
  712    H    PHE  45           H        PHE  45  10.651  31.637   7.523
  713    HA   PHE  45           HA       PHE  45  11.101  31.495  10.386
  714   1HB   PHE  45          1HB       PHE  45  11.085  29.019  10.407
  715   2HB   PHE  45          2HB       PHE  45   9.497  29.697  10.065
  716    HD1  PHE  45           HD1      PHE  45  12.237  27.691   8.805
  717    HD2  PHE  45           HD2      PHE  45   8.572  29.599   7.788
  718    HE1  PHE  45           HE1      PHE  45  12.102  26.332   6.758
  719    HE2  PHE  45           HE2      PHE  45   8.431  28.244   5.739
  720    HZ   PHE  45           HZ       PHE  45  10.196  26.608   5.223
  721    H    TYR  46           H        TYR  46  13.070  30.078  10.846
  722    HA   TYR  46           HA       TYR  46  15.159  30.883   9.018
  723   1HB   TYR  46          1HB       TYR  46  15.312  29.377  11.637
  724   2HB   TYR  46          2HB       TYR  46  16.689  30.011  10.742
  725    HD1  TYR  46           HD1      TYR  46  13.908  30.820  12.950
  726    HD2  TYR  46           HD2      TYR  46  17.082  32.435  10.622
  727    HE1  TYR  46           HE1      TYR  46  13.684  32.959  14.141
  728    HE2  TYR  46           HE2      TYR  46  16.868  34.579  11.808
  729    HH   TYR  46           HH       TYR  46  15.038  34.933  14.651
  730    HA   PRO  47           HA       PRO  47  15.682  27.067   6.895
  731   1HB   PRO  47          1HB       PRO  47  18.369  26.996   6.528
  732   2HB   PRO  47          2HB       PRO  47  17.312  28.109   5.653
  733   1HG   PRO  47          1HG       PRO  47  19.012  28.613   8.064
  734   2HG   PRO  47          2HG       PRO  47  18.779  29.627   6.628
  735   1HD   PRO  47          1HD       PRO  47  17.501  30.097   8.972
  736   2HD   PRO  47          2HD       PRO  47  16.778  30.473   7.395
  737    H    ASN  48           H        ASN  48  16.670  24.928   6.997
  738    HA   ASN  48           HA       ASN  48  17.570  24.233   9.718
  739   1HB   ASN  48          1HB       ASN  48  16.438  22.068   9.443
  740   2HB   ASN  48          2HB       ASN  48  15.302  23.407   9.296
  741   2HD2  ASN  48          2HD2      ASN  48  14.448  23.915   7.269
  742   1HD2  ASN  48          1HD2      ASN  48  14.484  22.788   5.960
  743    H    THR  49           H        THR  49  19.350  22.978   9.924
  744    HA   THR  49           HA       THR  49  20.829  22.373   7.476
  745    HB   THR  49           HB       THR  49  22.764  22.002   8.962
  746    HG1  THR  49           HG1      THR  49  21.439  23.063  11.166
  747   1HG2  THR  49          1HG2      THR  49  21.313  24.602   9.475
  748   2HG2  THR  49          2HG2      THR  49  23.039  24.323   9.710
  749   3HG2  THR  49          3HG2      THR  49  22.345  24.248   8.091
  750    H    ILE  50           H        ILE  50  21.207  20.351   6.767
  751    HA   ILE  50           HA       ILE  50  21.059  18.067   8.497
  752    HB   ILE  50           HB       ILE  50  19.002  18.303   6.302
  753   1HG1  ILE  50          1HG1      ILE  50  18.575  18.317   9.296
  754   2HG1  ILE  50          2HG1      ILE  50  18.549  19.759   8.287
  755   1HG2  ILE  50          1HG2      ILE  50  19.809  16.030   6.678
  756   2HG2  ILE  50          2HG2      ILE  50  19.439  16.178   8.395
  757   3HG2  ILE  50          3HG2      ILE  50  18.136  16.207   7.207
  758   1HD1  ILE  50          1HD1      ILE  50  16.683  17.414   8.021
  759   2HD1  ILE  50          2HD1      ILE  50  16.306  18.949   8.804
  760   3HD1  ILE  50          3HD1      ILE  50  16.638  18.902   7.073
  761    H    ASP  51           H        ASP  51  21.530  16.037   7.342
  762    HA   ASP  51           HA       ASP  51  23.137  16.566   4.929
  763   1HB   ASP  51          1HB       ASP  51  23.632  14.537   7.119
  764   2HB   ASP  51          2HB       ASP  51  24.611  14.724   5.668
  765    H    VAL  52           H        VAL  52  23.140  15.042   3.271
  766    HA   VAL  52           HA       VAL  52  20.691  13.613   2.939
  767    HB   VAL  52           HB       VAL  52  21.587  12.924   0.773
  768   1HG1  VAL  52          1HG1      VAL  52  22.160  15.815   1.417
  769   2HG1  VAL  52          2HG1      VAL  52  21.923  15.151  -0.199
  770   3HG1  VAL  52          3HG1      VAL  52  20.596  15.137   0.962
  771   1HG2  VAL  52          1HG2      VAL  52  23.893  12.495   1.440
  772   2HG2  VAL  52          2HG2      VAL  52  23.834  13.605   0.072
  773   3HG2  VAL  52          3HG2      VAL  52  24.152  14.221   1.694
  774    HA   PRO  53           HA       PRO  53  22.317   9.907   4.895
  775   1HB   PRO  53          1HB       PRO  53  19.968   8.598   5.039
  776   2HB   PRO  53          2HB       PRO  53  20.363   9.935   6.126
  777   1HG   PRO  53          1HG       PRO  53  18.672   9.939   3.654
  778   2HG   PRO  53          2HG       PRO  53  18.371  10.722   5.216
  779   1HD   PRO  53          1HD       PRO  53  19.354  12.043   3.041
  780   2HD   PRO  53          2HD       PRO  53  19.709  12.518   4.714
  781    HA   PRO  54           HA       PRO  54  22.800   7.133   1.483
  782   1HB   PRO  54          1HB       PRO  54  23.124   4.771   2.755
  783   2HB   PRO  54          2HB       PRO  54  24.350   6.044   2.794
  784   1HG   PRO  54          1HG       PRO  54  22.293   5.333   4.850
  785   2HG   PRO  54          2HG       PRO  54  24.004   5.744   5.075
  786   1HD   PRO  54          1HD       PRO  54  21.989   7.523   5.482
  787   2HD   PRO  54          2HD       PRO  54  23.608   8.005   4.939
  788    H    GLU  55           H        GLU  55  21.616   5.826   0.152
  789    HA   GLU  55           HA       GLU  55  19.027   4.877   1.192
  790   1HB   GLU  55          1HB       GLU  55  19.712   5.789  -1.608
  791   2HB   GLU  55          2HB       GLU  55  18.149   5.168  -1.096
  792   1HG   GLU  55          1HG       GLU  55  17.902   7.049   0.441
  793   2HG   GLU  55          2HG       GLU  55  19.470   7.672  -0.072
  794    H    GLU  56           H        GLU  56  21.301   4.249  -1.487
  795    HA   GLU  56           HA       GLU  56  20.871   1.368  -1.037
  796   1HB   GLU  56          1HB       GLU  56  21.185   1.017  -3.450
  797   2HB   GLU  56          2HB       GLU  56  19.799   2.047  -3.119
  798   1HG   GLU  56          1HG       GLU  56  22.520   2.980  -4.007
  799   2HG   GLU  56          2HG       GLU  56  21.079   2.860  -5.017
  800    H    GLU  57           H        GLU  57  23.055   3.901  -1.046
  801    HA   GLU  57           HA       GLU  57  25.308   2.014  -1.095
  802   1HB   GLU  57          1HB       GLU  57  26.705   3.725  -2.178
  803   2HB   GLU  57          2HB       GLU  57  25.351   3.251  -3.194
  804   1HG   GLU  57          1HG       GLU  57  24.144   5.266  -2.530
  805   2HG   GLU  57          2HG       GLU  57  25.502   5.743  -1.512
  806    H    CYS  58           H        CYS  58  27.281   3.959  -0.520
  807    HA   CYS  58           HA       CYS  58  26.566   4.573   2.262
  808   1HB   CYS  58          1HB       CYS  58  28.996   4.602   2.687
  809   2HB   CYS  58          2HB       CYS  58  28.465   3.064   2.017
  810    H    GLU  59           H        GLU  59  28.365   5.922  -0.497
  811    HA   GLU  59           HA       GLU  59  27.346   8.551   0.022
  812   1HB   GLU  59          1HB       GLU  59  30.298   8.037   0.439
  813   2HB   GLU  59          2HB       GLU  59  29.541   9.624   0.383
  814   1HG   GLU  59          1HG       GLU  59  29.002   7.479   2.426
  815   2HG   GLU  59          2HG       GLU  59  29.978   8.927   2.669
  816    H    PHE  60           H        PHE  60  29.892   6.684  -1.602
  817    HA   PHE  60           HA       PHE  60  28.981   7.519  -4.181
  818   1HB   PHE  60          1HB       PHE  60  31.060   8.653  -4.878
  819   2HB   PHE  60          2HB       PHE  60  30.231   9.528  -3.596
  820    HD1  PHE  60           HD1      PHE  60  31.136   9.534  -1.314
  821    HD2  PHE  60           HD2      PHE  60  33.219   7.700  -4.541
  822    HE1  PHE  60           HE1      PHE  60  33.197   9.521   0.030
  823    HE2  PHE  60           HE2      PHE  60  35.283   7.683  -3.202
  824    HZ   PHE  60           HZ       PHE  60  35.274   8.594  -0.914

  No H/Q in entry =         824
  Start of MODEL    6
    1    H1   GLU   1           H1       GLU   1  20.723 -18.560   5.927
    2    H2   GLU   1           H2       GLU   1  21.749 -17.368   6.547
    3    H3   GLU   1           H3       GLU   1  20.672 -18.174   7.573
    4    HA   GLU   1           HA       GLU   1  18.795 -17.222   6.407
    5   1HB   GLU   1          1HB       GLU   1  20.827 -15.173   7.319
    6   2HB   GLU   1          2HB       GLU   1  19.099 -14.892   7.158
    7   1HG   GLU   1          1HG       GLU   1  19.715 -15.264   9.473
    8   2HG   GLU   1          2HG       GLU   1  18.655 -16.545   8.887
    9    H    ALA   2           H        ALA   2  18.083 -16.738   4.450
   10    HA   ALA   2           HA       ALA   2  19.554 -14.900   2.753
   11   1HB   ALA   2          1HB       ALA   2  18.925 -17.692   1.800
   12   2HB   ALA   2          2HB       ALA   2  20.532 -17.077   2.189
   13   3HB   ALA   2          3HB       ALA   2  19.630 -16.393   0.836
   14    H    GLN   3           H        GLN   3  16.986 -14.936   4.147
   15    HA   GLN   3           HA       GLN   3  15.313 -14.251   1.859
   16   1HB   GLN   3          1HB       GLN   3  14.396 -16.108   4.063
   17   2HB   GLN   3          2HB       GLN   3  13.368 -15.445   2.800
   18   1HG   GLN   3          1HG       GLN   3  14.681 -16.617   1.110
   19   2HG   GLN   3          2HG       GLN   3  15.717 -17.278   2.374
   20   2HE2  GLN   3          2HE2      GLN   3  12.582 -17.383   0.885
   21   1HE2  GLN   3          1HE2      GLN   3  12.060 -18.861   1.611
   22    H    THR   4           H        THR   4  14.762 -12.207   2.200
   23    HA   THR   4           HA       THR   4  13.723 -11.426   4.817
   24    HB   THR   4           HB       THR   4  15.039  -9.345   4.839
   25    HG1  THR   4           HG1      THR   4  16.834 -10.358   2.949
   26   1HG2  THR   4          1HG2      THR   4  15.852 -11.274   6.103
   27   2HG2  THR   4          2HG2      THR   4  16.736 -11.840   4.686
   28   3HG2  THR   4          3HG2      THR   4  17.198 -10.328   5.467
   29    H    GLU   5           H        GLU   5  11.993 -10.131   4.670
   30    HA   GLU   5           HA       GLU   5  11.325  -9.050   2.017
   31   1HB   GLU   5          1HB       GLU   5   9.507  -9.699   4.345
   32   2HB   GLU   5          2HB       GLU   5   8.985  -9.053   2.795
   33   1HG   GLU   5          1HG       GLU   5   9.785 -11.070   1.680
   34   2HG   GLU   5          2HG       GLU   5  10.317 -11.717   3.231
   35    H    THR   6           H        THR   6  11.346  -6.922   1.741
   36    HA   THR   6           HA       THR   6  11.158  -5.195   4.123
   37    HB   THR   6           HB       THR   6  12.840  -4.725   1.653
   38    HG1  THR   6           HG1      THR   6  14.537  -4.829   3.333
   39   1HG2  THR   6          1HG2      THR   6  11.921  -2.640   2.544
   40   2HG2  THR   6          2HG2      THR   6  12.522  -3.054   4.149
   41   3HG2  THR   6          3HG2      THR   6  13.657  -2.740   2.836
   42    H    CYS   7           H        CYS   7   9.716  -3.568   4.060
   43    HA   CYS   7           HA       CYS   7   8.270  -3.148   1.529
   44   1HB   CYS   7          1HB       CYS   7   7.295  -2.784   4.370
   45   2HB   CYS   7          2HB       CYS   7   6.354  -2.440   2.924
   46    H    THR   8           H        THR   8  10.737  -1.797   2.576
   47    HA   THR   8           HA       THR   8   9.976   0.865   3.296
   48    HB   THR   8           HB       THR   8  12.156  -0.029   3.965
   49    HG1  THR   8           HG1      THR   8  11.894   2.265   3.598
   50   1HG2  THR   8          1HG2      THR   8  12.579  -1.411   1.970
   51   2HG2  THR   8          2HG2      THR   8  12.838   0.055   1.024
   52   3HG2  THR   8          3HG2      THR   8  13.940  -0.352   2.339
   53    H    VAL   9           H        VAL   9   8.395   0.796   1.349
   54    HA   VAL   9           HA       VAL   9   9.705   1.581  -1.148
   55    HB   VAL   9           HB       VAL   9   6.775   1.083  -0.606
   56   1HG1  VAL   9          1HG1      VAL   9   8.273   1.451  -3.198
   57   2HG1  VAL   9          2HG1      VAL   9   6.570   1.020  -3.049
   58   3HG1  VAL   9          3HG1      VAL   9   7.135   2.590  -2.479
   59   1HG2  VAL   9          1HG2      VAL   9   8.847  -0.693  -1.891
   60   2HG2  VAL   9          2HG2      VAL   9   8.081  -0.948  -0.323
   61   3HG2  VAL   9          3HG2      VAL   9   7.119  -1.033  -1.798
   62    H    ALA  10           H        ALA  10   9.913   3.647  -1.699
   63    HA   ALA  10           HA       ALA  10   9.220   5.815  -0.147
   64   1HB   ALA  10          1HB       ALA  10  10.826   5.915  -1.996
   65   2HB   ALA  10          2HB       ALA  10   9.499   5.785  -3.150
   66   3HB   ALA  10          3HB       ALA  10   9.624   7.201  -2.107
   67    HA   PRO  11           HA       PRO  11   4.866   6.277  -0.064
   68   1HB   PRO  11          1HB       PRO  11   5.563   9.116  -0.726
   69   2HB   PRO  11          2HB       PRO  11   4.443   8.491   0.491
   70   1HG   PRO  11          1HG       PRO  11   6.885   9.329   1.174
   71   2HG   PRO  11          2HG       PRO  11   6.140   7.926   1.960
   72   1HD   PRO  11          1HD       PRO  11   8.369   8.034   0.018
   73   2HD   PRO  11          2HD       PRO  11   7.987   6.799   1.233
   74    H    ARG  12           H        ARG  12   6.338   8.374  -2.561
   75    HA   ARG  12           HA       ARG  12   4.061   8.015  -4.287
   76   1HB   ARG  12          1HB       ARG  12   5.275   9.496  -5.831
   77   2HB   ARG  12          2HB       ARG  12   5.178  10.174  -4.212
   78   1HG   ARG  12          1HG       ARG  12   7.476   9.448  -3.778
   79   2HG   ARG  12          2HG       ARG  12   7.568   8.795  -5.415
   80   1HD   ARG  12          1HD       ARG  12   8.614  10.997  -5.282
   81   2HD   ARG  12          2HD       ARG  12   7.199  11.024  -6.334
   82    HE   ARG  12           HE       ARG  12   6.397  11.764  -3.758
   83   1HH1  ARG  12          1HH1      ARG  12   8.370  12.961  -6.366
   84   2HH1  ARG  12          2HH1      ARG  12   8.110  14.627  -5.971
   85   1HH2  ARG  12          1HH2      ARG  12   6.048  13.956  -3.228
   86   2HH2  ARG  12          2HH2      ARG  12   6.791  15.193  -4.186
   87    H    GLU  13           H        GLU  13   7.266   6.681  -3.985
   88    HA   GLU  13           HA       GLU  13   7.267   5.494  -6.614
   89   1HB   GLU  13          1HB       GLU  13   9.089   5.066  -4.240
   90   2HB   GLU  13          2HB       GLU  13   9.345   4.376  -5.836
   91   1HG   GLU  13          1HG       GLU  13  10.732   6.333  -5.501
   92   2HG   GLU  13          2HG       GLU  13   9.553   6.611  -6.781
   93    H    ARG  14           H        ARG  14   5.378   4.835  -4.138
   94    HA   ARG  14           HA       ARG  14   5.741   2.014  -3.811
   95   1HB   ARG  14          1HB       ARG  14   3.369   3.770  -3.150
   96   2HB   ARG  14          2HB       ARG  14   3.572   2.101  -2.633
   97   1HG   ARG  14          1HG       ARG  14   5.571   2.735  -1.375
   98   2HG   ARG  14          2HG       ARG  14   5.352   4.410  -1.885
   99   1HD   ARG  14          1HD       ARG  14   3.178   4.463  -0.759
  100   2HD   ARG  14          2HD       ARG  14   3.409   2.793  -0.241
  101    HE   ARG  14           HE       ARG  14   5.609   4.207   0.659
  102   1HH1  ARG  14          1HH1      ARG  14   2.159   4.252   1.136
  103   2HH1  ARG  14          2HH1      ARG  14   2.260   4.860   2.754
  104   1HH2  ARG  14          1HH2      ARG  14   5.753   5.007   2.791
  105   2HH2  ARG  14          2HH2      ARG  14   4.304   5.289   3.696
  106    H    GLN  15           H        GLN  15   5.175   0.480  -5.185
  107    HA   GLN  15           HA       GLN  15   3.636   1.142  -7.532
  108   1HB   GLN  15          1HB       GLN  15   4.795  -1.523  -6.700
  109   2HB   GLN  15          2HB       GLN  15   4.214  -1.090  -8.303
  110   1HG   GLN  15          1HG       GLN  15   6.606   0.049  -6.878
  111   2HG   GLN  15          2HG       GLN  15   6.612  -1.026  -8.275
  112   2HE2  GLN  15          2HE2      GLN  15   6.070  -0.211 -10.297
  113   1HE2  GLN  15          1HE2      GLN  15   6.030   1.485 -10.625
  114    H    ASN  16           H        ASN  16   1.616   1.589  -6.455
  115    HA   ASN  16           HA       ASN  16   0.006   0.368  -4.829
  116   1HB   ASN  16          1HB       ASN  16  -0.812   2.077  -6.374
  117   2HB   ASN  16          2HB       ASN  16  -0.799   0.913  -7.695
  118   2HD2  ASN  16          2HD2      ASN  16  -2.993   2.482  -6.571
  119   1HD2  ASN  16          1HD2      ASN  16  -4.198   1.337  -6.097
  120    H    CYS  17           H        CYS  17  -1.329  -1.448  -4.628
  121    HA   CYS  17           HA       CYS  17  -0.883  -3.627  -6.540
  122   1HB   CYS  17          1HB       CYS  17   0.648  -4.065  -4.713
  123   2HB   CYS  17          2HB       CYS  17  -0.638  -3.833  -3.533
  124    H    GLY  18           H        GLY  18  -3.015  -1.678  -5.072
  125   1HA   GLY  18          1HA       GLY  18  -5.085  -3.160  -4.053
  126   2HA   GLY  18          2HA       GLY  18  -5.258  -3.302  -5.796
  127    H    PHE  19           H        PHE  19  -6.722  -1.855  -3.484
  128    HA   PHE  19           HA       PHE  19  -7.072   0.659  -4.965
  129   1HB   PHE  19          1HB       PHE  19  -9.297   0.775  -3.909
  130   2HB   PHE  19          2HB       PHE  19  -9.087  -0.708  -4.833
  131    HD1  PHE  19           HD1      PHE  19  -9.953   0.699  -1.684
  132    HD2  PHE  19           HD2      PHE  19  -8.443  -2.817  -3.545
  133    HE1  PHE  19           HE1      PHE  19 -10.590  -0.616   0.295
  134    HE2  PHE  19           HE2      PHE  19  -9.077  -4.140  -1.569
  135    HZ   PHE  19           HZ       PHE  19 -10.153  -3.039   0.354
  136    HA   PRO  20           HA       PRO  20  -5.817   3.199  -1.613
  137   1HB   PRO  20          1HB       PRO  20  -7.792   5.043  -1.342
  138   2HB   PRO  20          2HB       PRO  20  -6.674   5.026  -2.711
  139   1HG   PRO  20          1HG       PRO  20  -9.474   3.981  -2.539
  140   2HG   PRO  20          2HG       PRO  20  -8.702   4.903  -3.842
  141   1HD   PRO  20          1HD       PRO  20  -9.033   2.218  -3.956
  142   2HD   PRO  20          2HD       PRO  20  -7.652   3.042  -4.708
  143    H    GLY  21           H        GLY  21  -8.731   1.438  -1.299
  144   1HA   GLY  21          1HA       GLY  21 -10.177   1.232   0.578
  145   2HA   GLY  21          2HA       GLY  21  -9.009   2.126   1.540
  146    H    VAL  22           H        VAL  22  -7.821  -0.375  -0.508
  147    HA   VAL  22           HA       VAL  22  -8.023  -2.745   0.558
  148    HB   VAL  22           HB       VAL  22  -5.629  -3.199   0.301
  149   1HG1  VAL  22          1HG1      VAL  22  -7.028  -3.089  -1.692
  150   2HG1  VAL  22          2HG1      VAL  22  -6.723  -1.357  -1.823
  151   3HG1  VAL  22          3HG1      VAL  22  -5.400  -2.504  -2.036
  152   1HG2  VAL  22          1HG2      VAL  22  -5.382  -0.201   0.086
  153   2HG2  VAL  22          2HG2      VAL  22  -4.693  -1.236   1.337
  154   3HG2  VAL  22          3HG2      VAL  22  -4.104  -1.345  -0.321
  155    H    THR  23           H        THR  23  -7.259  -3.997   2.301
  156    HA   THR  23           HA       THR  23  -6.492  -2.437   4.683
  157    HB   THR  23           HB       THR  23  -7.683  -4.101   6.058
  158    HG1  THR  23           HG1      THR  23  -9.284  -5.237   4.311
  159   1HG2  THR  23          1HG2      THR  23  -8.843  -2.052   5.385
  160   2HG2  THR  23          2HG2      THR  23  -9.411  -2.850   3.919
  161   3HG2  THR  23          3HG2      THR  23  -9.965  -3.408   5.498
  162    HA   PRO  24           HA       PRO  24  -2.937  -4.867   5.511
  163   1HB   PRO  24          1HB       PRO  24  -4.221  -5.860   8.011
  164   2HB   PRO  24          2HB       PRO  24  -2.649  -5.084   7.785
  165   1HG   PRO  24          1HG       PRO  24  -4.692  -3.730   8.825
  166   2HG   PRO  24          2HG       PRO  24  -3.567  -2.954   7.695
  167   1HD   PRO  24          1HD       PRO  24  -6.349  -3.931   7.233
  168   2HD   PRO  24          2HD       PRO  24  -5.520  -2.516   6.553
  169    H    SER  25           H        SER  25  -5.997  -6.524   6.166
  170    HA   SER  25           HA       SER  25  -4.857  -9.143   5.829
  171   1HB   SER  25          1HB       SER  25  -6.760  -8.815   7.335
  172   2HB   SER  25          2HB       SER  25  -7.748  -8.256   5.985
  173    HG   SER  25           HG       SER  25  -6.581 -10.689   5.539
  174    H    GLN  26           H        GLN  26  -7.049  -7.075   3.942
  175    HA   GLN  26           HA       GLN  26  -7.429  -8.832   1.796
  176   1HB   GLN  26          1HB       GLN  26  -7.451  -5.808   1.792
  177   2HB   GLN  26          2HB       GLN  26  -8.110  -6.831   0.522
  178   1HG   GLN  26          1HG       GLN  26  -9.727  -7.753   2.102
  179   2HG   GLN  26          2HG       GLN  26  -9.066  -6.727   3.375
  180   2HE2  GLN  26          2HE2      GLN  26  -9.454  -4.513   3.322
  181   1HE2  GLN  26          1HE2      GLN  26 -10.697  -3.821   2.342
  182    H    CYS  27           H        CYS  27  -5.008  -6.291   2.300
  183    HA   CYS  27           HA       CYS  27  -3.758  -6.701  -0.242
  184   1HB   CYS  27          1HB       CYS  27  -3.655  -4.534   0.916
  185   2HB   CYS  27          2HB       CYS  27  -2.736  -5.274   2.223
  186    H    ALA  28           H        ALA  28  -2.631  -7.300   3.093
  187    HA   ALA  28           HA       ALA  28  -0.329  -8.709   2.476
  188   1HB   ALA  28          1HB       ALA  28  -0.884  -7.930   4.730
  189   2HB   ALA  28          2HB       ALA  28  -0.457  -9.641   4.722
  190   3HB   ALA  28          3HB       ALA  28  -2.148  -9.155   4.841
  191    H    ASN  29           H        ASN  29  -3.561  -9.625   1.979
  192    HA   ASN  29           HA       ASN  29  -2.976 -12.481   1.950
  193   1HB   ASN  29          1HB       ASN  29  -5.107 -11.781   2.911
  194   2HB   ASN  29          2HB       ASN  29  -5.543 -10.973   1.408
  195   2HD2  ASN  29          2HD2      ASN  29  -6.122 -12.200  -0.381
  196   1HD2  ASN  29          1HD2      ASN  29  -6.557 -13.867  -0.247
  197    H    LYS  30           H        LYS  30  -2.929  -9.840  -0.164
  198    HA   LYS  30           HA       LYS  30  -3.325 -11.510  -2.537
  199   1HB   LYS  30          1HB       LYS  30  -4.523  -9.379  -2.488
  200   2HB   LYS  30          2HB       LYS  30  -3.007  -8.515  -2.270
  201   1HG   LYS  30          1HG       LYS  30  -3.783  -8.372  -4.568
  202   2HG   LYS  30          2HG       LYS  30  -2.257  -9.252  -4.467
  203   1HD   LYS  30          1HD       LYS  30  -3.475 -11.373  -4.592
  204   2HD   LYS  30          2HD       LYS  30  -5.000 -10.491  -4.696
  205   1HE   LYS  30          1HE       LYS  30  -2.731 -10.347  -6.679
  206   2HE   LYS  30          2HE       LYS  30  -4.241 -11.231  -6.899
  207   1HZ   LYS  30          1HZ       LYS  30  -3.995  -8.290  -6.563
  208   2HZ   LYS  30          2HZ       LYS  30  -4.293  -9.094  -8.021
  209   3HZ   LYS  30          3HZ       LYS  30  -5.442  -9.139  -6.781
  210    H    GLY  31           H        GLY  31  -0.860 -10.712  -0.534
  211   1HA   GLY  31          1HA       GLY  31   1.116 -11.391  -2.548
  212   2HA   GLY  31          2HA       GLY  31   1.390 -11.258  -0.817
  213    H    CYS  32           H        CYS  32   0.520  -8.690  -0.317
  214    HA   CYS  32           HA       CYS  32   2.703  -7.178  -1.493
  215   1HB   CYS  32          1HB       CYS  32  -0.175  -6.279  -1.710
  216   2HB   CYS  32          2HB       CYS  32   1.215  -5.249  -2.031
  217    H    CYS  33           H        CYS  33   3.287  -5.322  -0.292
  218    HA   CYS  33           HA       CYS  33   2.877  -5.544   2.503
  219   1HB   CYS  33          1HB       CYS  33   4.061  -3.273   0.891
  220   2HB   CYS  33          2HB       CYS  33   4.173  -3.441   2.640
  221    H    PHE  34           H        PHE  34   1.931  -3.975   3.927
  222    HA   PHE  34           HA       PHE  34  -0.128  -2.284   2.679
  223   1HB   PHE  34          1HB       PHE  34  -1.200  -4.314   3.555
  224   2HB   PHE  34          2HB       PHE  34  -0.497  -4.006   5.140
  225    HD1  PHE  34           HD1      PHE  34  -3.078  -3.052   2.756
  226    HD2  PHE  34           HD2      PHE  34  -1.326  -2.196   6.538
  227    HE1  PHE  34           HE1      PHE  34  -5.038  -1.689   3.351
  228    HE2  PHE  34           HE2      PHE  34  -3.283  -0.833   7.141
  229    HZ   PHE  34           HZ       PHE  34  -5.143  -0.577   5.546
  230    H    ASP  35           H        ASP  35   0.468  -0.263   3.093
  231    HA   ASP  35           HA       ASP  35   1.112   0.463   5.858
  232   1HB   ASP  35          1HB       ASP  35   3.260   0.236   4.705
  233   2HB   ASP  35          2HB       ASP  35   2.710   1.328   3.437
  234    H    ASP  36           H        ASP  36  -0.921   1.401   6.065
  235    HA   ASP  36           HA       ASP  36  -1.718   3.479   4.196
  236   1HB   ASP  36          1HB       ASP  36  -3.781   3.588   5.541
  237   2HB   ASP  36          2HB       ASP  36  -3.432   1.943   5.018
  238    H    THR  37           H        THR  37   0.294   3.326   6.791
  239    HA   THR  37           HA       THR  37  -0.305   5.393   8.490
  240    HB   THR  37           HB       THR  37   2.112   5.694   8.839
  241    HG1  THR  37           HG1      THR  37   3.433   5.248   7.256
  242   1HG2  THR  37          1HG2      THR  37   1.299   2.805   8.493
  243   2HG2  THR  37          2HG2      THR  37   2.647   3.383   9.472
  244   3HG2  THR  37          3HG2      THR  37   0.992   3.805   9.913
  245    H    VAL  38           H        VAL  38   0.016   5.636   5.185
  246    HA   VAL  38           HA       VAL  38   0.210   8.552   5.361
  247    HB   VAL  38           HB       VAL  38   1.809   6.906   3.395
  248   1HG1  VAL  38          1HG1      VAL  38   0.972   8.963   2.401
  249   2HG1  VAL  38          2HG1      VAL  38   1.613   9.895   3.754
  250   3HG1  VAL  38          3HG1      VAL  38   2.714   9.062   2.657
  251   1HG2  VAL  38          1HG2      VAL  38   2.792   6.868   5.622
  252   2HG2  VAL  38          2HG2      VAL  38   3.771   7.847   4.528
  253   3HG2  VAL  38          3HG2      VAL  38   2.712   8.628   5.702
  254    H    ARG  39           H        ARG  39  -1.811   9.034   4.722
  255    HA   ARG  39           HA       ARG  39  -3.253   7.577   2.756
  256   1HB   ARG  39          1HB       ARG  39  -4.895   9.399   2.905
  257   2HB   ARG  39          2HB       ARG  39  -4.402   8.840   4.498
  258   1HG   ARG  39          1HG       ARG  39  -2.897  10.757   4.704
  259   2HG   ARG  39          2HG       ARG  39  -3.402  11.318   3.108
  260   1HD   ARG  39          1HD       ARG  39  -4.587  12.516   4.868
  261   2HD   ARG  39          2HD       ARG  39  -5.699  11.540   3.910
  262    HE   ARG  39           HE       ARG  39  -4.885  10.033   6.120
  263   1HH1  ARG  39          1HH1      ARG  39  -6.750  12.883   5.397
  264   2HH1  ARG  39          2HH1      ARG  39  -7.785  12.713   6.775
  265   1HH2  ARG  39          1HH2      ARG  39  -6.242   9.799   7.939
  266   2HH2  ARG  39          2HH2      ARG  39  -7.496  10.961   8.221
  267    H    GLY  40           H        GLY  40  -4.393   9.533   1.144
  268   1HA   GLY  40          1HA       GLY  40  -2.491  11.132  -0.216
  269   2HA   GLY  40          2HA       GLY  40  -4.070  10.664  -0.831
  270    H    VAL  41           H        VAL  41  -1.523   8.435   0.129
  271    HA   VAL  41           HA       VAL  41  -1.124   7.732  -2.702
  272    HB   VAL  41           HB       VAL  41   0.978   6.681  -2.022
  273   1HG1  VAL  41          1HG1      VAL  41   1.007   9.024  -2.689
  274   2HG1  VAL  41          2HG1      VAL  41   0.704   9.515  -1.023
  275   3HG1  VAL  41          3HG1      VAL  41   2.217   8.713  -1.445
  276   1HG2  VAL  41          1HG2      VAL  41   0.355   6.005   0.233
  277   2HG2  VAL  41          2HG2      VAL  41   1.834   6.964   0.259
  278   3HG2  VAL  41          3HG2      VAL  41   0.301   7.693   0.739
  279    HA   PRO  42           HA       PRO  42  -2.790   3.691  -2.211
  280   1HB   PRO  42          1HB       PRO  42  -0.922   2.051  -3.321
  281   2HB   PRO  42          2HB       PRO  42  -1.968   3.110  -4.273
  282   1HG   PRO  42          1HG       PRO  42   0.869   3.523  -3.414
  283   2HG   PRO  42          2HG       PRO  42   0.115   3.858  -4.984
  284   1HD   PRO  42          1HD       PRO  42   0.591   5.799  -3.164
  285   2HD   PRO  42          2HD       PRO  42  -0.804   5.847  -4.260
  286    H    TRP  43           H        TRP  43  -3.007   2.704  -0.309
  287    HA   TRP  43           HA       TRP  43  -0.879   2.438   1.555
  288   1HB   TRP  43          1HB       TRP  43  -3.629   1.175   1.552
  289   2HB   TRP  43          2HB       TRP  43  -2.524   1.198   2.922
  290    HD1  TRP  43           HD1      TRP  43  -1.762   4.410   2.056
  291    HE1  TRP  43           HE1      TRP  43  -3.376   6.198   2.964
  292    HE3  TRP  43           HE3      TRP  43  -5.773   1.421   3.118
  293    HZ2  TRP  43           HZ2      TRP  43  -6.000   6.325   3.995
  294    HZ3  TRP  43           HZ3      TRP  43  -7.795   2.455   4.063
  295    HH2  TRP  43           HH2      TRP  43  -7.905   4.856   4.493
  296    H    CYS  44           H        CYS  44  -2.454   0.233  -0.698
  297    HA   CYS  44           HA       CYS  44  -0.715  -1.951   0.178
  298   1HB   CYS  44          1HB       CYS  44  -3.104  -2.448  -0.123
  299   2HB   CYS  44          2HB       CYS  44  -2.997  -1.949  -1.808
  300    H    PHE  45           H        PHE  45   1.041  -2.549  -0.918
  301    HA   PHE  45           HA       PHE  45   1.289  -2.021  -3.755
  302   1HB   PHE  45          1HB       PHE  45   3.425  -0.805  -3.518
  303   2HB   PHE  45          2HB       PHE  45   2.079   0.084  -2.812
  304    HD1  PHE  45           HD1      PHE  45   1.886   0.345  -0.404
  305    HD2  PHE  45           HD2      PHE  45   5.183  -1.703  -2.148
  306    HE1  PHE  45           HE1      PHE  45   3.112   0.517   1.722
  307    HE2  PHE  45           HE2      PHE  45   6.415  -1.536  -0.025
  308    HZ   PHE  45           HZ       PHE  45   5.379  -0.424   1.914
  309    H    TYR  46           H        TYR  46   3.263  -2.995  -4.671
  310    HA   TYR  46           HA       TYR  46   3.652  -5.611  -3.665
  311   1HB   TYR  46          1HB       TYR  46   5.173  -4.079  -5.782
  312   2HB   TYR  46          2HB       TYR  46   5.355  -5.802  -5.469
  313    HD1  TYR  46           HD1      TYR  46   3.166  -3.210  -6.855
  314    HD2  TYR  46           HD2      TYR  46   3.628  -7.375  -6.121
  315    HE1  TYR  46           HE1      TYR  46   1.309  -3.682  -8.397
  316    HE2  TYR  46           HE2      TYR  46   1.773  -7.858  -7.661
  317    HH   TYR  46           HH       TYR  46  -0.203  -6.706  -8.582
  318    HA   PRO  47           HA       PRO  47   6.937  -4.787  -0.830
  319   1HB   PRO  47          1HB       PRO  47   7.558  -7.314  -0.190
  320   2HB   PRO  47          2HB       PRO  47   6.015  -6.593   0.285
  321   1HG   PRO  47          1HG       PRO  47   6.619  -8.461  -1.971
  322   2HG   PRO  47          2HG       PRO  47   5.236  -8.454  -0.862
  323   1HD   PRO  47          1HD       PRO  47   5.189  -7.419  -3.414
  324   2HD   PRO  47          2HD       PRO  47   4.098  -6.913  -2.110
  325    H    ASN  48           H        ASN  48   9.215  -5.847  -0.371
  326    HA   ASN  48           HA       ASN  48  10.584  -6.331  -2.930
  327   1HB   ASN  48          1HB       ASN  48  11.565  -4.559  -0.681
  328   2HB   ASN  48          2HB       ASN  48  12.483  -4.969  -2.126
  329   2HD2  ASN  48          2HD2      ASN  48   9.839  -3.140  -0.828
  330   1HD2  ASN  48          1HD2      ASN  48   9.593  -2.129  -2.207
  331    H    THR  49           H        THR  49  10.420  -8.579  -2.312
  332    HA   THR  49           HA       THR  49  11.913  -9.427   0.037
  333    HB   THR  49           HB       THR  49  10.421 -11.057  -2.027
  334    HG1  THR  49           HG1      THR  49   8.741 -10.658  -0.811
  335   1HG2  THR  49          1HG2      THR  49  12.222 -12.347  -0.988
  336   2HG2  THR  49          2HG2      THR  49  11.632 -11.893   0.611
  337   3HG2  THR  49          3HG2      THR  49  10.644 -12.910  -0.437
  338    H    ILE  50           H        ILE  50  13.860 -10.437   0.021
  339    HA   ILE  50           HA       ILE  50  15.107 -10.995  -2.583
  340    HB   ILE  50           HB       ILE  50  16.467  -9.588  -0.280
  341   1HG1  ILE  50          1HG1      ILE  50  15.682  -8.583  -3.025
  342   2HG1  ILE  50          2HG1      ILE  50  14.918  -8.127  -1.505
  343   1HG2  ILE  50          1HG2      ILE  50  17.508 -10.369  -3.000
  344   2HG2  ILE  50          2HG2      ILE  50  18.377  -9.402  -1.808
  345   3HG2  ILE  50          3HG2      ILE  50  17.977 -11.084  -1.457
  346   1HD1  ILE  50          1HD1      ILE  50  17.006  -7.104  -0.766
  347   2HD1  ILE  50          2HD1      ILE  50  17.768  -7.563  -2.289
  348   3HD1  ILE  50          3HD1      ILE  50  16.438  -6.405  -2.283
  349    H    ASP  51           H        ASP  51  16.373 -12.797  -2.669
  350    HA   ASP  51           HA       ASP  51  17.352 -14.105  -0.313
  351   1HB   ASP  51          1HB       ASP  51  16.060 -16.185  -0.589
  352   2HB   ASP  51          2HB       ASP  51  15.015 -14.821  -0.205
  353    H    VAL  52           H        VAL  52  17.783 -16.629  -1.229
  354    HA   VAL  52           HA       VAL  52  19.033 -16.375  -3.866
  355    HB   VAL  52           HB       VAL  52  21.130 -17.342  -3.090
  356   1HG1  VAL  52          1HG1      VAL  52  20.337 -14.890  -1.524
  357   2HG1  VAL  52          2HG1      VAL  52  21.991 -15.419  -1.833
  358   3HG1  VAL  52          3HG1      VAL  52  20.960 -14.920  -3.174
  359   1HG2  VAL  52          1HG2      VAL  52  19.908 -17.159  -0.338
  360   2HG2  VAL  52          2HG2      VAL  52  20.325 -18.635  -1.210
  361   3HG2  VAL  52          3HG2      VAL  52  21.597 -17.537  -0.675
  362    HA   PRO  53           HA       PRO  53  17.097 -20.392  -4.090
  363   1HB   PRO  53          1HB       PRO  53  17.811 -20.935  -6.646
  364   2HB   PRO  53          2HB       PRO  53  16.511 -19.810  -6.237
  365   1HG   PRO  53          1HG       PRO  53  19.351 -19.231  -6.988
  366   2HG   PRO  53          2HG       PRO  53  17.866 -18.420  -7.519
  367   1HD   PRO  53          1HD       PRO  53  19.476 -17.408  -5.585
  368   2HD   PRO  53          2HD       PRO  53  17.718 -17.157  -5.598
  369    HA   PRO  54           HA       PRO  54  20.957 -22.568  -3.094
  370   1HB   PRO  54          1HB       PRO  54  19.767 -24.535  -1.665
  371   2HB   PRO  54          2HB       PRO  54  20.087 -22.931  -0.994
  372   1HG   PRO  54          1HG       PRO  54  17.540 -24.044  -2.109
  373   2HG   PRO  54          2HG       PRO  54  17.790 -23.068  -0.649
  374   1HD   PRO  54          1HD       PRO  54  16.896 -22.016  -2.986
  375   2HD   PRO  54          2HD       PRO  54  17.884 -21.095  -1.833
  376    H    GLU  55           H        GLU  55  17.937 -24.208  -4.039
  377    HA   GLU  55           HA       GLU  55  19.428 -25.707  -6.055
  378   1HB   GLU  55          1HB       GLU  55  19.379 -27.174  -4.098
  379   2HB   GLU  55          2HB       GLU  55  17.633 -27.002  -3.995
  380   1HG   GLU  55          1HG       GLU  55  18.248 -29.124  -4.995
  381   2HG   GLU  55          2HG       GLU  55  17.382 -28.108  -6.147
  382    H    GLU  56           H        GLU  56  17.623 -27.231  -7.190
  383    HA   GLU  56           HA       GLU  56  15.858 -25.394  -8.459
  384   1HB   GLU  56          1HB       GLU  56  15.981 -28.410  -8.648
  385   2HB   GLU  56          2HB       GLU  56  15.079 -27.359  -9.731
  386   1HG   GLU  56          1HG       GLU  56  18.067 -27.381  -9.376
  387   2HG   GLU  56          2HG       GLU  56  17.175 -28.078 -10.727
  388    H    GLU  57           H        GLU  57  15.390 -25.647  -5.625
  389    HA   GLU  57           HA       GLU  57  12.541 -25.951  -5.693
  390   1HB   GLU  57          1HB       GLU  57  14.154 -27.873  -4.007
  391   2HB   GLU  57          2HB       GLU  57  12.409 -27.676  -3.933
  392   1HG   GLU  57          1HG       GLU  57  12.225 -28.426  -6.249
  393   2HG   GLU  57          2HG       GLU  57  13.975 -28.625  -6.322
  394    H    CYS  58           H        CYS  58  11.570 -24.750  -4.136
  395    HA   CYS  58           HA       CYS  58  13.348 -23.297  -2.316
  396   1HB   CYS  58          1HB       CYS  58  11.521 -21.681  -2.108
  397   2HB   CYS  58          2HB       CYS  58  11.920 -21.952  -3.801
  398    H    GLU  59           H        GLU  59  10.057 -23.237  -1.485
  399    HA   GLU  59           HA       GLU  59  10.316 -25.393   0.473
  400   1HB   GLU  59          1HB       GLU  59   9.570 -22.554   1.197
  401   2HB   GLU  59          2HB       GLU  59   9.496 -23.932   2.286
  402   1HG   GLU  59          1HG       GLU  59  11.912 -24.220   2.090
  403   2HG   GLU  59          2HG       GLU  59  11.987 -22.838   0.998
  404    H    PHE  60           H        PHE  60   7.907 -24.217   1.846
  405    HA   PHE  60           HA       PHE  60   5.797 -24.188  -0.080
  406   1HB   PHE  60          1HB       PHE  60   6.102 -26.652   1.650
  407   2HB   PHE  60          2HB       PHE  60   4.693 -26.273   0.664
  408    HD1  PHE  60           HD1      PHE  60   4.745 -26.519  -1.729
  409    HD2  PHE  60           HD2      PHE  60   8.192 -27.342   0.627
  410    HE1  PHE  60           HE1      PHE  60   5.782 -27.656  -3.649
  411    HE2  PHE  60           HE2      PHE  60   9.235 -28.480  -1.289
  412    HZ   PHE  60           HZ       PHE  60   8.030 -28.637  -3.431
  413    H1   GLU   1           H1       GLU   1  15.488  -1.324  -8.162
  414    H2   GLU   1           H2       GLU   1  15.723   0.258  -7.609
  415    H3   GLU   1           H3       GLU   1  14.487  -0.078  -8.714
  416    HA   GLU   1           HA       GLU   1  16.100  -0.690 -10.389
  417   1HB   GLU   1          1HB       GLU   1  16.994   1.557 -10.814
  418   2HB   GLU   1          2HB       GLU   1  15.314   1.623 -10.300
  419   1HG   GLU   1          1HG       GLU   1  16.023   2.234  -8.047
  420   2HG   GLU   1          2HG       GLU   1  17.708   2.164  -8.558
  421    H    ALA   2           H        ALA   2  17.268  -2.278  -8.686
  422    HA   ALA   2           HA       ALA   2  19.770  -1.385  -7.663
  423   1HB   ALA   2          1HB       ALA   2  18.833  -4.196  -8.225
  424   2HB   ALA   2          2HB       ALA   2  18.581  -3.308  -6.722
  425   3HB   ALA   2          3HB       ALA   2  20.215  -3.739  -7.229
  426    H    GLN   3           H        GLN   3  18.865  -1.507 -10.735
  427    HA   GLN   3           HA       GLN   3  21.241  -2.790 -11.829
  428   1HB   GLN   3          1HB       GLN   3  18.969  -1.400 -13.260
  429   2HB   GLN   3          2HB       GLN   3  20.222  -2.381 -14.008
  430   1HG   GLN   3          1HG       GLN   3  18.122  -3.348 -12.080
  431   2HG   GLN   3          2HG       GLN   3  18.142  -3.611 -13.823
  432   2HE2  GLN   3          2HE2      GLN   3  19.524  -4.494 -10.769
  433   1HE2  GLN   3          1HE2      GLN   3  20.383  -5.887 -11.325
  434    H    THR   4           H        THR   4  23.069  -1.660 -11.983
  435    HA   THR   4           HA       THR   4  23.074   0.982 -13.130
  436    HB   THR   4           HB       THR   4  24.228   2.086 -11.255
  437    HG1  THR   4           HG1      THR   4  24.659   1.034  -9.430
  438   1HG2  THR   4          1HG2      THR   4  21.811   2.369 -11.499
  439   2HG2  THR   4          2HG2      THR   4  21.537   0.936 -10.508
  440   3HG2  THR   4          3HG2      THR   4  22.277   2.370  -9.798
  441    H    GLU   5           H        GLU   5  24.891   1.303 -14.247
  442    HA   GLU   5           HA       GLU   5  27.165  -0.495 -13.731
  443   1HB   GLU   5          1HB       GLU   5  26.404   0.939 -16.283
  444   2HB   GLU   5          2HB       GLU   5  27.800  -0.111 -16.081
  445   1HG   GLU   5          1HG       GLU   5  26.005  -1.274 -17.209
  446   2HG   GLU   5          2HG       GLU   5  26.323  -1.999 -15.633
  447    H    THR   6           H        THR   6  29.261   0.341 -13.686
  448    HA   THR   6           HA       THR   6  29.585   3.242 -13.834
  449    HB   THR   6           HB       THR   6  30.364   1.629 -11.397
  450    HG1  THR   6           HG1      THR   6  28.846   3.007 -10.367
  451   1HG2  THR   6          1HG2      THR   6  32.048   3.317 -11.940
  452   2HG2  THR   6          2HG2      THR   6  30.793   4.553 -12.022
  453   3HG2  THR   6          3HG2      THR   6  31.155   3.765 -10.486
  454    H    CYS   7           H        CYS   7  31.892   3.891 -13.731
  455    HA   CYS   7           HA       CYS   7  33.650   1.763 -14.764
  456   1HB   CYS   7          1HB       CYS   7  33.554   4.670 -15.595
  457   2HB   CYS   7          2HB       CYS   7  34.747   3.501 -16.152
  458    H    THR   8           H        THR   8  33.351   2.627 -12.014
  459    HA   THR   8           HA       THR   8  35.841   4.079 -11.498
  460    HB   THR   8           HB       THR   8  33.888   4.880 -10.281
  461    HG1  THR   8           HG1      THR   8  36.186   4.255  -9.223
  462   1HG2  THR   8          1HG2      THR   8  32.605   2.798 -10.212
  463   2HG2  THR   8          2HG2      THR   8  33.777   2.106  -9.090
  464   3HG2  THR   8          3HG2      THR   8  32.787   3.479  -8.595
  465    H    VAL   9           H        VAL   9  37.015   2.125 -12.297
  466    HA   VAL   9           HA       VAL   9  37.288   0.122 -10.150
  467    HB   VAL   9           HB       VAL   9  37.781  -0.268 -13.106
  468   1HG1  VAL   9          1HG1      VAL   9  38.011  -2.198 -10.799
  469   2HG1  VAL   9          2HG1      VAL   9  38.126  -2.631 -12.505
  470   3HG1  VAL   9          3HG1      VAL   9  39.336  -1.571 -11.781
  471   1HG2  VAL   9          1HG2      VAL   9  35.409  -0.152 -12.572
  472   2HG2  VAL   9          2HG2      VAL   9  35.871  -1.800 -13.000
  473   3HG2  VAL   9          3HG2      VAL   9  35.620  -1.365 -11.309
  474    H    ALA  10           H        ALA  10  39.546  -1.073 -10.562
  475    HA   ALA  10           HA       ALA  10  41.550   1.049 -10.369
  476   1HB   ALA  10          1HB       ALA  10  42.972  -0.630  -9.326
  477   2HB   ALA  10          2HB       ALA  10  41.760  -1.872  -9.644
  478   3HB   ALA  10          3HB       ALA  10  41.402  -0.556  -8.525
  479    HA   PRO  11           HA       PRO  11  43.701   0.444 -14.132
  480   1HB   PRO  11          1HB       PRO  11  46.076  -0.399 -12.531
  481   2HB   PRO  11          2HB       PRO  11  45.952   0.825 -13.800
  482   1HG   PRO  11          1HG       PRO  11  46.086   1.541 -11.242
  483   2HG   PRO  11          2HG       PRO  11  45.027   2.403 -12.373
  484   1HD   PRO  11          1HD       PRO  11  44.328   0.433 -10.249
  485   2HD   PRO  11          2HD       PRO  11  43.419   1.845 -10.826
  486    H    ARG  12           H        ARG  12  44.313  -2.079 -11.711
  487    HA   ARG  12           HA       ARG  12  44.829  -4.043 -13.793
  488   1HB   ARG  12          1HB       ARG  12  45.319  -5.570 -11.929
  489   2HB   ARG  12          2HB       ARG  12  46.242  -4.078 -11.809
  490   1HG   ARG  12          1HG       ARG  12  44.676  -3.235 -10.138
  491   2HG   ARG  12          2HG       ARG  12  43.740  -4.727 -10.262
  492   1HD   ARG  12          1HD       ARG  12  45.689  -6.005  -9.509
  493   2HD   ARG  12          2HD       ARG  12  46.617  -4.512  -9.380
  494    HE   ARG  12           HE       ARG  12  44.300  -4.252  -7.832
  495   1HH1  ARG  12          1HH1      ARG  12  47.267  -6.072  -7.889
  496   2HH1  ARG  12          2HH1      ARG  12  47.337  -6.263  -6.169
  497   1HH2  ARG  12          1HH2      ARG  12  44.380  -4.497  -5.564
  498   2HH2  ARG  12          2HH2      ARG  12  45.694  -5.368  -4.847
  499    H    GLU  13           H        GLU  13  42.305  -3.115 -11.579
  500    HA   GLU  13           HA       GLU  13  40.796  -5.539 -11.850
  501   1HB   GLU  13          1HB       GLU  13  39.978  -2.825 -10.799
  502   2HB   GLU  13          2HB       GLU  13  39.027  -4.297 -10.654
  503   1HG   GLU  13          1HG       GLU  13  40.795  -5.309  -9.308
  504   2HG   GLU  13          2HG       GLU  13  41.747  -3.832  -9.452
  505    H    ARG  14           H        ARG  14  41.550  -3.754 -14.236
  506    HA   ARG  14           HA       ARG  14  38.873  -3.214 -15.295
  507   1HB   ARG  14          1HB       ARG  14  41.598  -2.504 -16.396
  508   2HB   ARG  14          2HB       ARG  14  40.061  -2.045 -17.117
  509   1HG   ARG  14          1HG       ARG  14  39.510  -0.734 -15.142
  510   2HG   ARG  14          2HG       ARG  14  41.034  -1.213 -14.392
  511   1HD   ARG  14          1HD       ARG  14  42.265  -0.121 -16.204
  512   2HD   ARG  14          2HD       ARG  14  40.741   0.357 -16.950
  513    HE   ARG  14           HE       ARG  14  40.690   1.344 -14.369
  514   1HH1  ARG  14          1HH1      ARG  14  42.647   1.737 -17.223
  515   2HH1  ARG  14          2HH1      ARG  14  43.087   3.371 -16.855
  516   1HH2  ARG  14          1HH2      ARG  14  41.262   3.496 -13.874
  517   2HH2  ARG  14          2HH2      ARG  14  42.299   4.371 -14.950
  518    H    GLN  15           H        GLN  15  37.915  -4.801 -16.363
  519    HA   GLN  15           HA       GLN  15  39.417  -7.002 -17.457
  520   1HB   GLN  15          1HB       GLN  15  37.259  -7.372 -16.341
  521   2HB   GLN  15          2HB       GLN  15  36.455  -6.402 -17.568
  522   1HG   GLN  15          1HG       GLN  15  36.146  -8.772 -17.979
  523   2HG   GLN  15          2HG       GLN  15  37.076  -8.020 -19.275
  524   2HE2  GLN  15          2HE2      GLN  15  38.444  -8.726 -16.157
  525   1HE2  GLN  15          1HE2      GLN  15  39.480 -10.007 -16.676
  526    H    ASN  16           H        ASN  16  40.576  -6.422 -19.222
  527    HA   ASN  16           HA       ASN  16  40.269  -4.605 -21.130
  528   1HB   ASN  16          1HB       ASN  16  42.073  -6.255 -21.173
  529   2HB   ASN  16          2HB       ASN  16  40.940  -7.503 -21.683
  530   2HD2  ASN  16          2HD2      ASN  16  40.768  -4.229 -22.843
  531   1HD2  ASN  16          1HD2      ASN  16  41.271  -4.563 -24.461
  532    H    CYS  17           H        CYS  17  39.234  -4.349 -23.135
  533    HA   CYS  17           HA       CYS  17  37.028  -6.154 -23.768
  534   1HB   CYS  17          1HB       CYS  17  35.968  -4.485 -22.371
  535   2HB   CYS  17          2HB       CYS  17  36.703  -3.184 -23.302
  536    H    GLY  18           H        GLY  18  39.705  -4.706 -24.767
  537   1HA   GLY  18          1HA       GLY  18  39.192  -3.349 -27.119
  538   2HA   GLY  18          2HA       GLY  18  39.121  -5.055 -27.534
  539    H    PHE  19           H        PHE  19  41.043  -2.733 -28.089
  540    HA   PHE  19           HA       PHE  19  43.480  -4.267 -27.506
  541   1HB   PHE  19          1HB       PHE  19  44.477  -3.005 -29.410
  542   2HB   PHE  19          2HB       PHE  19  43.101  -4.000 -29.873
  543    HD1  PHE  19           HD1      PHE  19  40.956  -2.966 -30.438
  544    HD2  PHE  19           HD2      PHE  19  44.400  -0.624 -29.565
  545    HE1  PHE  19           HE1      PHE  19  39.876  -1.005 -31.459
  546    HE2  PHE  19           HE2      PHE  19  43.325   1.342 -30.583
  547    HZ   PHE  19           HZ       PHE  19  41.060   1.153 -31.532
  548    HA   PRO  20           HA       PRO  20  45.278  -1.116 -25.047
  549   1HB   PRO  20          1HB       PRO  20  47.800  -0.845 -26.028
  550   2HB   PRO  20          2HB       PRO  20  47.273  -2.252 -25.099
  551   1HG   PRO  20          1HG       PRO  20  47.533  -1.929 -28.064
  552   2HG   PRO  20          2HG       PRO  20  48.003  -3.300 -27.042
  553   1HD   PRO  20          1HD       PRO  20  45.720  -3.289 -28.492
  554   2HD   PRO  20          2HD       PRO  20  45.847  -4.115 -26.926
  555    H    GLY  21           H        GLY  21  45.679  -0.606 -28.522
  556   1HA   GLY  21          1HA       GLY  21  46.035   1.365 -29.712
  557   2HA   GLY  21          2HA       GLY  21  46.159   2.232 -28.189
  558    H    VAL  22           H        VAL  22  43.487   0.702 -27.571
  559    HA   VAL  22           HA       VAL  22  41.534   1.776 -29.302
  560    HB   VAL  22           HB       VAL  22  39.907   1.222 -27.558
  561   1HG1  VAL  22          1HG1      VAL  22  42.050  -0.859 -27.969
  562   2HG1  VAL  22          2HG1      VAL  22  40.429  -1.191 -27.358
  563   3HG1  VAL  22          3HG1      VAL  22  40.645  -0.567 -28.994
  564   1HG2  VAL  22          1HG2      VAL  22  42.325   0.640 -25.850
  565   2HG2  VAL  22          2HG2      VAL  22  41.163   1.944 -25.606
  566   3HG2  VAL  22          3HG2      VAL  22  40.656   0.265 -25.422
  567    H    THR  23           H        THR  23  39.836   3.340 -28.618
  568    HA   THR  23           HA       THR  23  40.883   5.479 -26.895
  569    HB   THR  23           HB       THR  23  40.062   7.182 -28.473
  570    HG1  THR  23           HG1      THR  23  38.512   5.842 -29.555
  571   1HG2  THR  23          1HG2      THR  23  42.010   5.231 -29.708
  572   2HG2  THR  23          2HG2      THR  23  41.807   6.918 -30.180
  573   3HG2  THR  23          3HG2      THR  23  42.411   6.519 -28.572
  574    HA   PRO  24           HA       PRO  24  36.956   6.130 -25.033
  575   1HB   PRO  24          1HB       PRO  24  36.601   8.692 -26.517
  576   2HB   PRO  24          2HB       PRO  24  36.493   8.372 -24.782
  577   1HG   PRO  24          1HG       PRO  24  38.631   9.583 -25.807
  578   2HG   PRO  24          2HG       PRO  24  38.795   8.398 -24.498
  579   1HD   PRO  24          1HD       PRO  24  39.391   8.109 -27.407
  580   2HD   PRO  24          2HD       PRO  24  40.217   7.395 -26.007
  581    H    SER  25           H        SER  25  37.060   6.842 -28.487
  582    HA   SER  25           HA       SER  25  34.224   6.364 -28.814
  583   1HB   SER  25          1HB       SER  25  35.314   8.069 -30.195
  584   2HB   SER  25          2HB       SER  25  36.395   6.850 -30.869
  585    HG   SER  25           HG       SER  25  34.713   7.136 -32.297
  586    H    GLN  26           H        GLN  26  37.078   4.945 -30.420
  587    HA   GLN  26           HA       GLN  26  36.012   2.756 -31.569
  588   1HB   GLN  26          1HB       GLN  26  38.595   2.791 -29.996
  589   2HB   GLN  26          2HB       GLN  26  38.158   1.592 -31.205
  590   1HG   GLN  26          1HG       GLN  26  38.113   3.329 -32.918
  591   2HG   GLN  26          2HG       GLN  26  38.548   4.534 -31.706
  592   2HE2  GLN  26          2HE2      GLN  26  39.651   1.837 -33.598
  593   1HE2  GLN  26          1HE2      GLN  26  41.339   2.061 -33.308
  594    H    CYS  27           H        CYS  27  36.580   3.190 -28.136
  595    HA   CYS  27           HA       CYS  27  35.918   0.464 -27.477
  596   1HB   CYS  27          1HB       CYS  27  37.501   1.787 -26.111
  597   2HB   CYS  27          2HB       CYS  27  36.192   2.879 -25.674
  598    H    ALA  28           H        ALA  28  34.409   3.589 -26.631
  599    HA   ALA  28           HA       ALA  28  32.047   2.794 -25.580
  600   1HB   ALA  28          1HB       ALA  28  32.688   5.140 -25.861
  601   2HB   ALA  28          2HB       ALA  28  31.048   4.846 -26.440
  602   3HB   ALA  28          3HB       ALA  28  32.372   5.020 -27.592
  603    H    ASN  29           H        ASN  29  32.965   2.676 -28.968
  604    HA   ASN  29           HA       ASN  29  30.555   2.168 -30.202
  605   1HB   ASN  29          1HB       ASN  29  32.671   2.379 -31.426
  606   2HB   ASN  29          2HB       ASN  29  33.220   0.843 -30.762
  607   2HD2  ASN  29          2HD2      ASN  29  32.843   1.661 -33.534
  608   1HD2  ASN  29          1HD2      ASN  29  31.734   0.528 -34.219
  609    H    LYS  30           H        LYS  30  32.570   0.001 -28.300
  610    HA   LYS  30           HA       LYS  30  30.736  -2.223 -28.660
  611   1HB   LYS  30          1HB       LYS  30  33.179  -1.958 -26.895
  612   2HB   LYS  30          2HB       LYS  30  32.277  -3.441 -27.175
  613   1HG   LYS  30          1HG       LYS  30  33.795  -1.872 -29.249
  614   2HG   LYS  30          2HG       LYS  30  34.304  -3.389 -28.505
  615   1HD   LYS  30          1HD       LYS  30  32.355  -4.514 -29.459
  616   2HD   LYS  30          2HD       LYS  30  31.832  -2.996 -30.191
  617   1HE   LYS  30          1HE       LYS  30  34.401  -4.462 -30.785
  618   2HE   LYS  30          2HE       LYS  30  32.971  -4.420 -31.816
  619   1HZ   LYS  30          1HZ       LYS  30  34.620  -2.070 -31.054
  620   2HZ   LYS  30          2HZ       LYS  30  34.643  -2.845 -32.557
  621   3HZ   LYS  30          3HZ       LYS  30  33.250  -2.031 -32.046
  622    H    GLY  31           H        GLY  31  31.502   0.254 -26.322
  623   1HA   GLY  31          1HA       GLY  31  29.111  -0.534 -24.809
  624   2HA   GLY  31          2HA       GLY  31  29.842   1.064 -24.819
  625    H    CYS  32           H        CYS  32  32.548  -0.251 -24.501
  626    HA   CYS  32           HA       CYS  32  32.329  -1.080 -21.693
  627   1HB   CYS  32          1HB       CYS  32  34.612  -1.342 -23.658
  628   2HB   CYS  32          2HB       CYS  32  34.694  -1.831 -21.969
  629    H    CYS  33           H        CYS  33  33.793  -0.193 -20.125
  630    HA   CYS  33           HA       CYS  33  33.984   2.615 -20.215
  631   1HB   CYS  33          1HB       CYS  33  35.402   0.658 -18.395
  632   2HB   CYS  33          2HB       CYS  33  35.276   2.392 -18.122
  633    H    PHE  34           H        PHE  34  35.798   3.978 -20.346
  634    HA   PHE  34           HA       PHE  34  38.243   2.771 -21.440
  635   1HB   PHE  34          1HB       PHE  34  36.924   3.633 -23.321
  636   2HB   PHE  34          2HB       PHE  34  36.840   5.212 -22.548
  637    HD1  PHE  34           HD1      PHE  34  38.924   2.882 -24.416
  638    HD2  PHE  34           HD2      PHE  34  38.798   6.653 -22.448
  639    HE1  PHE  34           HE1      PHE  34  41.016   3.532 -25.536
  640    HE2  PHE  34           HE2      PHE  34  40.889   7.310 -23.565
  641    HZ   PHE  34           HZ       PHE  34  42.002   5.749 -25.111
  642    H    ASP  35           H        ASP  35  39.938   3.334 -20.262
  643    HA   ASP  35           HA       ASP  35  39.974   5.999 -19.014
  644   1HB   ASP  35          1HB       ASP  35  39.458   4.345 -17.286
  645   2HB   ASP  35          2HB       ASP  35  40.875   3.404 -17.744
  646    H    ASP  36           H        ASP  36  41.299   6.765 -20.689
  647    HA   ASP  36           HA       ASP  36  43.879   5.476 -21.105
  648   1HB   ASP  36          1HB       ASP  36  44.176   7.152 -22.893
  649   2HB   ASP  36          2HB       ASP  36  42.675   6.250 -23.081
  650    H    THR  37           H        THR  37  43.834   6.283 -18.572
  651    HA   THR  37           HA       THR  37  45.387   8.790 -18.548
  652    HB   THR  37           HB       THR  37  44.708   9.080 -16.199
  653    HG1  THR  37           HG1      THR  37  42.984   6.858 -16.677
  654   1HG2  THR  37          1HG2      THR  37  42.381   8.718 -18.090
  655   2HG2  THR  37          2HG2      THR  37  42.361   9.670 -16.606
  656   3HG2  THR  37          3HG2      THR  37  43.390  10.157 -17.952
  657    H    VAL  38           H        VAL  38  45.490   5.456 -18.081
  658    HA   VAL  38           HA       VAL  38  48.109   5.694 -16.774
  659    HB   VAL  38           HB       VAL  38  46.013   3.650 -16.026
  660   1HG1  VAL  38          1HG1      VAL  38  48.812   4.069 -14.982
  661   2HG1  VAL  38          2HG1      VAL  38  47.634   2.929 -14.331
  662   3HG1  VAL  38          3HG1      VAL  38  48.258   2.715 -15.967
  663   1HG2  VAL  38          1HG2      VAL  38  45.515   5.846 -15.103
  664   2HG2  VAL  38          2HG2      VAL  38  46.039   4.743 -13.830
  665   3HG2  VAL  38          3HG2      VAL  38  47.151   5.961 -14.455
  666    H    ARG  39           H        ARG  39  49.564   4.893 -18.123
  667    HA   ARG  39           HA       ARG  39  48.919   3.211 -20.312
  668   1HB   ARG  39          1HB       ARG  39  51.613   3.860 -19.100
  669   2HB   ARG  39          2HB       ARG  39  51.361   3.095 -20.663
  670   1HG   ARG  39          1HG       ARG  39  50.212   5.099 -21.461
  671   2HG   ARG  39          2HG       ARG  39  50.470   5.867 -19.892
  672   1HD   ARG  39          1HD       ARG  39  52.129   6.611 -21.517
  673   2HD   ARG  39          2HD       ARG  39  52.885   5.707 -20.205
  674    HE   ARG  39           HE       ARG  39  52.268   4.010 -22.396
  675   1HH1  ARG  39          1HH1      ARG  39  54.528   6.429 -21.317
  676   2HH1  ARG  39          2HH1      ARG  39  55.826   5.843 -22.303
  677   1HH2  ARG  39          1HH2      ARG  39  53.970   3.229 -23.699
  678   2HH2  ARG  39          2HH2      ARG  39  55.509   4.023 -23.658
  679    H    GLY  40           H        GLY  40  50.588   1.215 -20.593
  680   1HA   GLY  40          1HA       GLY  40  51.021  -0.386 -18.279
  681   2HA   GLY  40          2HA       GLY  40  51.149  -0.922 -19.947
  682    H    VAL  41           H        VAL  41  48.328   0.422 -18.280
  683    HA   VAL  41           HA       VAL  41  47.051  -2.199 -18.255
  684    HB   VAL  41           HB       VAL  41  45.262  -1.129 -16.980
  685   1HG1  VAL  41          1HG1      VAL  41  47.196  -1.978 -15.770
  686   2HG1  VAL  41          2HG1      VAL  41  48.011  -0.425 -15.957
  687   3HG1  VAL  41          3HG1      VAL  41  46.549  -0.541 -14.978
  688   1HG2  VAL  41          1HG2      VAL  41  46.855   1.408 -17.339
  689   2HG2  VAL  41          2HG2      VAL  41  45.281   1.056 -18.052
  690   3HG2  VAL  41          3HG2      VAL  41  45.440   1.222 -16.304
  691    HA   PRO  42           HA       PRO  42  44.599  -1.543 -21.855
  692   1HB   PRO  42          1HB       PRO  42  42.325  -2.873 -21.192
  693   2HB   PRO  42          2HB       PRO  42  43.836  -3.695 -21.599
  694   1HG   PRO  42          1HG       PRO  42  42.667  -3.101 -18.907
  695   2HG   PRO  42          2HG       PRO  42  43.445  -4.585 -19.486
  696   1HD   PRO  42          1HD       PRO  42  44.736  -2.771 -17.947
  697   2HD   PRO  42          2HD       PRO  42  45.569  -3.742 -19.178
  698    H    TRP  43           H        TRP  43  43.674   0.315 -22.430
  699    HA   TRP  43           HA       TRP  43  42.328   2.010 -20.606
  700   1HB   TRP  43          1HB       TRP  43  42.422   2.110 -23.628
  701   2HB   TRP  43          2HB       TRP  43  41.843   3.408 -22.589
  702    HD1  TRP  43           HD1      TRP  43  44.231   3.200 -20.411
  703    HE1  TRP  43           HE1      TRP  43  46.552   4.107 -21.057
  704    HE3  TRP  43           HE3      TRP  43  43.756   3.097 -25.501
  705    HZ2  TRP  43           HZ2      TRP  43  47.990   4.701 -23.411
  706    HZ3  TRP  43           HZ3      TRP  43  45.651   3.854 -26.877
  707    HH2  TRP  43           HH2      TRP  43  47.723   4.639 -25.853
  708    H    CYS  44           H        CYS  44  41.161  -0.006 -23.295
  709    HA   CYS  44           HA       CYS  44  38.402   0.568 -22.550
  710   1HB   CYS  44          1HB       CYS  44  39.021   0.574 -24.936
  711   2HB   CYS  44          2HB       CYS  44  39.504  -1.114 -24.811
  712    H    PHE  45           H        PHE  45  37.351  -0.657 -21.147
  713    HA   PHE  45           HA       PHE  45  37.739  -3.538 -21.133
  714   1HB   PHE  45          1HB       PHE  45  38.093  -3.625 -18.696
  715   2HB   PHE  45          2HB       PHE  45  39.398  -2.770 -19.511
  716    HD1  PHE  45           HD1      PHE  45  36.540  -2.456 -17.260
  717    HD2  PHE  45           HD2      PHE  45  39.703  -0.391 -19.219
  718    HE1  PHE  45           HE1      PHE  45  36.195  -0.526 -15.773
  719    HE2  PHE  45           HE2      PHE  45  39.366   1.542 -17.735
  720    HZ   PHE  45           HZ       PHE  45  37.610   1.477 -16.009
  721    H    TYR  46           H        TYR  46  36.089  -4.664 -19.872
  722    HA   TYR  46           HA       TYR  46  33.515  -3.689 -20.345
  723   1HB   TYR  46          1HB       TYR  46  34.409  -5.830 -18.405
  724   2HB   TYR  46          2HB       TYR  46  32.747  -5.565 -18.919
  725    HD1  TYR  46           HD1      TYR  46  31.992  -6.271 -21.094
  726    HD2  TYR  46           HD2      TYR  46  36.068  -6.738 -19.968
  727    HE1  TYR  46           HE1      TYR  46  32.347  -7.757 -23.020
  728    HE2  TYR  46           HE2      TYR  46  36.435  -8.226 -21.891
  729    HH   TYR  46           HH       TYR  46  35.126  -9.678 -23.373
  730    HA   PRO  47           HA       PRO  47  32.755  -0.971 -16.970
  731   1HB   PRO  47          1HB       PRO  47  30.055  -1.087 -16.852
  732   2HB   PRO  47          2HB       PRO  47  30.915  -0.278 -18.167
  733   1HG   PRO  47          1HG       PRO  47  29.691  -3.010 -18.103
  734   2HG   PRO  47          2HG       PRO  47  29.632  -1.787 -19.386
  735   1HD   PRO  47          1HD       PRO  47  31.328  -3.907 -19.448
  736   2HD   PRO  47          2HD       PRO  47  31.721  -2.339 -20.180
  737    H    ASN  48           H        ASN  48  30.960  -0.969 -15.025
  738    HA   ASN  48           HA       ASN  48  31.313  -3.544 -13.634
  739   1HB   ASN  48          1HB       ASN  48  31.339  -0.761 -12.444
  740   2HB   ASN  48          2HB       ASN  48  31.458  -2.261 -11.528
  741   2HD2  ASN  48          2HD2      ASN  48  33.072  -0.100 -13.717
  742   1HD2  ASN  48          1HD2      ASN  48  34.659  -0.749 -13.508
  743    H    THR  49           H        THR  49  29.253  -4.235 -14.366
  744    HA   THR  49           HA       THR  49  26.887  -2.722 -13.809
  745    HB   THR  49           HB       THR  49  25.661  -4.729 -14.519
  746    HG1  THR  49           HG1      THR  49  27.713  -6.242 -15.352
  747   1HG2  THR  49          1HG2      THR  49  28.026  -4.063 -16.277
  748   2HG2  THR  49          2HG2      THR  49  26.564  -4.893 -16.810
  749   3HG2  THR  49          3HG2      THR  49  26.475  -3.224 -16.247
  750    H    ILE  50           H        ILE  50  26.282  -2.387 -11.759
  751    HA   ILE  50           HA       ILE  50  26.578  -4.574  -9.825
  752    HB   ILE  50           HB       ILE  50  26.000  -1.657  -9.303
  753   1HG1  ILE  50          1HG1      ILE  50  28.544  -3.258  -8.957
  754   2HG1  ILE  50          2HG1      ILE  50  28.263  -2.026 -10.184
  755   1HG2  ILE  50          1HG2      ILE  50  26.625  -3.915  -7.408
  756   2HG2  ILE  50          2HG2      ILE  50  26.460  -2.218  -6.961
  757   3HG2  ILE  50          3HG2      ILE  50  25.070  -3.104  -7.587
  758   1HD1  ILE  50          1HD1      ILE  50  28.050  -0.338  -8.437
  759   2HD1  ILE  50          2HD1      ILE  50  28.335  -1.573  -7.211
  760   3HD1  ILE  50          3HD1      ILE  50  29.607  -1.163  -8.362
  761    H    ASP  51           H        ASP  51  24.868  -5.478  -8.808
  762    HA   ASP  51           HA       ASP  51  22.212  -4.377  -8.988
  763   1HB   ASP  51          1HB       ASP  51  22.810  -6.953 -10.458
  764   2HB   ASP  51          2HB       ASP  51  21.244  -6.158 -10.322
  765    H    VAL  52           H        VAL  52  20.614  -5.724  -7.877
  766    HA   VAL  52           HA       VAL  52  21.797  -7.783  -6.143
  767    HB   VAL  52           HB       VAL  52  20.486  -7.005  -4.243
  768   1HG1  VAL  52          1HG1      VAL  52  22.170  -4.821  -5.463
  769   2HG1  VAL  52          2HG1      VAL  52  21.714  -4.936  -3.764
  770   3HG1  VAL  52          3HG1      VAL  52  22.754  -6.166  -4.483
  771   1HG2  VAL  52          1HG2      VAL  52  18.620  -6.011  -5.465
  772   2HG2  VAL  52          2HG2      VAL  52  19.301  -4.867  -4.308
  773   3HG2  VAL  52          3HG2      VAL  52  19.671  -4.710  -6.025
  774    HA   PRO  53           HA       PRO  53  17.325  -8.578  -7.856
  775   1HB   PRO  53          1HB       PRO  53  18.381  -9.391 -10.461
  776   2HB   PRO  53          2HB       PRO  53  17.061  -8.281 -10.090
  777   1HG   PRO  53          1HG       PRO  53  19.423  -7.442 -11.101
  778   2HG   PRO  53          2HG       PRO  53  18.449  -6.451 -10.000
  779   1HD   PRO  53          1HD       PRO  53  20.884  -8.094  -9.420
  780   2HD   PRO  53          2HD       PRO  53  20.438  -6.485  -8.816
  781    HA   PRO  54           HA       PRO  54  18.694 -12.746  -6.827
  782   1HB   PRO  54          1HB       PRO  54  16.253 -13.645  -6.067
  783   2HB   PRO  54          2HB       PRO  54  17.264 -12.633  -5.029
  784   1HG   PRO  54          1HG       PRO  54  14.947 -11.854  -6.757
  785   2HG   PRO  54          2HG       PRO  54  15.336 -11.335  -5.107
  786   1HD   PRO  54          1HD       PRO  54  15.869  -9.813  -7.288
  787   2HD   PRO  54          2HD       PRO  54  16.874  -9.778  -5.825
  788    H    GLU  55           H        GLU  55  17.436 -14.974  -7.287
  789    HA   GLU  55           HA       GLU  55  17.020 -14.991 -10.180
  790   1HB   GLU  55          1HB       GLU  55  17.462 -17.271  -8.245
  791   2HB   GLU  55          2HB       GLU  55  17.323 -17.434  -9.989
  792   1HG   GLU  55          1HG       GLU  55  19.641 -17.512  -9.291
  793   2HG   GLU  55          2HG       GLU  55  19.332 -16.090 -10.286
  794    H    GLU  56           H        GLU  56  15.730 -17.548  -8.243
  795    HA   GLU  56           HA       GLU  56  13.003 -16.525  -8.512
  796   1HB   GLU  56          1HB       GLU  56  12.222 -18.648  -9.475
  797   2HB   GLU  56          2HB       GLU  56  13.372 -17.839 -10.531
  798   1HG   GLU  56          1HG       GLU  56  13.780 -20.227 -10.460
  799   2HG   GLU  56          2HG       GLU  56  15.137 -19.334  -9.774
  800    H    GLU  57           H        GLU  57  11.450 -17.638  -7.185
  801    HA   GLU  57           HA       GLU  57  12.676 -19.175  -4.990
  802   1HB   GLU  57          1HB       GLU  57  12.132 -16.910  -4.241
  803   2HB   GLU  57          2HB       GLU  57  10.474 -17.111  -4.793
  804   1HG   GLU  57          1HG       GLU  57  10.147 -18.896  -3.157
  805   2HG   GLU  57          2HG       GLU  57  11.807 -18.687  -2.602
  806    H    CYS  58           H        CYS  58   9.491 -18.740  -4.324
  807    HA   CYS  58           HA       CYS  58   8.830 -21.418  -5.281
  808   1HB   CYS  58          1HB       CYS  58   7.416 -19.582  -3.338
  809   2HB   CYS  58          2HB       CYS  58   6.845 -21.186  -3.785
  810    H    GLU  59           H        GLU  59   6.395 -21.667  -5.861
  811    HA   GLU  59           HA       GLU  59   5.069 -19.511  -7.134
  812   1HB   GLU  59          1HB       GLU  59   5.294 -20.253  -9.467
  813   2HB   GLU  59          2HB       GLU  59   6.840 -19.758  -8.791
  814   1HG   GLU  59          1HG       GLU  59   7.440 -22.097  -8.439
  815   2HG   GLU  59          2HG       GLU  59   5.889 -22.595  -9.113
  816    H    PHE  60           H        PHE  60   5.420 -22.792  -6.274
  817    HA   PHE  60           HA       PHE  60   2.559 -23.177  -6.384
  818   1HB   PHE  60          1HB       PHE  60   3.199 -23.889  -8.631
  819   2HB   PHE  60          2HB       PHE  60   4.413 -24.974  -7.961
  820    HD1  PHE  60           HD1      PHE  60   0.856 -24.441  -8.561
  821    HD2  PHE  60           HD2      PHE  60   3.770 -27.044  -6.877
  822    HE1  PHE  60           HE1      PHE  60  -0.819 -26.239  -8.454
  823    HE2  PHE  60           HE2      PHE  60   2.101 -28.848  -6.767
  824    HZ   PHE  60           HZ       PHE  60  -0.197 -28.447  -7.556

  No H/Q in entry =         824
  Start of MODEL    7
    1    H1   GLU   1           H1       GLU   1  22.818 -16.338  -1.196
    2    H2   GLU   1           H2       GLU   1  22.156 -17.458  -2.278
    3    H3   GLU   1           H3       GLU   1  22.122 -15.807  -2.644
    4    HA   GLU   1           HA       GLU   1  19.958 -16.544  -1.933
    5   1HB   GLU   1          1HB       GLU   1  21.392 -17.280   0.628
    6   2HB   GLU   1          2HB       GLU   1  19.650 -17.317   0.392
    7   1HG   GLU   1          1HG       GLU   1  21.671 -19.002  -1.069
    8   2HG   GLU   1          2HG       GLU   1  20.608 -19.540   0.230
    9    H    ALA   2           H        ALA   2  21.809 -14.218  -1.954
   10    HA   ALA   2           HA       ALA   2  21.101 -12.657   0.368
   11   1HB   ALA   2          1HB       ALA   2  23.280 -12.372  -0.714
   12   2HB   ALA   2          2HB       ALA   2  22.362 -10.867  -0.698
   13   3HB   ALA   2          3HB       ALA   2  22.475 -11.814  -2.182
   14    H    GLN   3           H        GLN   3  18.734 -13.125  -0.158
   15    HA   GLN   3           HA       GLN   3  17.692 -10.838  -1.668
   16   1HB   GLN   3          1HB       GLN   3  16.617 -13.658  -1.876
   17   2HB   GLN   3          2HB       GLN   3  15.909 -12.236  -2.626
   18   1HG   GLN   3          1HG       GLN   3  18.659 -13.300  -3.224
   19   2HG   GLN   3          2HG       GLN   3  17.218 -13.633  -4.182
   20   2HE2  GLN   3          2HE2      GLN   3  17.789 -10.543  -2.682
   21   1HE2  GLN   3          1HE2      GLN   3  18.088  -9.666  -4.139
   22    H    THR   4           H        THR   4  16.231  -9.714  -0.551
   23    HA   THR   4           HA       THR   4  14.687 -11.064   1.545
   24    HB   THR   4           HB       THR   4  15.050  -9.188   3.099
   25    HG1  THR   4           HG1      THR   4  17.245  -8.291   1.605
   26   1HG2  THR   4          1HG2      THR   4  17.607 -10.487   2.152
   27   2HG2  THR   4          2HG2      THR   4  17.363  -9.723   3.722
   28   3HG2  THR   4          3HG2      THR   4  16.457 -11.175   3.297
   29    H    GLU   5           H        GLU   5  12.626 -10.338   1.796
   30    HA   GLU   5           HA       GLU   5  11.731  -8.303  -0.117
   31   1HB   GLU   5          1HB       GLU   5  10.150 -10.391   1.395
   32   2HB   GLU   5          2HB       GLU   5   9.479  -9.253   0.234
   33   1HG   GLU   5          1HG       GLU   5   9.788 -11.438  -0.767
   34   2HG   GLU   5          2HG       GLU   5  10.833 -10.243  -1.533
   35    H    THR   6           H        THR   6  11.077  -6.370   0.556
   36    HA   THR   6           HA       THR   6  10.252  -6.053   3.365
   37    HB   THR   6           HB       THR   6  12.022  -4.143   1.825
   38    HG1  THR   6           HG1      THR   6  13.353  -4.783   3.837
   39   1HG2  THR   6          1HG2      THR   6  10.478  -2.975   3.321
   40   2HG2  THR   6          2HG2      THR   6  10.987  -4.005   4.659
   41   3HG2  THR   6          3HG2      THR   6  12.132  -2.884   3.923
   42    H    CYS   7           H        CYS   7   9.234  -3.757   3.639
   43    HA   CYS   7           HA       CYS   7   7.556  -3.156   1.300
   44   1HB   CYS   7          1HB       CYS   7   6.609  -3.482   4.153
   45   2HB   CYS   7          2HB       CYS   7   5.619  -2.867   2.834
   46    H    THR   8           H        THR   8   9.795  -1.979   3.324
   47    HA   THR   8           HA       THR   8   8.659   0.556   4.020
   48    HB   THR   8           HB       THR   8  10.494  -0.381   5.342
   49    HG1  THR   8           HG1      THR   8  11.947   1.594   5.025
   50   1HG2  THR   8          1HG2      THR   8  11.703  -1.504   3.523
   51   2HG2  THR   8          2HG2      THR   8  12.186   0.065   2.880
   52   3HG2  THR   8          3HG2      THR   8  12.770  -0.458   4.460
   53    H    VAL   9           H        VAL   9   7.913   0.679   1.616
   54    HA   VAL   9           HA       VAL   9   9.986   1.812  -0.110
   55    HB   VAL   9           HB       VAL   9   7.099   1.170  -0.735
   56   1HG1  VAL   9          1HG1      VAL   9   9.377   1.960  -2.546
   57   2HG1  VAL   9          2HG1      VAL   9   7.774   1.452  -3.078
   58   3HG1  VAL   9          3HG1      VAL   9   7.965   2.942  -2.153
   59   1HG2  VAL   9          1HG2      VAL   9   8.450  -0.823  -0.237
   60   2HG2  VAL   9          2HG2      VAL   9   7.963  -0.759  -1.931
   61   3HG2  VAL   9          3HG2      VAL   9   9.611  -0.331  -1.470
   62    H    ALA  10           H        ALA  10   9.658   3.838  -1.189
   63    HA   ALA  10           HA       ALA  10   8.652   5.892   0.504
   64   1HB   ALA  10          1HB       ALA  10  10.561   6.247  -0.985
   65   2HB   ALA  10          2HB       ALA  10   9.507   6.047  -2.385
   66   3HB   ALA  10          3HB       ALA  10   9.276   7.414  -1.294
   67    HA   PRO  11           HA       PRO  11   4.334   5.964  -0.281
   68   1HB   PRO  11          1HB       PRO  11   4.873   8.892  -0.629
   69   2HB   PRO  11          2HB       PRO  11   3.599   8.088   0.298
   70   1HG   PRO  11          1HG       PRO  11   5.760   9.079   1.514
   71   2HG   PRO  11          2HG       PRO  11   5.020   7.560   2.049
   72   1HD   PRO  11          1HD       PRO  11   7.562   8.012   0.599
   73   2HD   PRO  11          2HD       PRO  11   7.086   6.668   1.655
   74    H    ARG  12           H        ARG  12   5.769   8.586  -2.225
   75    HA   ARG  12           HA       ARG  12   4.058   8.149  -4.426
   76   1HB   ARG  12          1HB       ARG  12   6.711   9.595  -4.323
   77   2HB   ARG  12          2HB       ARG  12   5.540   9.708  -5.630
   78   1HG   ARG  12          1HG       ARG  12   3.913  10.681  -4.085
   79   2HG   ARG  12          2HG       ARG  12   5.096  10.576  -2.780
   80   1HD   ARG  12          1HD       ARG  12   5.019  12.828  -3.712
   81   2HD   ARG  12          2HD       ARG  12   6.585  12.074  -4.007
   82    HE   ARG  12           HE       ARG  12   5.108  11.540  -6.250
   83   1HH1  ARG  12          1HH1      ARG  12   6.085  14.411  -4.537
   84   2HH1  ARG  12          2HH1      ARG  12   6.122  15.402  -5.958
   85   1HH2  ARG  12          1HH2      ARG  12   5.155  12.834  -8.126
   86   2HH2  ARG  12          2HH2      ARG  12   5.594  14.506  -7.998
   87    H    GLU  13           H        GLU  13   7.173   6.850  -3.558
   88    HA   GLU  13           HA       GLU  13   7.605   5.721  -6.200
   89   1HB   GLU  13          1HB       GLU  13   9.224   5.458  -3.659
   90   2HB   GLU  13          2HB       GLU  13   9.707   4.858  -5.240
   91   1HG   GLU  13          1HG       GLU  13   9.254   7.743  -4.508
   92   2HG   GLU  13          2HG       GLU  13  10.817   6.953  -4.705
   93    H    ARG  14           H        ARG  14   5.308   4.875  -4.536
   94    HA   ARG  14           HA       ARG  14   5.980   2.079  -3.982
   95   1HB   ARG  14          1HB       ARG  14   3.456   3.643  -3.410
   96   2HB   ARG  14          2HB       ARG  14   3.726   1.963  -2.967
   97   1HG   ARG  14          1HG       ARG  14   5.601   2.656  -1.540
   98   2HG   ARG  14          2HG       ARG  14   5.276   4.339  -1.960
   99   1HD   ARG  14          1HD       ARG  14   3.049   4.162  -0.980
  100   2HD   ARG  14          2HD       ARG  14   3.349   2.470  -0.585
  101    HE   ARG  14           HE       ARG  14   5.372   3.999   0.580
  102   1HH1  ARG  14          1HH1      ARG  14   1.931   3.532   0.856
  103   2HH1  ARG  14          2HH1      ARG  14   1.881   3.935   2.540
  104   1HH2  ARG  14          1HH2      ARG  14   5.316   4.530   2.797
  105   2HH2  ARG  14          2HH2      ARG  14   3.805   4.503   3.643
  106    H    GLN  15           H        GLN  15   5.418   0.470  -5.299
  107    HA   GLN  15           HA       GLN  15   4.091   1.091  -7.789
  108   1HB   GLN  15          1HB       GLN  15   5.179  -1.527  -6.738
  109   2HB   GLN  15          2HB       GLN  15   4.599  -1.251  -8.375
  110   1HG   GLN  15          1HG       GLN  15   6.953   0.108  -7.083
  111   2HG   GLN  15          2HG       GLN  15   7.027  -1.196  -8.266
  112   2HE2  GLN  15          2HE2      GLN  15   6.355   2.170  -7.743
  113   1HE2  GLN  15          1HE2      GLN  15   6.352   2.638  -9.406
  114    H    ASN  16           H        ASN  16   1.939   1.329  -7.655
  115    HA   ASN  16           HA       ASN  16   0.110   0.478  -5.909
  116   1HB   ASN  16          1HB       ASN  16  -0.469   1.796  -7.891
  117   2HB   ASN  16          2HB       ASN  16  -0.246   0.379  -8.912
  118   2HD2  ASN  16          2HD2      ASN  16  -1.682   0.206  -5.749
  119   1HD2  ASN  16          1HD2      ASN  16  -3.289  -0.143  -6.279
  120    H    CYS  17           H        CYS  17  -0.464  -1.385  -5.029
  121    HA   CYS  17           HA       CYS  17  -0.428  -3.821  -6.652
  122   1HB   CYS  17          1HB       CYS  17   1.695  -3.703  -5.347
  123   2HB   CYS  17          2HB       CYS  17   0.744  -3.652  -3.868
  124    H    GLY  18           H        GLY  18  -2.082  -1.757  -4.773
  125   1HA   GLY  18          1HA       GLY  18  -3.553  -3.432  -3.028
  126   2HA   GLY  18          2HA       GLY  18  -4.397  -3.286  -4.562
  127    H    PHE  19           H        PHE  19  -5.942  -1.824  -4.485
  128    HA   PHE  19           HA       PHE  19  -5.659   0.859  -4.160
  129   1HB   PHE  19          1HB       PHE  19  -8.080   0.969  -3.719
  130   2HB   PHE  19          2HB       PHE  19  -7.706  -0.156  -5.021
  131    HD1  PHE  19           HD1      PHE  19  -8.920   0.186  -1.595
  132    HD2  PHE  19           HD2      PHE  19  -8.002  -2.540  -4.731
  133    HE1  PHE  19           HE1      PHE  19 -10.165  -1.580  -0.419
  134    HE2  PHE  19           HE2      PHE  19  -9.245  -4.311  -3.561
  135    HZ   PHE  19           HZ       PHE  19 -10.329  -3.832  -1.401
  136    HA   PRO  20           HA       PRO  20  -5.235   1.933   0.079
  137   1HB   PRO  20          1HB       PRO  20  -7.056   3.916   0.463
  138   2HB   PRO  20          2HB       PRO  20  -5.571   4.137  -0.470
  139   1HG   PRO  20          1HG       PRO  20  -8.356   3.612  -1.437
  140   2HG   PRO  20          2HG       PRO  20  -7.146   4.747  -2.067
  141   1HD   PRO  20          1HD       PRO  20  -7.626   2.348  -3.223
  142   2HD   PRO  20          2HD       PRO  20  -6.017   3.099  -3.220
  143    H    GLY  21           H        GLY  21  -8.736   1.954  -0.654
  144   1HA   GLY  21          1HA       GLY  21 -10.444   0.738   0.326
  145   2HA   GLY  21          2HA       GLY  21  -9.831   1.517   1.777
  146    H    VAL  22           H        VAL  22  -7.883  -0.759   0.004
  147    HA   VAL  22           HA       VAL  22  -8.587  -3.173   1.113
  148    HB   VAL  22           HB       VAL  22  -6.303  -3.927   0.734
  149   1HG1  VAL  22          1HG1      VAL  22  -7.765  -3.701  -1.197
  150   2HG1  VAL  22          2HG1      VAL  22  -7.253  -2.026  -1.406
  151   3HG1  VAL  22          3HG1      VAL  22  -6.096  -3.337  -1.635
  152   1HG2  VAL  22          1HG2      VAL  22  -5.667  -0.999   0.382
  153   2HG2  VAL  22          2HG2      VAL  22  -5.074  -2.065   1.657
  154   3HG2  VAL  22          3HG2      VAL  22  -4.572  -2.324  -0.015
  155    H    THR  23           H        THR  23  -7.185  -4.442   2.717
  156    HA   THR  23           HA       THR  23  -6.367  -2.785   4.998
  157    HB   THR  23           HB       THR  23  -7.518  -4.293   6.569
  158    HG1  THR  23           HG1      THR  23  -9.133  -5.720   5.634
  159   1HG2  THR  23          1HG2      THR  23  -9.352  -3.075   4.502
  160   2HG2  THR  23          2HG2      THR  23  -9.809  -3.521   6.145
  161   3HG2  THR  23          3HG2      THR  23  -8.634  -2.233   5.876
  162    HA   PRO  24           HA       PRO  24  -3.023  -5.502   5.934
  163   1HB   PRO  24          1HB       PRO  24  -4.509  -6.762   8.191
  164   2HB   PRO  24          2HB       PRO  24  -2.897  -6.040   8.170
  165   1HG   PRO  24          1HG       PRO  24  -4.949  -4.738   9.255
  166   2HG   PRO  24          2HG       PRO  24  -3.719  -3.875   8.313
  167   1HD   PRO  24          1HD       PRO  24  -6.502  -4.637   7.553
  168   2HD   PRO  24          2HD       PRO  24  -5.565  -3.194   7.115
  169    H    SER  25           H        SER  25  -6.173  -7.104   6.165
  170    HA   SER  25           HA       SER  25  -5.017  -9.656   5.377
  171   1HB   SER  25          1HB       SER  25  -7.881  -8.894   6.005
  172   2HB   SER  25          2HB       SER  25  -7.308 -10.532   5.690
  173    HG   SER  25           HG       SER  25  -7.449 -10.021   7.940
  174    H    GLN  26           H        GLN  26  -7.191  -7.183   4.095
  175    HA   GLN  26           HA       GLN  26  -7.921  -8.560   1.742
  176   1HB   GLN  26          1HB       GLN  26  -7.796  -5.584   2.261
  177   2HB   GLN  26          2HB       GLN  26  -8.623  -6.346   0.909
  178   1HG   GLN  26          1HG       GLN  26 -10.126  -7.479   2.465
  179   2HG   GLN  26          2HG       GLN  26  -9.295  -6.716   3.821
  180   2HE2  GLN  26          2HE2      GLN  26  -8.932  -4.214   2.338
  181   1HE2  GLN  26          1HE2      GLN  26 -10.474  -3.436   2.342
  182    H    CYS  27           H        CYS  27  -5.114  -6.723   2.626
  183    HA   CYS  27           HA       CYS  27  -4.169  -6.574  -0.127
  184   1HB   CYS  27          1HB       CYS  27  -3.815  -4.632   1.322
  185   2HB   CYS  27          2HB       CYS  27  -2.904  -5.626   2.454
  186    H    ALA  28           H        ALA  28  -3.027  -7.903   2.979
  187    HA   ALA  28           HA       ALA  28  -0.837  -9.318   1.985
  188   1HB   ALA  28          1HB       ALA  28  -2.579 -10.031   4.342
  189   2HB   ALA  28          2HB       ALA  28  -1.217  -8.911   4.370
  190   3HB   ALA  28          3HB       ALA  28  -0.945 -10.621   4.039
  191    H    ASN  29           H        ASN  29  -4.202  -9.938   1.703
  192    HA   ASN  29           HA       ASN  29  -4.052 -12.752   1.266
  193   1HB   ASN  29          1HB       ASN  29  -6.144 -11.681   1.951
  194   2HB   ASN  29          2HB       ASN  29  -6.175 -10.753   0.454
  195   2HD2  ASN  29          2HD2      ASN  29  -8.119 -12.639   1.524
  196   1HD2  ASN  29          1HD2      ASN  29  -8.311 -13.863   0.320
  197    H    LYS  30           H        LYS  30  -3.604  -9.935  -0.710
  198    HA   LYS  30           HA       LYS  30  -3.660 -11.494  -3.176
  199   1HB   LYS  30          1HB       LYS  30  -4.729  -9.295  -3.192
  200   2HB   LYS  30          2HB       LYS  30  -3.217  -8.540  -2.709
  201   1HG   LYS  30          1HG       LYS  30  -2.193  -9.255  -4.814
  202   2HG   LYS  30          2HG       LYS  30  -3.720  -9.995  -5.298
  203   1HD   LYS  30          1HD       LYS  30  -3.272  -7.066  -4.723
  204   2HD   LYS  30          2HD       LYS  30  -3.439  -7.794  -6.322
  205   1HE   LYS  30          1HE       LYS  30  -5.706  -8.516  -5.755
  206   2HE   LYS  30          2HE       LYS  30  -5.538  -7.795  -4.155
  207   1HZ   LYS  30          1HZ       LYS  30  -5.445  -6.322  -6.732
  208   2HZ   LYS  30          2HZ       LYS  30  -6.748  -6.343  -5.653
  209   3HZ   LYS  30          3HZ       LYS  30  -5.284  -5.630  -5.197
  210    H    GLY  31           H        GLY  31  -1.421 -10.157  -0.910
  211   1HA   GLY  31          1HA       GLY  31   0.792 -11.149  -2.583
  212   2HA   GLY  31          2HA       GLY  31   0.826 -11.021  -0.832
  213    H    CYS  32           H        CYS  32  -0.397  -8.329  -0.900
  214    HA   CYS  32           HA       CYS  32   1.834  -6.788  -2.045
  215   1HB   CYS  32          1HB       CYS  32  -0.914  -5.825  -1.221
  216   2HB   CYS  32          2HB       CYS  32   0.337  -4.852  -1.985
  217    H    CYS  33           H        CYS  33   1.905  -4.538  -0.718
  218    HA   CYS  33           HA       CYS  33   2.286  -5.284   2.105
  219   1HB   CYS  33          1HB       CYS  33   3.621  -3.112   0.475
  220   2HB   CYS  33          2HB       CYS  33   3.870  -3.364   2.199
  221    H    PHE  34           H        PHE  34   1.180  -4.227   3.653
  222    HA   PHE  34           HA       PHE  34  -0.633  -2.091   2.767
  223   1HB   PHE  34          1HB       PHE  34  -1.680  -4.109   3.748
  224   2HB   PHE  34          2HB       PHE  34  -0.796  -3.823   5.243
  225    HD1  PHE  34           HD1      PHE  34  -1.239  -1.670   6.502
  226    HD2  PHE  34           HD2      PHE  34  -3.728  -3.069   3.346
  227    HE1  PHE  34           HE1      PHE  34  -3.060  -0.220   7.300
  228    HE2  PHE  34           HE2      PHE  34  -5.552  -1.622   4.137
  229    HZ   PHE  34           HZ       PHE  34  -5.219  -0.193   6.115
  230    H    ASP  35           H        ASP  35   0.193  -0.137   3.124
  231    HA   ASP  35           HA       ASP  35   1.355   0.410   5.772
  232   1HB   ASP  35          1HB       ASP  35   3.168   0.313   4.130
  233   2HB   ASP  35          2HB       ASP  35   2.332   1.487   3.117
  234    H    ASP  36           H        ASP  36  -0.576   1.285   6.523
  235    HA   ASP  36           HA       ASP  36  -1.787   3.495   5.072
  236   1HB   ASP  36          1HB       ASP  36  -3.483   3.451   6.858
  237   2HB   ASP  36          2HB       ASP  36  -3.262   1.860   6.136
  238    H    THR  37           H        THR  37   0.527   4.480   5.475
  239    HA   THR  37           HA       THR  37   0.420   6.043   7.973
  240    HB   THR  37           HB       THR  37   2.848   6.377   7.740
  241    HG1  THR  37           HG1      THR  37   2.405   4.900   5.383
  242   1HG2  THR  37          1HG2      THR  37   2.018   3.474   7.668
  243   2HG2  THR  37          2HG2      THR  37   3.550   4.089   8.288
  244   3HG2  THR  37          3HG2      THR  37   2.039   4.511   9.093
  245    H    VAL  38           H        VAL  38   0.845   6.149   4.494
  246    HA   VAL  38           HA       VAL  38   0.685   9.090   4.615
  247    HB   VAL  38           HB       VAL  38   2.013   7.412   2.481
  248   1HG1  VAL  38          1HG1      VAL  38   1.805  10.407   2.778
  249   2HG1  VAL  38          2HG1      VAL  38   2.758   9.560   1.559
  250   3HG1  VAL  38          3HG1      VAL  38   0.999   9.421   1.558
  251   1HG2  VAL  38          1HG2      VAL  38   3.202   9.215   4.586
  252   2HG2  VAL  38          2HG2      VAL  38   3.314   7.455   4.533
  253   3HG2  VAL  38          3HG2      VAL  38   4.098   8.428   3.287
  254    H    ARG  39           H        ARG  39  -1.162   9.884   3.879
  255    HA   ARG  39           HA       ARG  39  -3.060   8.257   2.490
  256   1HB   ARG  39          1HB       ARG  39  -3.082  11.226   3.070
  257   2HB   ARG  39          2HB       ARG  39  -4.450  10.298   2.470
  258   1HG   ARG  39          1HG       ARG  39  -4.462   8.974   4.518
  259   2HG   ARG  39          2HG       ARG  39  -3.076   9.886   5.118
  260   1HD   ARG  39          1HD       ARG  39  -4.403  11.942   5.049
  261   2HD   ARG  39          2HD       ARG  39  -5.786  11.029   4.448
  262    HE   ARG  39           HE       ARG  39  -5.091   9.793   6.789
  263   1HH1  ARG  39          1HH1      ARG  39  -5.973  13.029   5.857
  264   2HH1  ARG  39          2HH1      ARG  39  -6.691  13.413   7.385
  265   1HH2  ARG  39          1HH2      ARG  39  -6.035  10.286   8.805
  266   2HH2  ARG  39          2HH2      ARG  39  -6.727  11.854   9.062
  267    H    GLY  40           H        GLY  40  -4.243   9.500   0.556
  268   1HA   GLY  40          1HA       GLY  40  -2.632  10.943  -1.270
  269   2HA   GLY  40          2HA       GLY  40  -4.148  10.138  -1.649
  270    H    VAL  41           H        VAL  41  -1.438   8.403  -0.305
  271    HA   VAL  41           HA       VAL  41  -0.734   7.346  -2.946
  272    HB   VAL  41           HB       VAL  41   1.235   6.384  -1.866
  273   1HG1  VAL  41          1HG1      VAL  41   0.818   9.292  -1.177
  274   2HG1  VAL  41          2HG1      VAL  41   2.377   8.474  -1.277
  275   3HG1  VAL  41          3HG1      VAL  41   1.382   8.656  -2.722
  276   1HG2  VAL  41          1HG2      VAL  41   0.151   7.622   0.664
  277   2HG2  VAL  41          2HG2      VAL  41   0.277   5.897   0.318
  278   3HG2  VAL  41          3HG2      VAL  41   1.737   6.872   0.486
  279    HA   PRO  42           HA       PRO  42  -2.639   3.431  -2.311
  280   1HB   PRO  42          1HB       PRO  42  -0.827   1.719  -3.395
  281   2HB   PRO  42          2HB       PRO  42  -1.836   2.796  -4.368
  282   1HG   PRO  42          1HG       PRO  42   1.012   3.132  -3.507
  283   2HG   PRO  42          2HG       PRO  42   0.275   3.457  -5.087
  284   1HD   PRO  42          1HD       PRO  42   0.807   5.418  -3.301
  285   2HD   PRO  42          2HD       PRO  42  -0.576   5.492  -4.412
  286    H    TRP  43           H        TRP  43  -2.868   2.488  -0.386
  287    HA   TRP  43           HA       TRP  43  -0.697   2.177   1.443
  288   1HB   TRP  43          1HB       TRP  43  -3.519   1.091   1.581
  289   2HB   TRP  43          2HB       TRP  43  -2.369   1.123   2.913
  290    HD1  TRP  43           HD1      TRP  43  -1.767   4.281   1.339
  291    HE1  TRP  43           HE1      TRP  43  -3.139   6.181   2.404
  292    HE3  TRP  43           HE3      TRP  43  -5.181   1.475   3.910
  293    HZ2  TRP  43           HZ2      TRP  43  -5.372   6.454   4.109
  294    HZ3  TRP  43           HZ3      TRP  43  -6.902   2.632   5.234
  295    HH2  TRP  43           HH2      TRP  43  -6.994   5.070   5.330
  296    H    CYS  44           H        CYS  44  -2.245   0.147  -0.908
  297    HA   CYS  44           HA       CYS  44  -0.670  -2.152   0.045
  298   1HB   CYS  44          1HB       CYS  44  -3.108  -2.518   0.065
  299   2HB   CYS  44          2HB       CYS  44  -3.172  -2.152  -1.655
  300    H    PHE  45           H        PHE  45   1.226  -1.846  -1.052
  301    HA   PHE  45           HA       PHE  45   1.046  -1.875  -3.993
  302   1HB   PHE  45          1HB       PHE  45   3.171  -0.622  -4.049
  303   2HB   PHE  45          2HB       PHE  45   1.899   0.282  -3.231
  304    HD1  PHE  45           HD1      PHE  45   1.971   0.627  -0.823
  305    HD2  PHE  45           HD2      PHE  45   5.092  -1.427  -2.858
  306    HE1  PHE  45           HE1      PHE  45   3.428   0.903   1.142
  307    HE2  PHE  45           HE2      PHE  45   6.555  -1.157  -0.899
  308    HZ   PHE  45           HZ       PHE  45   5.723   0.009   1.106
  309    H    TYR  46           H        TYR  46   3.637  -2.360  -4.645
  310    HA   TYR  46           HA       TYR  46   3.939  -5.126  -3.806
  311   1HB   TYR  46          1HB       TYR  46   5.416  -3.515  -5.899
  312   2HB   TYR  46          2HB       TYR  46   5.640  -5.237  -5.606
  313    HD1  TYR  46           HD1      TYR  46   3.533  -2.700  -7.130
  314    HD2  TYR  46           HD2      TYR  46   3.831  -6.830  -6.156
  315    HE1  TYR  46           HE1      TYR  46   1.710  -3.196  -8.703
  316    HE2  TYR  46           HE2      TYR  46   2.009  -7.338  -7.726
  317    HH   TYR  46           HH       TYR  46   0.874  -5.105 -10.011
  318    HA   PRO  47           HA       PRO  47   7.179  -4.323  -0.921
  319   1HB   PRO  47          1HB       PRO  47   8.364  -6.760  -0.891
  320   2HB   PRO  47          2HB       PRO  47   6.793  -6.452  -0.139
  321   1HG   PRO  47          1HG       PRO  47   7.413  -7.674  -2.801
  322   2HG   PRO  47          2HG       PRO  47   6.222  -8.180  -1.588
  323   1HD   PRO  47          1HD       PRO  47   5.550  -6.752  -3.792
  324   2HD   PRO  47          2HD       PRO  47   4.690  -6.591  -2.248
  325    H    ASN  48           H        ASN  48   9.667  -5.628  -0.946
  326    HA   ASN  48           HA       ASN  48  10.909  -4.764  -3.463
  327   1HB   ASN  48          1HB       ASN  48  11.892  -4.025  -0.698
  328   2HB   ASN  48          2HB       ASN  48  12.731  -3.676  -2.206
  329   2HD2  ASN  48          2HD2      ASN  48  11.735  -1.866  -0.152
  330   1HD2  ASN  48          1HD2      ASN  48  10.650  -0.786  -0.951
  331    H    THR  49           H        THR  49  12.788  -5.854  -4.038
  332    HA   THR  49           HA       THR  49  13.469  -8.181  -2.359
  333    HB   THR  49           HB       THR  49  14.077  -9.386  -4.424
  334    HG1  THR  49           HG1      THR  49  13.490  -6.910  -5.535
  335   1HG2  THR  49          1HG2      THR  49  11.834  -9.674  -3.487
  336   2HG2  THR  49          2HG2      THR  49  11.255  -8.310  -4.444
  337   3HG2  THR  49          3HG2      THR  49  11.804  -9.781  -5.248
  338    H    ILE  50           H        ILE  50  15.096  -6.901  -1.325
  339    HA   ILE  50           HA       ILE  50  17.321  -6.018  -3.012
  340    HB   ILE  50           HB       ILE  50  16.821  -5.545  -0.071
  341   1HG1  ILE  50          1HG1      ILE  50  16.523  -3.709  -2.459
  342   2HG1  ILE  50          2HG1      ILE  50  15.205  -4.390  -1.510
  343   1HG2  ILE  50          1HG2      ILE  50  19.195  -5.549  -0.592
  344   2HG2  ILE  50          2HG2      ILE  50  18.924  -4.406  -1.909
  345   3HG2  ILE  50          3HG2      ILE  50  18.643  -3.911  -0.239
  346   1HD1  ILE  50          1HD1      ILE  50  17.294  -2.471  -0.506
  347   2HD1  ILE  50          2HD1      ILE  50  15.624  -2.076  -0.913
  348   3HD1  ILE  50          3HD1      ILE  50  15.973  -3.149   0.443
  349    H    ASP  51           H        ASP  51  19.536  -6.457  -2.261
  350    HA   ASP  51           HA       ASP  51  19.808  -9.247  -1.504
  351   1HB   ASP  51          1HB       ASP  51  21.891  -7.212  -2.330
  352   2HB   ASP  51          2HB       ASP  51  22.192  -8.928  -2.068
  353    H    VAL  52           H        VAL  52  21.420  -9.901   0.114
  354    HA   VAL  52           HA       VAL  52  22.221  -7.992   2.114
  355    HB   VAL  52           HB       VAL  52  20.184 -10.098   2.855
  356   1HG1  VAL  52          1HG1      VAL  52  21.866  -9.793   4.589
  357   2HG1  VAL  52          2HG1      VAL  52  21.600  -8.051   4.559
  358   3HG1  VAL  52          3HG1      VAL  52  20.315  -9.129   5.101
  359   1HG2  VAL  52          1HG2      VAL  52  19.161  -8.201   1.721
  360   2HG2  VAL  52          2HG2      VAL  52  18.744  -8.198   3.435
  361   3HG2  VAL  52          3HG2      VAL  52  19.971  -7.088   2.823
  362    HA   PRO  53           HA       PRO  53  24.757 -11.864   1.969
  363   1HB   PRO  53          1HB       PRO  53  26.885 -10.996   0.628
  364   2HB   PRO  53          2HB       PRO  53  25.396 -11.428  -0.223
  365   1HG   PRO  53          1HG       PRO  53  26.485  -8.733   0.444
  366   2HG   PRO  53          2HG       PRO  53  25.613  -9.265  -1.004
  367   1HD   PRO  53          1HD       PRO  53  24.507  -7.911   1.193
  368   2HD   PRO  53          2HD       PRO  53  23.603  -8.753  -0.080
  369    HA   PRO  54           HA       PRO  54  26.744  -9.392   5.404
  370   1HB   PRO  54          1HB       PRO  54  26.003 -11.042   7.416
  371   2HB   PRO  54          2HB       PRO  54  24.957  -9.751   6.813
  372   1HG   PRO  54          1HG       PRO  54  24.905 -12.679   6.187
  373   2HG   PRO  54          2HG       PRO  54  23.553 -11.587   6.536
  374   1HD   PRO  54          1HD       PRO  54  24.230 -12.317   4.013
  375   2HD   PRO  54          2HD       PRO  54  23.523 -10.735   4.397
  376    H    GLU  55           H        GLU  55  28.521 -10.435   3.968
  377    HA   GLU  55           HA       GLU  55  29.895 -12.444   5.613
  378   1HB   GLU  55          1HB       GLU  55  29.733 -12.470   2.594
  379   2HB   GLU  55          2HB       GLU  55  30.717 -13.553   3.568
  380   1HG   GLU  55          1HG       GLU  55  27.712 -13.381   3.603
  381   2HG   GLU  55          2HG       GLU  55  28.675 -14.637   2.827
  382    H    GLU  56           H        GLU  56  30.811 -10.977   2.527
  383    HA   GLU  56           HA       GLU  56  33.101  -9.734   3.898
  384   1HB   GLU  56          1HB       GLU  56  34.283  -9.870   1.746
  385   2HB   GLU  56          2HB       GLU  56  33.769 -11.455   2.307
  386   1HG   GLU  56          1HG       GLU  56  33.414 -11.214  -0.078
  387   2HG   GLU  56          2HG       GLU  56  31.881 -11.400   0.771
  388    H    GLU  57           H        GLU  57  30.482  -8.535   3.670
  389    HA   GLU  57           HA       GLU  57  30.763  -6.479   1.632
  390   1HB   GLU  57          1HB       GLU  57  28.551  -7.444   2.017
  391   2HB   GLU  57          2HB       GLU  57  28.607  -6.939   3.701
  392   1HG   GLU  57          1HG       GLU  57  27.218  -5.449   2.391
  393   2HG   GLU  57          2HG       GLU  57  28.635  -4.604   3.012
  394    H    CYS  58           H        CYS  58  32.811  -5.772   2.741
  395    HA   CYS  58           HA       CYS  58  32.375  -4.168   5.139
  396   1HB   CYS  58          1HB       CYS  58  34.376  -5.538   5.112
  397   2HB   CYS  58          2HB       CYS  58  34.891  -4.817   3.592
  398    H    GLU  59           H        GLU  59  33.731  -2.012   5.067
  399    HA   GLU  59           HA       GLU  59  33.001  -0.590   2.590
  400   1HB   GLU  59          1HB       GLU  59  32.928   0.462   5.424
  401   2HB   GLU  59          2HB       GLU  59  32.582   1.405   3.980
  402   1HG   GLU  59          1HG       GLU  59  31.020  -0.976   4.954
  403   2HG   GLU  59          2HG       GLU  59  30.541   0.714   5.103
  404    H    PHE  60           H        PHE  60  35.542  -1.735   4.215
  405    HA   PHE  60           HA       PHE  60  37.254   0.566   3.531
  406   1HB   PHE  60          1HB       PHE  60  37.708  -1.540   5.657
  407   2HB   PHE  60          2HB       PHE  60  38.826  -0.241   5.254
  408    HD1  PHE  60           HD1      PHE  60  35.690  -1.110   6.899
  409    HD2  PHE  60           HD2      PHE  60  38.350   2.052   5.881
  410    HE1  PHE  60           HE1      PHE  60  34.557   0.359   8.516
  411    HE2  PHE  60           HE2      PHE  60  37.222   3.526   7.496
  412    HZ   PHE  60           HZ       PHE  60  35.323   2.680   8.816
  413    H1   GLU   1           H1       GLU   1  30.682  -3.409  18.660
  414    H2   GLU   1           H2       GLU   1  31.985  -3.583  17.596
  415    H3   GLU   1           H3       GLU   1  31.137  -2.119  17.665
  416    HA   GLU   1           HA       GLU   1  29.151  -3.190  16.832
  417   1HB   GLU   1          1HB       GLU   1  29.937  -3.584  14.535
  418   2HB   GLU   1          2HB       GLU   1  30.678  -2.152  15.235
  419   1HG   GLU   1          1HG       GLU   1  32.710  -3.427  15.694
  420   2HG   GLU   1          2HG       GLU   1  31.967  -4.861  14.989
  421    H    ALA   2           H        ALA   2  31.892  -5.398  16.237
  422    HA   ALA   2           HA       ALA   2  30.257  -7.637  17.155
  423   1HB   ALA   2          1HB       ALA   2  30.700  -8.955  15.153
  424   2HB   ALA   2          2HB       ALA   2  31.543  -7.587  14.427
  425   3HB   ALA   2          3HB       ALA   2  29.814  -7.485  14.754
  426    H    GLN   3           H        GLN   3  31.911  -7.305  18.873
  427    HA   GLN   3           HA       GLN   3  34.271  -8.934  18.273
  428   1HB   GLN   3          1HB       GLN   3  34.333  -6.317  19.785
  429   2HB   GLN   3          2HB       GLN   3  35.687  -7.429  19.633
  430   1HG   GLN   3          1HG       GLN   3  35.910  -5.577  18.089
  431   2HG   GLN   3          2HG       GLN   3  35.698  -7.095  17.218
  432   2HE2  GLN   3          2HE2      GLN   3  33.076  -5.457  18.816
  433   1HE2  GLN   3          1HE2      GLN   3  32.242  -4.968  17.385
  434    H    THR   4           H        THR   4  35.423  -9.519  20.405
  435    HA   THR   4           HA       THR   4  33.364 -10.142  22.421
  436    HB   THR   4           HB       THR   4  34.650 -12.179  22.955
  437    HG1  THR   4           HG1      THR   4  36.406 -12.753  21.706
  438   1HG2  THR   4          1HG2      THR   4  32.801 -12.314  21.356
  439   2HG2  THR   4          2HG2      THR   4  33.911 -11.949  20.035
  440   3HG2  THR   4          3HG2      THR   4  34.082 -13.452  20.940
  441    H    GLU   5           H        GLU   5  35.185 -11.265  24.288
  442    HA   GLU   5           HA       GLU   5  36.528  -8.812  25.206
  443   1HB   GLU   5          1HB       GLU   5  35.472 -11.146  26.813
  444   2HB   GLU   5          2HB       GLU   5  36.295  -9.745  27.483
  445   1HG   GLU   5          1HG       GLU   5  33.680  -9.703  25.995
  446   2HG   GLU   5          2HG       GLU   5  33.879  -9.584  27.743
  447    H    THR   6           H        THR   6  38.610  -8.897  26.022
  448    HA   THR   6           HA       THR   6  40.040 -11.430  26.033
  449    HB   THR   6           HB       THR   6  40.898  -9.148  24.241
  450    HG1  THR   6           HG1      THR   6  40.632 -10.878  22.628
  451   1HG2  THR   6          1HG2      THR   6  42.205 -11.815  24.793
  452   2HG2  THR   6          2HG2      THR   6  42.732 -10.647  23.583
  453   3HG2  THR   6          3HG2      THR   6  42.810 -10.236  25.295
  454    H    CYS   7           H        CYS   7  42.157 -11.272  27.020
  455    HA   CYS   7           HA       CYS   7  42.452  -8.863  28.691
  456   1HB   CYS   7          1HB       CYS   7  42.943 -11.742  29.473
  457   2HB   CYS   7          2HB       CYS   7  43.337 -10.350  30.476
  458    H    THR   8           H        THR   8  43.862 -10.773  26.342
  459    HA   THR   8           HA       THR   8  46.591 -10.621  27.185
  460    HB   THR   8           HB       THR   8  45.868 -12.362  25.620
  461    HG1  THR   8           HG1      THR   8  47.534 -11.680  23.891
  462   1HG2  THR   8          1HG2      THR   8  45.428 -10.070  23.703
  463   2HG2  THR   8          2HG2      THR   8  45.396 -11.779  23.269
  464   3HG2  THR   8          3HG2      THR   8  44.187 -11.127  24.374
  465    H    VAL   9           H        VAL   9  46.784  -8.377  27.707
  466    HA   VAL   9           HA       VAL   9  47.233  -6.703  25.326
  467    HB   VAL   9           HB       VAL   9  46.105  -5.761  27.967
  468   1HG1  VAL   9          1HG1      VAL   9  46.735  -4.229  25.446
  469   2HG1  VAL   9          2HG1      VAL   9  45.909  -3.578  26.861
  470   3HG1  VAL   9          3HG1      VAL   9  47.587  -4.104  26.984
  471   1HG2  VAL   9          1HG2      VAL   9  44.837  -5.981  25.238
  472   2HG2  VAL   9          2HG2      VAL   9  44.441  -6.943  26.662
  473   3HG2  VAL   9          3HG2      VAL   9  44.099  -5.213  26.645
  474    H    ALA  10           H        ALA  10  48.560  -4.664  26.061
  475    HA   ALA  10           HA       ALA  10  51.003  -5.697  27.216
  476   1HB   ALA  10          1HB       ALA  10  50.394  -2.961  26.103
  477   2HB   ALA  10          2HB       ALA  10  51.991  -3.581  26.525
  478   3HB   ALA  10          3HB       ALA  10  51.084  -4.310  25.201
  479    HA   PRO  11           HA       PRO  11  50.236  -4.596  31.439
  480   1HB   PRO  11          1HB       PRO  11  53.137  -3.883  31.216
  481   2HB   PRO  11          2HB       PRO  11  52.300  -4.797  32.477
  482   1HG   PRO  11          1HG       PRO  11  53.726  -6.049  30.602
  483   2HG   PRO  11          2HG       PRO  11  52.202  -6.728  31.201
  484   1HD   PRO  11          1HD       PRO  11  52.804  -5.448  28.596
  485   2HD   PRO  11          2HD       PRO  11  51.574  -6.659  29.004
  486    H    ARG  12           H        ARG  12  52.747  -2.451  30.096
  487    HA   ARG  12           HA       ARG  12  51.970  -0.157  31.446
  488   1HB   ARG  12          1HB       ARG  12  53.239   1.089  29.739
  489   2HB   ARG  12          2HB       ARG  12  54.114  -0.322  30.316
  490   1HG   ARG  12          1HG       ARG  12  52.572  -0.149  27.735
  491   2HG   ARG  12          2HG       ARG  12  54.326  -0.047  27.903
  492   1HD   ARG  12          1HD       ARG  12  52.602  -2.412  28.633
  493   2HD   ARG  12          2HD       ARG  12  53.640  -2.283  27.213
  494    HE   ARG  12           HE       ARG  12  55.126  -1.869  29.593
  495   1HH1  ARG  12          1HH1      ARG  12  53.626  -4.359  27.674
  496   2HH1  ARG  12          2HH1      ARG  12  54.700  -5.605  28.217
  497   1HH2  ARG  12          1HH2      ARG  12  56.545  -3.502  30.315
  498   2HH2  ARG  12          2HH2      ARG  12  56.359  -5.118  29.719
  499    H    GLU  13           H        GLU  13  50.681  -1.585  28.541
  500    HA   GLU  13           HA       GLU  13  49.024   0.757  27.998
  501   1HB   GLU  13          1HB       GLU  13  49.285  -1.860  26.504
  502   2HB   GLU  13          2HB       GLU  13  48.323  -0.484  25.982
  503   1HG   GLU  13          1HG       GLU  13  50.344   0.871  25.811
  504   2HG   GLU  13          2HG       GLU  13  51.311  -0.505  26.340
  505    H    ARG  14           H        ARG  14  48.707  -1.084  30.363
  506    HA   ARG  14           HA       ARG  14  46.039  -2.174  29.842
  507   1HB   ARG  14          1HB       ARG  14  47.852  -2.506  32.240
  508   2HB   ARG  14          2HB       ARG  14  46.294  -3.294  32.024
  509   1HG   ARG  14          1HG       ARG  14  47.160  -4.467  30.061
  510   2HG   ARG  14          2HG       ARG  14  48.723  -3.680  30.285
  511   1HD   ARG  14          1HD       ARG  14  48.938  -4.739  32.482
  512   2HD   ARG  14          2HD       ARG  14  47.376  -5.525  32.255
  513    HE   ARG  14           HE       ARG  14  48.898  -6.267  30.089
  514   1HH1  ARG  14          1HH1      ARG  14  49.137  -6.546  33.551
  515   2HH1  ARG  14          2HH1      ARG  14  50.033  -8.027  33.500
  516   1HH2  ARG  14          1HH2      ARG  14  50.076  -8.218  30.009
  517   2HH2  ARG  14          2HH2      ARG  14  50.568  -8.977  31.486
  518    H    GLN  15           H        GLN  15  44.224  -1.493  30.912
  519    HA   GLN  15           HA       GLN  15  44.388   1.148  32.106
  520   1HB   GLN  15          1HB       GLN  15  41.993  -0.565  31.417
  521   2HB   GLN  15          2HB       GLN  15  41.919   1.094  31.995
  522   1HG   GLN  15          1HG       GLN  15  43.182   0.174  29.422
  523   2HG   GLN  15          2HG       GLN  15  41.620   0.974  29.586
  524   2HE2  GLN  15          2HE2      GLN  15  43.998   1.787  28.100
  525   1HE2  GLN  15          1HE2      GLN  15  44.428   3.348  28.704
  526    H    ASN  16           H        ASN  16  45.475   0.449  34.055
  527    HA   ASN  16           HA       ASN  16  45.042  -1.298  35.941
  528   1HB   ASN  16          1HB       ASN  16  46.378   0.754  36.289
  529   2HB   ASN  16          2HB       ASN  16  44.894   1.665  36.543
  530   2HD2  ASN  16          2HD2      ASN  16  43.615  -0.519  37.992
  531   1HD2  ASN  16          1HD2      ASN  16  44.348  -0.550  39.555
  532    H    CYS  17           H        CYS  17  43.521  -2.039  37.350
  533    HA   CYS  17           HA       CYS  17  40.912  -0.688  37.386
  534   1HB   CYS  17          1HB       CYS  17  40.725  -2.512  35.786
  535   2HB   CYS  17          2HB       CYS  17  41.386  -3.645  36.960
  536    H    GLY  18           H        GLY  18  43.456  -1.627  39.119
  537   1HA   GLY  18          1HA       GLY  18  42.823  -3.113  41.266
  538   2HA   GLY  18          2HA       GLY  18  41.945  -1.625  41.591
  539    H    PHE  19           H        PHE  19  44.426  -3.068  42.725
  540    HA   PHE  19           HA       PHE  19  46.066  -0.637  42.903
  541   1HB   PHE  19          1HB       PHE  19  46.933  -1.626  45.021
  542   2HB   PHE  19          2HB       PHE  19  45.203  -1.309  45.048
  543    HD1  PHE  19           HD1      PHE  19  43.655  -3.297  44.499
  544    HD2  PHE  19           HD2      PHE  19  47.741  -3.709  45.616
  545    HE1  PHE  19           HE1      PHE  19  43.234  -5.626  45.168
  546    HE2  PHE  19           HE2      PHE  19  47.327  -6.041  46.284
  547    HZ   PHE  19           HZ       PHE  19  45.070  -7.002  46.061
  548    HA   PRO  20           HA       PRO  20  49.680  -2.384  41.176
  549   1HB   PRO  20          1HB       PRO  20  51.611  -2.163  43.110
  550   2HB   PRO  20          2HB       PRO  20  51.032  -0.809  42.133
  551   1HG   PRO  20          1HG       PRO  20  50.261  -1.608  44.911
  552   2HG   PRO  20          2HG       PRO  20  50.567   0.010  44.255
  553   1HD   PRO  20          1HD       PRO  20  48.070  -0.917  44.637
  554   2HD   PRO  20          2HD       PRO  20  48.475   0.144  43.272
  555    H    GLY  21           H        GLY  21  48.376  -3.830  43.961
  556   1HA   GLY  21          1HA       GLY  21  49.579  -5.769  45.056
  557   2HA   GLY  21          2HA       GLY  21  49.928  -6.282  43.411
  558    H    VAL  22           H        VAL  22  47.257  -5.417  42.470
  559    HA   VAL  22           HA       VAL  22  45.131  -6.528  43.804
  560    HB   VAL  22           HB       VAL  22  44.035  -6.836  41.625
  561   1HG1  VAL  22          1HG1      VAL  22  45.635  -4.290  41.851
  562   2HG1  VAL  22          2HG1      VAL  22  44.196  -4.508  40.856
  563   3HG1  VAL  22          3HG1      VAL  22  44.079  -4.619  42.613
  564   1HG2  VAL  22          1HG2      VAL  22  46.751  -6.187  40.486
  565   2HG2  VAL  22          2HG2      VAL  22  45.900  -7.726  40.358
  566   3HG2  VAL  22          3HG2      VAL  22  45.255  -6.292  39.558
  567    H    THR  23           H        THR  23  43.934  -8.527  43.372
  568    HA   THR  23           HA       THR  23  45.638 -10.806  42.641
  569    HB   THR  23           HB       THR  23  44.757 -12.103  44.547
  570    HG1  THR  23           HG1      THR  23  43.188 -11.311  45.719
  571   1HG2  THR  23          1HG2      THR  23  46.916 -10.971  44.771
  572   2HG2  THR  23          2HG2      THR  23  46.100  -9.525  45.366
  573   3HG2  THR  23          3HG2      THR  23  46.060 -11.012  46.312
  574    HA   PRO  24           HA       PRO  24  42.243 -12.750  40.590
  575   1HB   PRO  24          1HB       PRO  24  41.586 -14.931  42.200
  576   2HB   PRO  24          2HB       PRO  24  42.818 -14.918  40.936
  577   1HG   PRO  24          1HG       PRO  24  43.124 -14.599  43.886
  578   2HG   PRO  24          2HG       PRO  24  44.177 -15.436  42.729
  579   1HD   PRO  24          1HD       PRO  24  44.823 -13.030  43.708
  580   2HD   PRO  24          2HD       PRO  24  45.175 -13.462  42.021
  581    H    SER  25           H        SER  25  41.724 -12.697  44.109
  582    HA   SER  25           HA       SER  25  38.864 -12.466  43.813
  583   1HB   SER  25          1HB       SER  25  38.855 -12.273  46.275
  584   2HB   SER  25          2HB       SER  25  39.791 -13.666  45.735
  585    HG   SER  25           HG       SER  25  40.590 -11.663  47.266
  586    H    GLN  26           H        GLN  26  41.520 -10.352  44.849
  587    HA   GLN  26           HA       GLN  26  40.025  -8.086  45.471
  588   1HB   GLN  26          1HB       GLN  26  42.808  -8.234  44.299
  589   2HB   GLN  26          2HB       GLN  26  42.108  -6.821  45.074
  590   1HG   GLN  26          1HG       GLN  26  42.632  -9.473  46.396
  591   2HG   GLN  26          2HG       GLN  26  43.615  -8.018  46.565
  592   2HE2  GLN  26          2HE2      GLN  26  41.258  -6.281  46.560
  593   1HE2  GLN  26          1HE2      GLN  26  40.542  -6.451  48.122
  594    H    CYS  27           H        CYS  27  41.249  -9.230  42.371
  595    HA   CYS  27           HA       CYS  27  40.518  -6.879  40.925
  596   1HB   CYS  27          1HB       CYS  27  42.302  -8.411  40.165
  597   2HB   CYS  27          2HB       CYS  27  41.097  -9.666  39.900
  598    H    ALA  28           H        ALA  28  39.165 -10.181  40.998
  599    HA   ALA  28           HA       ALA  28  36.959  -9.848  39.411
  600   1HB   ALA  28          1HB       ALA  28  37.608 -11.986  40.413
  601   2HB   ALA  28          2HB       ALA  28  35.901 -11.637  40.685
  602   3HB   ALA  28          3HB       ALA  28  37.066 -11.411  41.990
  603    H    ASN  29           H        ASN  29  37.413  -8.793  42.734
  604    HA   ASN  29           HA       ASN  29  34.819  -8.089  43.416
  605   1HB   ASN  29          1HB       ASN  29  36.677  -8.015  45.007
  606   2HB   ASN  29          2HB       ASN  29  37.394  -6.668  44.130
  607   2HD2  ASN  29          2HD2      ASN  29  37.325  -5.326  45.916
  608   1HD2  ASN  29          1HD2      ASN  29  35.850  -4.655  46.513
  609    H    LYS  30           H        LYS  30  37.054  -6.553  41.243
  610    HA   LYS  30           HA       LYS  30  35.267  -4.249  40.929
  611   1HB   LYS  30          1HB       LYS  30  38.042  -4.736  39.829
  612   2HB   LYS  30          2HB       LYS  30  37.104  -3.268  39.602
  613   1HG   LYS  30          1HG       LYS  30  38.102  -4.347  42.229
  614   2HG   LYS  30          2HG       LYS  30  38.767  -2.976  41.341
  615   1HD   LYS  30          1HD       LYS  30  35.968  -3.149  42.454
  616   2HD   LYS  30          2HD       LYS  30  37.307  -2.268  43.189
  617   1HE   LYS  30          1HE       LYS  30  35.866  -0.755  41.944
  618   2HE   LYS  30          2HE       LYS  30  37.462  -0.849  41.199
  619   1HZ   LYS  30          1HZ       LYS  30  35.117  -2.414  40.273
  620   2HZ   LYS  30          2HZ       LYS  30  35.578  -0.927  39.609
  621   3HZ   LYS  30          3HZ       LYS  30  36.613  -2.259  39.500
  622    H    GLY  31           H        GLY  31  36.390  -7.123  39.338
  623   1HA   GLY  31          1HA       GLY  31  34.366  -6.777  37.288
  624   2HA   GLY  31          2HA       GLY  31  35.336  -8.216  37.567
  625    H    CYS  32           H        CYS  32  37.821  -7.664  37.188
  626    HA   CYS  32           HA       CYS  32  37.937  -6.707  34.430
  627   1HB   CYS  32          1HB       CYS  32  39.804  -5.751  36.609
  628   2HB   CYS  32          2HB       CYS  32  39.998  -5.420  34.892
  629    H    CYS  33           H        CYS  33  40.301  -7.107  33.591
  630    HA   CYS  33           HA       CYS  33  40.845  -9.898  33.939
  631   1HB   CYS  33          1HB       CYS  33  42.379  -7.771  32.429
  632   2HB   CYS  33          2HB       CYS  33  42.685  -9.501  32.329
  633    H    PHE  34           H        PHE  34  42.724 -10.855  34.778
  634    HA   PHE  34           HA       PHE  34  44.380  -9.107  36.474
  635   1HB   PHE  34          1HB       PHE  34  42.790 -10.345  37.876
  636   2HB   PHE  34          2HB       PHE  34  43.350 -11.864  37.182
  637    HD1  PHE  34           HD1      PHE  34  45.393 -12.873  37.896
  638    HD2  PHE  34           HD2      PHE  34  44.233  -9.057  39.380
  639    HE1  PHE  34           HE1      PHE  34  47.122 -13.030  39.639
  640    HE2  PHE  34           HE2      PHE  34  45.959  -9.207  41.125
  641    HZ   PHE  34           HZ       PHE  34  47.407 -11.194  41.257
  642    H    ASP  35           H        ASP  35  46.515  -9.338  36.242
  643    HA   ASP  35           HA       ASP  35  47.631 -11.830  35.239
  644   1HB   ASP  35          1HB       ASP  35  47.152 -10.566  33.192
  645   2HB   ASP  35          2HB       ASP  35  48.054  -9.192  33.820
  646    H    ASP  36           H        ASP  36  48.433 -11.821  37.436
  647    HA   ASP  36           HA       ASP  36  50.326  -9.767  38.191
  648   1HB   ASP  36          1HB       ASP  36  50.571 -11.077  40.266
  649   2HB   ASP  36          2HB       ASP  36  48.882 -10.737  39.905
  650    H    THR  37           H        THR  37  51.311 -10.701  35.934
  651    HA   THR  37           HA       THR  37  53.481 -12.527  36.740
  652    HB   THR  37           HB       THR  37  53.650 -13.239  34.388
  653    HG1  THR  37           HG1      THR  37  51.866 -11.185  34.059
  654   1HG2  THR  37          1HG2      THR  37  50.876 -13.549  35.545
  655   2HG2  THR  37          2HG2      THR  37  51.591 -14.573  34.300
  656   3HG2  THR  37          3HG2      THR  37  52.275 -14.552  35.925
  657    H    VAL  38           H        VAL  38  52.750  -9.399  35.949
  658    HA   VAL  38           HA       VAL  38  55.532  -8.872  35.152
  659    HB   VAL  38           HB       VAL  38  53.107  -7.482  34.000
  660   1HG1  VAL  38          1HG1      VAL  38  54.982  -5.960  34.290
  661   2HG1  VAL  38          2HG1      VAL  38  56.046  -7.087  33.447
  662   3HG1  VAL  38          3HG1      VAL  38  54.724  -6.306  32.581
  663   1HG2  VAL  38          1HG2      VAL  38  53.406  -9.718  33.077
  664   2HG2  VAL  38          2HG2      VAL  38  53.802  -8.489  31.875
  665   3HG2  VAL  38          3HG2      VAL  38  55.092  -9.354  32.709
  666    H    ARG  39           H        ARG  39  56.358  -7.916  36.905
  667    HA   ARG  39           HA       ARG  39  54.829  -6.321  38.704
  668   1HB   ARG  39          1HB       ARG  39  57.825  -6.617  38.426
  669   2HB   ARG  39          2HB       ARG  39  57.004  -5.849  39.778
  670   1HG   ARG  39          1HG       ARG  39  55.922  -7.966  40.330
  671   2HG   ARG  39          2HG       ARG  39  56.741  -8.739  38.970
  672   1HD   ARG  39          1HD       ARG  39  58.085  -7.459  41.348
  673   2HD   ARG  39          2HD       ARG  39  57.882  -9.191  41.087
  674    HE   ARG  39           HE       ARG  39  59.222  -8.002  38.894
  675   1HH1  ARG  39          1HH1      ARG  39  59.700  -8.988  42.199
  676   2HH1  ARG  39          2HH1      ARG  39  61.399  -9.262  42.008
  677   1HH2  ARG  39          1HH2      ARG  39  61.460  -8.362  38.630
  678   2HH2  ARG  39          2HH2      ARG  39  62.400  -8.906  39.979
  679    H    GLY  40           H        GLY  40  56.283  -4.136  39.328
  680   1HA   GLY  40          1HA       GLY  40  57.174  -2.509  37.241
  681   2HA   GLY  40          2HA       GLY  40  56.535  -1.924  38.770
  682    H    VAL  41           H        VAL  41  54.327  -3.890  37.154
  683    HA   VAL  41           HA       VAL  41  52.854  -1.513  36.238
  684    HB   VAL  41           HB       VAL  41  52.009  -2.768  34.306
  685   1HG1  VAL  41          1HG1      VAL  41  53.952  -1.326  34.022
  686   2HG1  VAL  41          2HG1      VAL  41  55.020  -2.666  34.440
  687   3HG1  VAL  41          3HG1      VAL  41  54.056  -2.734  32.964
  688   1HG2  VAL  41          1HG2      VAL  41  53.930  -4.900  35.232
  689   2HG2  VAL  41          2HG2      VAL  41  52.175  -5.024  35.126
  690   3HG2  VAL  41          3HG2      VAL  41  53.139  -4.882  33.656
  691    HA   PRO  42           HA       PRO  42  49.324  -3.168  38.284
  692   1HB   PRO  42          1HB       PRO  42  47.291  -2.636  36.575
  693   2HB   PRO  42          2HB       PRO  42  48.133  -1.371  37.479
  694   1HG   PRO  42          1HG       PRO  42  48.508  -2.238  34.637
  695   2HG   PRO  42          2HG       PRO  42  48.441  -0.596  35.307
  696   1HD   PRO  42          1HD       PRO  42  50.774  -1.835  34.688
  697   2HD   PRO  42          2HD       PRO  42  50.633  -0.660  36.012
  698    H    TRP  43           H        TRP  43  48.171  -5.038  38.516
  699    HA   TRP  43           HA       TRP  43  48.540  -7.057  36.443
  700   1HB   TRP  43          1HB       TRP  43  47.506  -7.325  39.274
  701   2HB   TRP  43          2HB       TRP  43  47.817  -8.661  38.170
  702    HD1  TRP  43           HD1      TRP  43  50.664  -7.457  37.098
  703    HE1  TRP  43           HE1      TRP  43  52.709  -7.673  38.646
  704    HE3  TRP  43           HE3      TRP  43  48.246  -8.115  41.556
  705    HZ2  TRP  43           HZ2      TRP  43  53.230  -8.070  41.392
  706    HZ3  TRP  43           HZ3      TRP  43  49.592  -8.406  43.595
  707    HH2  TRP  43           HH2      TRP  43  52.032  -8.385  43.513
  708    H    CYS  44           H        CYS  44  45.909  -5.753  38.455
  709    HA   CYS  44           HA       CYS  44  43.916  -6.988  36.740
  710   1HB   CYS  44          1HB       CYS  44  43.555  -6.958  39.168
  711   2HB   CYS  44          2HB       CYS  44  43.599  -5.199  39.160
  712    H    PHE  45           H        PHE  45  43.071  -6.024  35.022
  713    HA   PHE  45           HA       PHE  45  42.761  -3.130  34.958
  714   1HB   PHE  45          1HB       PHE  45  43.852  -2.954  32.740
  715   2HB   PHE  45          2HB       PHE  45  44.978  -3.427  34.008
  716    HD1  PHE  45           HD1      PHE  45  43.320  -4.423  30.934
  717    HD2  PHE  45           HD2      PHE  45  45.833  -5.720  34.115
  718    HE1  PHE  45           HE1      PHE  45  43.983  -6.386  29.605
  719    HE2  PHE  45           HE2      PHE  45  46.501  -7.683  32.792
  720    HZ   PHE  45           HZ       PHE  45  45.576  -8.020  30.535
  721    H    TYR  46           H        TYR  46  41.225  -2.401  33.452
  722    HA   TYR  46           HA       TYR  46  38.988  -3.918  33.042
  723   1HB   TYR  46          1HB       TYR  46  40.005  -1.670  31.290
  724   2HB   TYR  46          2HB       TYR  46  38.356  -2.286  31.287
  725    HD1  TYR  46           HD1      TYR  46  36.784  -1.584  32.923
  726    HD2  TYR  46           HD2      TYR  46  40.884  -0.518  33.329
  727    HE1  TYR  46           HE1      TYR  46  36.192  -0.014  34.720
  728    HE2  TYR  46           HE2      TYR  46  40.304   1.054  35.128
  729    HH   TYR  46           HH       TYR  46  38.333   2.331  35.893
  730    HA   PRO  47           HA       PRO  47  39.878  -6.770  29.813
  731   1HB   PRO  47          1HB       PRO  47  37.413  -7.147  28.768
  732   2HB   PRO  47          2HB       PRO  47  37.872  -7.758  30.362
  733   1HG   PRO  47          1HG       PRO  47  36.322  -5.299  29.650
  734   2HG   PRO  47          2HG       PRO  47  36.016  -6.479  30.937
  735   1HD   PRO  47          1HD       PRO  47  37.216  -4.079  31.382
  736   2HD   PRO  47          2HD       PRO  47  37.564  -5.527  32.348
  737    H    ASN  48           H        ASN  48  39.458  -7.149  27.416
  738    HA   ASN  48           HA       ASN  48  39.261  -4.593  25.970
  739   1HB   ASN  48          1HB       ASN  48  41.253  -6.809  25.446
  740   2HB   ASN  48          2HB       ASN  48  41.057  -5.363  24.460
  741   2HD2  ASN  48          2HD2      ASN  48  42.192  -6.646  27.478
  742   1HD2  ASN  48          1HD2      ASN  48  43.096  -5.254  27.962
  743    H    THR  49           H        THR  49  38.286  -4.650  23.960
  744    HA   THR  49           HA       THR  49  36.776  -7.103  23.401
  745    HB   THR  49           HB       THR  49  36.315  -4.279  22.418
  746    HG1  THR  49           HG1      THR  49  34.739  -5.834  24.210
  747   1HG2  THR  49          1HG2      THR  49  34.659  -6.777  22.041
  748   2HG2  THR  49          2HG2      THR  49  34.182  -5.148  21.562
  749   3HG2  THR  49          3HG2      THR  49  35.558  -5.928  20.784
  750    H    ILE  50           H        ILE  50  37.143  -8.287  21.628
  751    HA   ILE  50           HA       ILE  50  38.340  -7.142  19.259
  752    HB   ILE  50           HB       ILE  50  39.823  -9.267  20.810
  753   1HG1  ILE  50          1HG1      ILE  50  40.576  -6.422  20.103
  754   2HG1  ILE  50          2HG1      ILE  50  40.145  -7.005  21.708
  755   1HG2  ILE  50          1HG2      ILE  50  39.903  -9.692  18.418
  756   2HG2  ILE  50          2HG2      ILE  50  40.427  -8.034  18.125
  757   3HG2  ILE  50          3HG2      ILE  50  41.475  -9.148  19.004
  758   1HD1  ILE  50          1HD1      ILE  50  42.110  -8.459  21.698
  759   2HD1  ILE  50          2HD1      ILE  50  42.544  -7.850  20.101
  760   3HD1  ILE  50          3HD1      ILE  50  42.541  -6.761  21.489
  761    H    ASP  51           H        ASP  51  38.372  -8.619  17.453
  762    HA   ASP  51           HA       ASP  51  37.184 -11.223  17.715
  763   1HB   ASP  51          1HB       ASP  51  35.168  -9.841  17.818
  764   2HB   ASP  51          2HB       ASP  51  35.633  -9.024  16.329
  765    H    VAL  52           H        VAL  52  36.418 -11.762  15.188
  766    HA   VAL  52           HA       VAL  52  38.888 -11.302  13.661
  767    HB   VAL  52           HB       VAL  52  36.852 -13.515  13.354
  768   1HG1  VAL  52          1HG1      VAL  52  37.930 -12.960  11.244
  769   2HG1  VAL  52          2HG1      VAL  52  39.516 -13.095  12.002
  770   3HG1  VAL  52          3HG1      VAL  52  38.493 -14.522  11.838
  771   1HG2  VAL  52          1HG2      VAL  52  39.631 -13.554  14.529
  772   2HG2  VAL  52          2HG2      VAL  52  38.120 -13.730  15.421
  773   3HG2  VAL  52          3HG2      VAL  52  38.609 -14.967  14.263
  774    HA   PRO  53           HA       PRO  53  36.234  -8.809  11.027
  775   1HB   PRO  53          1HB       PRO  53  38.223  -7.911   9.421
  776   2HB   PRO  53          2HB       PRO  53  37.926  -7.251  11.033
  777   1HG   PRO  53          1HG       PRO  53  39.958  -9.268  10.157
  778   2HG   PRO  53          2HG       PRO  53  40.150  -7.892  11.259
  779   1HD   PRO  53          1HD       PRO  53  39.828 -10.438  12.136
  780   2HD   PRO  53          2HD       PRO  53  39.236  -9.030  13.040
  781    HA   PRO  54           HA       PRO  54  35.581 -11.218   7.400
  782   1HB   PRO  54          1HB       PRO  54  35.615  -8.877   5.636
  783   2HB   PRO  54          2HB       PRO  54  34.261  -9.915   6.088
  784   1HG   PRO  54          1HG       PRO  54  34.481  -7.374   6.967
  785   2HG   PRO  54          2HG       PRO  54  33.743  -8.656   7.944
  786   1HD   PRO  54          1HD       PRO  54  36.493  -7.479   8.125
  787   2HD   PRO  54          2HD       PRO  54  35.372  -7.930   9.429
  788    H    GLU  55           H        GLU  55  37.785  -8.542   6.539
  789    HA   GLU  55           HA       GLU  55  39.507 -10.521   5.196
  790   1HB   GLU  55          1HB       GLU  55  38.954  -7.681   4.319
  791   2HB   GLU  55          2HB       GLU  55  40.102  -8.773   3.557
  792   1HG   GLU  55          1HG       GLU  55  38.274 -10.284   2.968
  793   2HG   GLU  55          2HG       GLU  55  37.125  -9.187   3.732
  794    H    GLU  56           H        GLU  56  41.603  -8.813   4.561
  795    HA   GLU  56           HA       GLU  56  42.668  -8.242   7.238
  796   1HB   GLU  56          1HB       GLU  56  44.124  -8.744   4.636
  797   2HB   GLU  56          2HB       GLU  56  44.893  -8.435   6.187
  798   1HG   GLU  56          1HG       GLU  56  43.143 -10.791   5.517
  799   2HG   GLU  56          2HG       GLU  56  44.902 -10.802   5.654
  800    H    GLU  57           H        GLU  57  40.999  -6.487   5.388
  801    HA   GLU  57           HA       GLU  57  42.811  -4.166   5.455
  802   1HB   GLU  57          1HB       GLU  57  42.448  -4.843   3.134
  803   2HB   GLU  57          2HB       GLU  57  40.708  -4.778   3.370
  804   1HG   GLU  57          1HG       GLU  57  40.850  -2.375   3.775
  805   2HG   GLU  57          2HG       GLU  57  42.596  -2.439   3.541
  806    H    CYS  58           H        CYS  58  40.212  -5.525   6.843
  807    HA   CYS  58           HA       CYS  58  39.006  -2.910   7.457
  808   1HB   CYS  58          1HB       CYS  58  37.568  -5.552   7.134
  809   2HB   CYS  58          2HB       CYS  58  36.822  -4.063   7.707
  810    H    GLU  59           H        GLU  59  40.782  -3.204   9.141
  811    HA   GLU  59           HA       GLU  59  39.512  -4.137  11.573
  812   1HB   GLU  59          1HB       GLU  59  41.451  -5.470  12.288
  813   2HB   GLU  59          2HB       GLU  59  40.696  -6.138  10.846
  814   1HG   GLU  59          1HG       GLU  59  42.439  -5.126   9.466
  815   2HG   GLU  59          2HG       GLU  59  43.195  -4.460  10.913
  816    H    PHE  60           H        PHE  60  42.174  -2.525   9.957
  817    HA   PHE  60           HA       PHE  60  42.839  -1.083  12.421
  818   1HB   PHE  60          1HB       PHE  60  44.274  -1.180   9.759
  819   2HB   PHE  60          2HB       PHE  60  44.826  -0.292  11.176
  820    HD1  PHE  60           HD1      PHE  60  44.563  -3.534   9.577
  821    HD2  PHE  60           HD2      PHE  60  45.606  -1.502  13.167
  822    HE1  PHE  60           HE1      PHE  60  45.753  -5.539  10.362
  823    HE2  PHE  60           HE2      PHE  60  46.798  -3.503  13.959
  824    HZ   PHE  60           HZ       PHE  60  46.872  -5.525  12.555

  No H/Q in entry =         824
  Start of MODEL    8
    1    H1   GLU   1           H1       GLU   1  22.180 -15.533   6.016
    2    H2   GLU   1           H2       GLU   1  23.042 -16.396   4.845
    3    H3   GLU   1           H3       GLU   1  22.400 -14.875   4.473
    4    HA   GLU   1           HA       GLU   1  21.064 -16.603   3.491
    5   1HB   GLU   1          1HB       GLU   1  19.845 -18.170   4.945
    6   2HB   GLU   1          2HB       GLU   1  21.585 -18.380   5.079
    7   1HG   GLU   1          1HG       GLU   1  21.581 -17.113   7.165
    8   2HG   GLU   1          2HG       GLU   1  19.836 -16.896   7.029
    9    H    ALA   2           H        ALA   2  19.700 -15.064   2.818
   10    HA   ALA   2           HA       ALA   2  17.439 -14.398   4.467
   11   1HB   ALA   2          1HB       ALA   2  17.728 -11.981   4.402
   12   2HB   ALA   2          2HB       ALA   2  19.288 -12.177   3.603
   13   3HB   ALA   2          3HB       ALA   2  19.067 -12.748   5.257
   14    H    GLN   3           H        GLN   3  15.745 -14.486   3.164
   15    HA   GLN   3           HA       GLN   3  15.911 -13.326   0.487
   16   1HB   GLN   3          1HB       GLN   3  14.921 -16.134   1.021
   17   2HB   GLN   3          2HB       GLN   3  14.836 -15.299  -0.523
   18   1HG   GLN   3          1HG       GLN   3  16.680 -16.870  -0.481
   19   2HG   GLN   3          2HG       GLN   3  17.265 -15.214  -0.627
   20   2HE2  GLN   3          2HE2      GLN   3  16.071 -16.524   2.366
   21   1HE2  GLN   3          1HE2      GLN   3  17.593 -16.581   3.182
   22    H    THR   4           H        THR   4  14.456 -11.730   0.847
   23    HA   THR   4           HA       THR   4  11.691 -12.366   0.950
   24    HB   THR   4           HB       THR   4  11.144 -11.252   3.084
   25    HG1  THR   4           HG1      THR   4  13.676 -11.518   4.132
   26   1HG2  THR   4          1HG2      THR   4  11.335 -13.703   2.992
   27   2HG2  THR   4          2HG2      THR   4  13.043 -13.577   3.415
   28   3HG2  THR   4          3HG2      THR   4  11.809 -13.069   4.568
   29    H    GLU   5           H        GLU   5  10.478 -10.692   0.200
   30    HA   GLU   5           HA       GLU   5  11.737  -8.487  -1.002
   31   1HB   GLU   5          1HB       GLU   5   8.818  -8.772  -0.258
   32   2HB   GLU   5          2HB       GLU   5   9.482  -7.651  -1.438
   33   1HG   GLU   5          1HG       GLU   5  10.236  -9.573  -2.789
   34   2HG   GLU   5          2HG       GLU   5   9.469 -10.652  -1.626
   35    H    THR   6           H        THR   6  10.500  -6.208  -0.492
   36    HA   THR   6           HA       THR   6  10.755  -5.728   2.401
   37    HB   THR   6           HB       THR   6  11.777  -3.920   0.201
   38    HG1  THR   6           HG1      THR   6  13.654  -4.498   1.949
   39   1HG2  THR   6          1HG2      THR   6  10.823  -2.637   2.053
   40   2HG2  THR   6          2HG2      THR   6  11.805  -3.550   3.199
   41   3HG2  THR   6          3HG2      THR   6  12.580  -2.488   2.024
   42    H    CYS   7           H        CYS   7   9.689  -3.672   3.082
   43    HA   CYS   7           HA       CYS   7   7.395  -2.990   1.373
   44   1HB   CYS   7          1HB       CYS   7   7.326  -3.526   4.350
   45   2HB   CYS   7          2HB       CYS   7   5.982  -2.880   3.416
   46    H    THR   8           H        THR   8   9.859  -2.015   3.573
   47    HA   THR   8           HA       THR   8   8.839   0.601   4.119
   48    HB   THR   8           HB       THR   8  10.428  -0.426   5.654
   49    HG1  THR   8           HG1      THR   8  11.971   1.383   5.667
   50   1HG2  THR   8          1HG2      THR   8  11.736  -1.718   4.042
   51   2HG2  THR   8          2HG2      THR   8  12.405  -0.226   3.379
   52   3HG2  THR   8          3HG2      THR   8  12.786  -0.704   5.033
   53    H    VAL   9           H        VAL   9   8.530   0.397   1.478
   54    HA   VAL   9           HA       VAL   9  10.820   1.572   0.120
   55    HB   VAL   9           HB       VAL   9   8.081   0.880  -0.954
   56   1HG1  VAL   9          1HG1      VAL   9  10.619   1.661  -2.385
   57   2HG1  VAL   9          2HG1      VAL   9   9.136   1.106  -3.162
   58   3HG1  VAL   9          3HG1      VAL   9   9.146   2.624  -2.264
   59   1HG2  VAL   9          1HG2      VAL   9  10.701  -0.603  -1.156
   60   2HG2  VAL   9          2HG2      VAL   9   9.293  -1.096  -0.214
   61   3HG2  VAL   9          3HG2      VAL   9   9.204  -1.047  -1.975
   62    H    ALA  10           H        ALA  10  10.091   3.367  -1.545
   63    HA   ALA  10           HA       ALA  10   9.282   5.621   0.033
   64   1HB   ALA  10          1HB       ALA  10  11.020   5.826  -1.672
   65   2HB   ALA  10          2HB       ALA  10   9.842   5.436  -2.926
   66   3HB   ALA  10          3HB       ALA  10   9.677   6.923  -1.993
   67    HA   PRO  11           HA       PRO  11   4.894   5.400  -0.411
   68   1HB   PRO  11          1HB       PRO  11   5.217   8.362  -0.664
   69   2HB   PRO  11          2HB       PRO  11   4.111   7.435   0.358
   70   1HG   PRO  11          1HG       PRO  11   6.299   8.548   1.389
   71   2HG   PRO  11          2HG       PRO  11   5.753   6.948   1.922
   72   1HD   PRO  11          1HD       PRO  11   8.042   7.682   0.170
   73   2HD   PRO  11          2HD       PRO  11   7.866   6.316   1.289
   74    H    ARG  12           H        ARG  12   5.822   8.286  -2.243
   75    HA   ARG  12           HA       ARG  12   4.068   7.904  -4.343
   76   1HB   ARG  12          1HB       ARG  12   6.758   9.284  -4.411
   77   2HB   ARG  12          2HB       ARG  12   5.493   9.471  -5.618
   78   1HG   ARG  12          1HG       ARG  12   5.295  10.246  -2.715
   79   2HG   ARG  12          2HG       ARG  12   5.520  11.346  -4.075
   80   1HD   ARG  12          1HD       ARG  12   3.363  10.647  -4.995
   81   2HD   ARG  12          2HD       ARG  12   3.140   9.545  -3.637
   82    HE   ARG  12           HE       ARG  12   3.574  12.118  -2.627
   83   1HH1  ARG  12          1HH1      ARG  12   1.190  10.344  -4.444
   84   2HH1  ARG  12          2HH1      ARG  12  -0.140  11.302  -3.882
   85   1HH2  ARG  12          1HH2      ARG  12   1.829  13.386  -1.880
   86   2HH2  ARG  12          2HH2      ARG  12   0.224  13.031  -2.425
   87    H    GLU  13           H        GLU  13   7.227   6.517  -3.824
   88    HA   GLU  13           HA       GLU  13   7.342   5.429  -6.519
   89   1HB   GLU  13          1HB       GLU  13   9.229   5.102  -4.178
   90   2HB   GLU  13          2HB       GLU  13   9.518   4.503  -5.806
   91   1HG   GLU  13          1HG       GLU  13  10.734   6.560  -5.404
   92   2HG   GLU  13          2HG       GLU  13   9.515   6.785  -6.657
   93    H    ARG  14           H        ARG  14   5.156   4.575  -4.889
   94    HA   ARG  14           HA       ARG  14   5.848   1.764  -4.366
   95   1HB   ARG  14          1HB       ARG  14   3.475   3.378  -3.412
   96   2HB   ARG  14          2HB       ARG  14   3.761   1.682  -3.044
   97   1HG   ARG  14          1HG       ARG  14   5.820   2.286  -1.870
   98   2HG   ARG  14          2HG       ARG  14   5.519   3.987  -2.231
   99   1HD   ARG  14          1HD       ARG  14   3.439   3.898  -0.959
  100   2HD   ARG  14          2HD       ARG  14   3.711   2.189  -0.620
  101    HE   ARG  14           HE       ARG  14   5.951   3.496   0.300
  102   1HH1  ARG  14          1HH1      ARG  14   2.527   3.607   0.927
  103   2HH1  ARG  14          2HH1      ARG  14   2.714   4.091   2.580
  104   1HH2  ARG  14          1HH2      ARG  14   6.209   4.131   2.476
  105   2HH2  ARG  14          2HH2      ARG  14   4.808   4.390   3.460
  106    H    GLN  15           H        GLN  15   5.181   0.274  -5.753
  107    HA   GLN  15           HA       GLN  15   3.480   1.003  -7.959
  108   1HB   GLN  15          1HB       GLN  15   4.716  -1.656  -7.224
  109   2HB   GLN  15          2HB       GLN  15   3.899  -1.303  -8.740
  110   1HG   GLN  15          1HG       GLN  15   6.307  -1.221  -9.004
  111   2HG   GLN  15          2HG       GLN  15   5.589   0.367  -9.274
  112   2HE2  GLN  15          2HE2      GLN  15   5.935   2.005  -7.772
  113   1HE2  GLN  15          1HE2      GLN  15   7.191   1.916  -6.590
  114    H    ASN  16           H        ASN  16   1.439   1.378  -7.143
  115    HA   ASN  16           HA       ASN  16  -0.090   0.261  -5.303
  116   1HB   ASN  16          1HB       ASN  16  -0.963   1.884  -6.914
  117   2HB   ASN  16          2HB       ASN  16  -0.989   0.646  -8.167
  118   2HD2  ASN  16          2HD2      ASN  16  -2.482   1.822  -5.261
  119   1HD2  ASN  16          1HD2      ASN  16  -3.922   0.874  -5.375
  120    H    CYS  17           H        CYS  17  -1.452  -1.539  -5.012
  121    HA   CYS  17           HA       CYS  17  -1.022  -3.811  -6.818
  122   1HB   CYS  17          1HB       CYS  17   0.538  -4.125  -4.967
  123   2HB   CYS  17          2HB       CYS  17  -0.765  -3.902  -3.804
  124    H    GLY  18           H        GLY  18  -3.149  -1.771  -5.570
  125   1HA   GLY  18          1HA       GLY  18  -5.185  -3.255  -4.390
  126   2HA   GLY  18          2HA       GLY  18  -5.410  -3.378  -6.129
  127    H    PHE  19           H        PHE  19  -6.845  -1.972  -3.810
  128    HA   PHE  19           HA       PHE  19  -7.171   0.587  -5.218
  129   1HB   PHE  19          1HB       PHE  19  -9.403   0.682  -4.181
  130   2HB   PHE  19          2HB       PHE  19  -9.193  -0.775  -5.144
  131    HD1  PHE  19           HD1      PHE  19  -9.987   0.563  -1.923
  132    HD2  PHE  19           HD2      PHE  19  -8.668  -2.937  -3.950
  133    HE1  PHE  19           HE1      PHE  19 -10.651  -0.803   0.013
  134    HE2  PHE  19           HE2      PHE  19  -9.329  -4.310  -2.020
  135    HZ   PHE  19           HZ       PHE  19 -10.322  -3.243  -0.034
  136    HA   PRO  20           HA       PRO  20  -5.975   3.039  -1.771
  137   1HB   PRO  20          1HB       PRO  20  -8.021   4.784  -1.369
  138   2HB   PRO  20          2HB       PRO  20  -6.919   4.889  -2.747
  139   1HG   PRO  20          1HG       PRO  20  -9.673   3.724  -2.607
  140   2HG   PRO  20          2HG       PRO  20  -8.953   4.747  -3.865
  141   1HD   PRO  20          1HD       PRO  20  -9.180   2.065  -4.132
  142   2HD   PRO  20          2HD       PRO  20  -7.832   2.979  -4.837
  143    H    GLY  21           H        GLY  21  -9.216   1.680  -1.474
  144   1HA   GLY  21          1HA       GLY  21 -10.452   1.065   0.374
  145   2HA   GLY  21          2HA       GLY  21  -9.403   2.075   1.355
  146    H    VAL  22           H        VAL  22  -8.120  -0.437  -0.691
  147    HA   VAL  22           HA       VAL  22  -8.095  -2.744   0.539
  148    HB   VAL  22           HB       VAL  22  -5.712  -3.083   0.076
  149   1HG1  VAL  22          1HG1      VAL  22  -7.128  -1.466  -2.041
  150   2HG1  VAL  22          2HG1      VAL  22  -5.753  -2.536  -2.315
  151   3HG1  VAL  22          3HG1      VAL  22  -7.293  -3.201  -1.771
  152   1HG2  VAL  22          1HG2      VAL  22  -5.675  -0.100  -0.362
  153   2HG2  VAL  22          2HG2      VAL  22  -4.808  -1.000   0.881
  154   3HG2  VAL  22          3HG2      VAL  22  -4.372  -1.197  -0.816
  155    H    THR  23           H        THR  23  -7.033  -3.832   2.254
  156    HA   THR  23           HA       THR  23  -6.147  -2.070   4.446
  157    HB   THR  23           HB       THR  23  -7.094  -3.687   6.044
  158    HG1  THR  23           HG1      THR  23  -7.140  -5.579   4.863
  159   1HG2  THR  23          1HG2      THR  23  -8.442  -1.763   5.365
  160   2HG2  THR  23          2HG2      THR  23  -9.096  -2.689   4.014
  161   3HG2  THR  23          3HG2      THR  23  -9.462  -3.169   5.671
  162    HA   PRO  24           HA       PRO  24  -2.390  -4.259   5.018
  163   1HB   PRO  24          1HB       PRO  24  -3.299  -5.078   7.734
  164   2HB   PRO  24          2HB       PRO  24  -1.822  -4.238   7.246
  165   1HG   PRO  24          1HG       PRO  24  -3.812  -2.916   8.420
  166   2HG   PRO  24          2HG       PRO  24  -2.882  -2.181   7.101
  167   1HD   PRO  24          1HD       PRO  24  -5.628  -3.352   7.062
  168   2HD   PRO  24          2HD       PRO  24  -4.983  -1.953   6.180
  169    H    SER  25           H        SER  25  -5.303  -5.956   6.050
  170    HA   SER  25           HA       SER  25  -4.041  -8.552   5.838
  171   1HB   SER  25          1HB       SER  25  -5.724  -8.186   7.576
  172   2HB   SER  25          2HB       SER  25  -6.928  -7.792   6.347
  173    HG   SER  25           HG       SER  25  -6.842  -9.900   5.620
  174    H    GLN  26           H        GLN  26  -6.551  -6.729   4.111
  175    HA   GLN  26           HA       GLN  26  -7.182  -8.681   2.210
  176   1HB   GLN  26          1HB       GLN  26  -7.264  -5.672   1.928
  177   2HB   GLN  26          2HB       GLN  26  -8.065  -6.813   0.857
  178   1HG   GLN  26          1HG       GLN  26  -9.436  -7.598   2.719
  179   2HG   GLN  26          2HG       GLN  26  -8.637  -6.448   3.789
  180   2HE2  GLN  26          2HE2      GLN  26  -9.408  -5.712   0.478
  181   1HE2  GLN  26          1HE2      GLN  26 -10.657  -4.566   0.812
  182    H    CYS  27           H        CYS  27  -4.807  -6.044   2.083
  183    HA   CYS  27           HA       CYS  27  -3.894  -6.759  -0.538
  184   1HB   CYS  27          1HB       CYS  27  -3.769  -4.445   0.269
  185   2HB   CYS  27          2HB       CYS  27  -2.656  -4.940   1.538
  186    H    ALA  28           H        ALA  28  -2.553  -7.068   2.742
  187    HA   ALA  28           HA       ALA  28  -0.167  -8.355   1.983
  188   1HB   ALA  28          1HB       ALA  28  -0.480  -7.294   4.168
  189   2HB   ALA  28          2HB       ALA  28   0.045  -8.971   4.329
  190   3HB   ALA  28          3HB       ALA  28  -1.645  -8.546   4.605
  191    H    ASN  29           H        ASN  29  -3.374  -9.463   2.025
  192    HA   ASN  29           HA       ASN  29  -2.736 -12.251   2.449
  193   1HB   ASN  29          1HB       ASN  29  -4.895 -11.380   3.203
  194   2HB   ASN  29          2HB       ASN  29  -5.303 -10.922   1.551
  195   2HD2  ASN  29          2HD2      ASN  29  -7.128 -12.210   1.523
  196   1HD2  ASN  29          1HD2      ASN  29  -7.045 -13.933   1.438
  197    H    LYS  30           H        LYS  30  -2.680 -10.083  -0.151
  198    HA   LYS  30           HA       LYS  30  -3.096 -12.138  -2.175
  199   1HB   LYS  30          1HB       LYS  30  -2.472  -9.194  -2.461
  200   2HB   LYS  30          2HB       LYS  30  -2.840 -10.289  -3.787
  201   1HG   LYS  30          1HG       LYS  30  -4.701  -9.548  -1.538
  202   2HG   LYS  30          2HG       LYS  30  -4.772  -8.942  -3.194
  203   1HD   LYS  30          1HD       LYS  30  -5.167 -11.218  -4.007
  204   2HD   LYS  30          2HD       LYS  30  -5.093 -11.822  -2.351
  205   1HE   LYS  30          1HE       LYS  30  -7.030 -10.447  -1.766
  206   2HE   LYS  30          2HE       LYS  30  -7.103  -9.843  -3.419
  207   1HZ   LYS  30          1HZ       LYS  30  -7.452 -12.675  -2.596
  208   2HZ   LYS  30          2HZ       LYS  30  -8.691 -11.622  -3.060
  209   3HZ   LYS  30          3HZ       LYS  30  -7.521 -12.096  -4.186
  210    H    GLY  31           H        GLY  31  -0.527 -10.166  -0.801
  211   1HA   GLY  31          1HA       GLY  31   1.410 -11.543  -2.550
  212   2HA   GLY  31          2HA       GLY  31   1.640 -11.512  -0.808
  213    H    CYS  32           H        CYS  32   0.336  -8.657  -1.163
  214    HA   CYS  32           HA       CYS  32   2.843  -7.319  -1.942
  215   1HB   CYS  32          1HB       CYS  32   0.006  -6.274  -2.029
  216   2HB   CYS  32          2HB       CYS  32   1.437  -5.326  -2.414
  217    H    CYS  33           H        CYS  33   3.075  -5.109  -0.858
  218    HA   CYS  33           HA       CYS  33   2.803  -5.491   2.011
  219   1HB   CYS  33          1HB       CYS  33   4.174  -3.312   0.422
  220   2HB   CYS  33          2HB       CYS  33   4.223  -3.469   2.174
  221    H    PHE  34           H        PHE  34   1.917  -3.855   3.402
  222    HA   PHE  34           HA       PHE  34   0.025  -2.024   2.099
  223   1HB   PHE  34          1HB       PHE  34  -1.223  -4.014   2.828
  224   2HB   PHE  34          2HB       PHE  34  -0.612  -3.799   4.465
  225    HD1  PHE  34           HD1      PHE  34  -1.343  -1.856   5.808
  226    HD2  PHE  34           HD2      PHE  34  -3.047  -2.744   2.011
  227    HE1  PHE  34           HE1      PHE  34  -3.255  -0.398   6.329
  228    HE2  PHE  34           HE2      PHE  34  -4.962  -1.287   2.525
  229    HZ   PHE  34           HZ       PHE  34  -5.067  -0.111   4.686
  230    H    ASP  35           H        ASP  35   0.410  -0.016   2.727
  231    HA   ASP  35           HA       ASP  35   1.270   0.459   5.500
  232   1HB   ASP  35          1HB       ASP  35   3.232   0.664   4.056
  233   2HB   ASP  35          2HB       ASP  35   2.376   1.807   3.027
  234    H    ASP  36           H        ASP  36  -0.998   0.904   5.850
  235    HA   ASP  36           HA       ASP  36  -2.244   3.103   4.484
  236   1HB   ASP  36          1HB       ASP  36  -4.084   2.764   6.091
  237   2HB   ASP  36          2HB       ASP  36  -3.602   1.255   5.322
  238    H    THR  37           H        THR  37   0.305   3.462   6.072
  239    HA   THR  37           HA       THR  37  -0.532   5.306   8.166
  240    HB   THR  37           HB       THR  37   1.870   5.529   8.661
  241    HG1  THR  37           HG1      THR  37   2.450   3.487   6.813
  242   1HG2  THR  37          1HG2      THR  37   0.605   3.724   9.720
  243   2HG2  THR  37          2HG2      THR  37   0.964   2.663   8.357
  244   3HG2  THR  37          3HG2      THR  37   2.268   3.225   9.404
  245    H    VAL  38           H        VAL  38   0.334   5.376   4.872
  246    HA   VAL  38           HA       VAL  38   0.942   8.253   5.005
  247    HB   VAL  38           HB       VAL  38   1.475   6.309   2.754
  248   1HG1  VAL  38          1HG1      VAL  38   2.229   9.214   3.064
  249   2HG1  VAL  38          2HG1      VAL  38   2.757   8.152   1.759
  250   3HG1  VAL  38          3HG1      VAL  38   1.049   8.556   1.930
  251   1HG2  VAL  38          1HG2      VAL  38   3.364   7.601   4.720
  252   2HG2  VAL  38          2HG2      VAL  38   2.917   5.897   4.671
  253   3HG2  VAL  38          3HG2      VAL  38   3.839   6.604   3.345
  254    H    ARG  39           H        ARG  39  -0.513   9.659   4.281
  255    HA   ARG  39           HA       ARG  39  -2.920   8.655   2.983
  256   1HB   ARG  39          1HB       ARG  39  -2.242  11.408   4.036
  257   2HB   ARG  39          2HB       ARG  39  -3.805  10.929   3.389
  258   1HG   ARG  39          1HG       ARG  39  -4.056   9.297   5.186
  259   2HG   ARG  39          2HG       ARG  39  -2.482   9.764   5.832
  260   1HD   ARG  39          1HD       ARG  39  -4.891  11.559   5.556
  261   2HD   ARG  39          2HD       ARG  39  -4.302  10.842   7.055
  262    HE   ARG  39           HE       ARG  39  -2.239  12.329   5.843
  263   1HH1  ARG  39          1HH1      ARG  39  -5.263  12.762   7.514
  264   2HH1  ARG  39          2HH1      ARG  39  -4.838  14.315   8.151
  265   1HH2  ARG  39          1HH2      ARG  39  -1.668  14.374   6.676
  266   2HH2  ARG  39          2HH2      ARG  39  -2.795  15.231   7.675
  267    H    GLY  40           H        GLY  40  -3.872  10.351   1.329
  268   1HA   GLY  40          1HA       GLY  40  -2.040  11.728  -0.353
  269   2HA   GLY  40          2HA       GLY  40  -3.713  11.351  -0.737
  270    H    VAL  41           H        VAL  41  -1.278   8.958   0.084
  271    HA   VAL  41           HA       VAL  41  -1.190   8.106  -2.730
  272    HB   VAL  41           HB       VAL  41   0.832   6.860  -2.156
  273   1HG1  VAL  41          1HG1      VAL  41   1.062   9.163  -2.906
  274   2HG1  VAL  41          2HG1      VAL  41   0.924   9.733  -1.243
  275   3HG1  VAL  41          3HG1      VAL  41   2.314   8.764  -1.731
  276   1HG2  VAL  41          1HG2      VAL  41   0.456   8.009   0.608
  277   2HG2  VAL  41          2HG2      VAL  41   0.307   6.311   0.155
  278   3HG2  VAL  41          3HG2      VAL  41   1.872   7.118   0.053
  279    HA   PRO  42           HA       PRO  42  -3.177   4.263  -1.907
  280   1HB   PRO  42          1HB       PRO  42  -1.650   2.410  -3.150
  281   2HB   PRO  42          2HB       PRO  42  -2.601   3.605  -4.039
  282   1HG   PRO  42          1HG       PRO  42   0.320   3.616  -3.385
  283   2HG   PRO  42          2HG       PRO  42  -0.487   4.041  -4.905
  284   1HD   PRO  42          1HD       PRO  42   0.380   5.899  -3.120
  285   2HD   PRO  42          2HD       PRO  42  -1.027   6.154  -4.172
  286    H    TRP  43           H        TRP  43  -3.209   2.395  -0.617
  287    HA   TRP  43           HA       TRP  43  -1.032   2.274   1.336
  288   1HB   TRP  43          1HB       TRP  43  -3.827   1.119   1.430
  289   2HB   TRP  43          2HB       TRP  43  -2.639   0.998   2.724
  290    HD1  TRP  43           HD1      TRP  43  -1.661   4.127   2.372
  291    HE1  TRP  43           HE1      TRP  43  -3.177   5.952   3.372
  292    HE3  TRP  43           HE3      TRP  43  -6.027   1.483   2.672
  293    HZ2  TRP  43           HZ2      TRP  43  -5.865   6.233   4.182
  294    HZ3  TRP  43           HZ3      TRP  43  -8.024   2.604   3.572
  295    HH2  TRP  43           HH2      TRP  43  -7.944   4.929   4.311
  296    H    CYS  44           H        CYS  44  -2.657   0.363  -1.094
  297    HA   CYS  44           HA       CYS  44  -1.039  -1.979  -0.388
  298   1HB   CYS  44          1HB       CYS  44  -3.451  -2.344  -0.732
  299   2HB   CYS  44          2HB       CYS  44  -3.311  -1.717  -2.370
  300    H    PHE  45           H        PHE  45   0.843  -2.222  -1.377
  301    HA   PHE  45           HA       PHE  45   1.068  -1.595  -4.221
  302   1HB   PHE  45          1HB       PHE  45   3.207  -0.411  -3.874
  303   2HB   PHE  45          2HB       PHE  45   1.857   0.430  -3.119
  304    HD1  PHE  45           HD1      PHE  45   4.923  -1.474  -2.543
  305    HD2  PHE  45           HD2      PHE  45   1.670   0.574  -0.716
  306    HE1  PHE  45           HE1      PHE  45   6.134  -1.468  -0.401
  307    HE2  PHE  45           HE2      PHE  45   2.876   0.584   1.430
  308    HZ   PHE  45           HZ       PHE  45   5.111  -0.437   1.589
  309    H    TYR  46           H        TYR  46   3.271  -2.362  -5.061
  310    HA   TYR  46           HA       TYR  46   3.551  -5.107  -4.282
  311   1HB   TYR  46          1HB       TYR  46   5.154  -3.493  -6.277
  312   2HB   TYR  46          2HB       TYR  46   5.163  -5.247  -6.124
  313    HD1  TYR  46           HD1      TYR  46   4.171  -2.938  -8.294
  314    HD2  TYR  46           HD2      TYR  46   2.381  -5.971  -5.907
  315    HE1  TYR  46           HE1      TYR  46   2.301  -3.077  -9.883
  316    HE2  TYR  46           HE2      TYR  46   0.507  -6.120  -7.491
  317    HH   TYR  46           HH       TYR  46  -0.586  -4.734  -9.187
  318    HA   PRO  47           HA       PRO  47   6.716  -4.627  -1.228
  319   1HB   PRO  47          1HB       PRO  47   7.835  -7.129  -1.513
  320   2HB   PRO  47          2HB       PRO  47   6.395  -6.777  -0.547
  321   1HG   PRO  47          1HG       PRO  47   6.599  -7.884  -3.315
  322   2HG   PRO  47          2HG       PRO  47   5.486  -8.328  -2.008
  323   1HD   PRO  47          1HD       PRO  47   4.711  -6.776  -4.061
  324   2HD   PRO  47          2HD       PRO  47   4.091  -6.524  -2.415
  325    H    ASN  48           H        ASN  48   9.102  -6.162  -1.423
  326    HA   ASN  48           HA       ASN  48  10.447  -4.861  -3.697
  327   1HB   ASN  48          1HB       ASN  48  11.478  -5.360  -0.905
  328   2HB   ASN  48          2HB       ASN  48  12.508  -4.883  -2.250
  329   2HD2  ASN  48          2HD2      ASN  48   9.993  -3.891  -0.072
  330   1HD2  ASN  48          1HD2      ASN  48  10.105  -2.197  -0.388
  331    H    THR  49           H        THR  49  12.774  -5.960  -3.818
  332    HA   THR  49           HA       THR  49  12.299  -8.499  -4.956
  333    HB   THR  49           HB       THR  49  13.998  -6.999  -5.869
  334    HG1  THR  49           HG1      THR  49  14.247  -9.548  -5.542
  335   1HG2  THR  49          1HG2      THR  49  15.411  -7.484  -3.247
  336   2HG2  THR  49          2HG2      THR  49  16.156  -6.731  -4.658
  337   3HG2  THR  49          3HG2      THR  49  14.797  -5.946  -3.852
  338    H    ILE  50           H        ILE  50  13.855 -10.341  -4.471
  339    HA   ILE  50           HA       ILE  50  14.323 -10.692  -1.606
  340    HB   ILE  50           HB       ILE  50  12.746 -12.625  -3.307
  341   1HG1  ILE  50          1HG1      ILE  50  11.919 -11.003  -0.892
  342   2HG1  ILE  50          2HG1      ILE  50  11.489 -10.623  -2.556
  343   1HG2  ILE  50          1HG2      ILE  50  13.659 -12.802  -0.443
  344   2HG2  ILE  50          2HG2      ILE  50  12.515 -13.906  -1.206
  345   3HG2  ILE  50          3HG2      ILE  50  14.180 -13.822  -1.784
  346   1HD1  ILE  50          1HD1      ILE  50  10.766 -13.227  -1.257
  347   2HD1  ILE  50          2HD1      ILE  50   9.741 -11.793  -1.176
  348   3HD1  ILE  50          3HD1      ILE  50  10.117 -12.519  -2.737
  349    H    ASP  51           H        ASP  51  15.568 -12.715  -1.158
  350    HA   ASP  51           HA       ASP  51  17.564 -13.123  -3.267
  351   1HB   ASP  51          1HB       ASP  51  17.677 -13.781  -0.314
  352   2HB   ASP  51          2HB       ASP  51  18.989 -14.028  -1.462
  353    H    VAL  52           H        VAL  52  18.626 -15.546  -2.403
  354    HA   VAL  52           HA       VAL  52  16.397 -17.441  -2.708
  355    HB   VAL  52           HB       VAL  52  18.994 -17.561  -4.248
  356   1HG1  VAL  52          1HG1      VAL  52  18.192 -19.774  -3.631
  357   2HG1  VAL  52          2HG1      VAL  52  16.600 -19.395  -4.287
  358   3HG1  VAL  52          3HG1      VAL  52  17.993 -19.502  -5.363
  359   1HG2  VAL  52          1HG2      VAL  52  17.492 -15.854  -5.124
  360   2HG2  VAL  52          2HG2      VAL  52  17.589 -17.224  -6.229
  361   3HG2  VAL  52          3HG2      VAL  52  16.177 -17.028  -5.191
  362    HA   PRO  53           HA       PRO  53  18.574 -19.210   0.775
  363   1HB   PRO  53          1HB       PRO  53  16.846 -21.263   1.178
  364   2HB   PRO  53          2HB       PRO  53  16.500 -19.605   1.684
  365   1HG   PRO  53          1HG       PRO  53  15.568 -21.075  -0.752
  366   2HG   PRO  53          2HG       PRO  53  14.653 -20.011   0.330
  367   1HD   PRO  53          1HD       PRO  53  15.616 -19.181  -2.062
  368   2HD   PRO  53          2HD       PRO  53  15.458 -18.095  -0.667
  369    HA   PRO  54           HA       PRO  54  20.985 -22.350  -1.187
  370   1HB   PRO  54          1HB       PRO  54  21.661 -23.353   1.483
  371   2HB   PRO  54          2HB       PRO  54  22.700 -22.579   0.284
  372   1HG   PRO  54          1HG       PRO  54  21.987 -21.347   2.576
  373   2HG   PRO  54          2HG       PRO  54  22.247 -20.460   1.062
  374   1HD   PRO  54          1HD       PRO  54  19.675 -21.299   2.351
  375   2HD   PRO  54          2HD       PRO  54  20.086 -19.768   1.548
  376    H    GLU  55           H        GLU  55  18.297 -22.976   0.751
  377    HA   GLU  55           HA       GLU  55  18.496 -25.846   0.783
  378   1HB   GLU  55          1HB       GLU  55  16.143 -24.034   1.350
  379   2HB   GLU  55          2HB       GLU  55  16.191 -25.765   1.662
  380   1HG   GLU  55          1HG       GLU  55  16.562 -24.501   3.696
  381   2HG   GLU  55          2HG       GLU  55  17.993 -25.436   3.266
  382    H    GLU  56           H        GLU  56  18.928 -25.855  -1.618
  383    HA   GLU  56           HA       GLU  56  16.555 -26.711  -2.968
  384   1HB   GLU  56          1HB       GLU  56  17.977 -24.251  -4.004
  385   2HB   GLU  56          2HB       GLU  56  16.718 -25.133  -4.859
  386   1HG   GLU  56          1HG       GLU  56  15.132 -24.592  -3.081
  387   2HG   GLU  56          2HG       GLU  56  16.395 -23.704  -2.229
  388    H    GLU  57           H        GLU  57  19.788 -26.783  -2.404
  389    HA   GLU  57           HA       GLU  57  20.235 -28.550  -4.692
  390   1HB   GLU  57          1HB       GLU  57  22.132 -26.341  -3.874
  391   2HB   GLU  57          2HB       GLU  57  22.467 -27.574  -5.081
  392   1HG   GLU  57          1HG       GLU  57  20.305 -25.487  -5.239
  393   2HG   GLU  57          2HG       GLU  57  21.835 -25.471  -6.117
  394    H    CYS  58           H        CYS  58  23.185 -28.307  -3.717
  395    HA   CYS  58           HA       CYS  58  22.931 -30.443  -1.742
  396   1HB   CYS  58          1HB       CYS  58  24.391 -30.823  -3.686
  397   2HB   CYS  58          2HB       CYS  58  25.365 -29.430  -3.227
  398    H    GLU  59           H        GLU  59  25.279 -27.790  -2.118
  399    HA   GLU  59           HA       GLU  59  24.748 -26.940   0.624
  400   1HB   GLU  59          1HB       GLU  59  27.144 -26.939   1.188
  401   2HB   GLU  59          2HB       GLU  59  26.552 -28.561   0.855
  402   1HG   GLU  59          1HG       GLU  59  27.515 -28.456  -1.386
  403   2HG   GLU  59          2HG       GLU  59  28.109 -26.830  -1.052
  404    H    PHE  60           H        PHE  60  24.675 -26.018  -2.345
  405    HA   PHE  60           HA       PHE  60  26.320 -23.615  -2.163
  406   1HB   PHE  60          1HB       PHE  60  26.332 -24.840  -4.281
  407   2HB   PHE  60          2HB       PHE  60  24.586 -24.661  -4.411
  408    HD1  PHE  60           HD1      PHE  60  27.814 -22.990  -4.722
  409    HD2  PHE  60           HD2      PHE  60  23.593 -22.534  -5.006
  410    HE1  PHE  60           HE1      PHE  60  28.128 -20.869  -5.928
  411    HE2  PHE  60           HE2      PHE  60  23.898 -20.412  -6.212
  412    HZ   PHE  60           HZ       PHE  60  26.168 -19.577  -6.675
  413    H1   GLU   1           H1       GLU   1  10.273 -34.668  -4.554
  414    H2   GLU   1           H2       GLU   1   9.772 -33.108  -4.973
  415    H3   GLU   1           H3       GLU   1  10.110 -33.483  -3.358
  416    HA   GLU   1           HA       GLU   1   8.268 -35.028  -3.294
  417   1HB   GLU   1          1HB       GLU   1   7.898 -32.702  -2.619
  418   2HB   GLU   1          2HB       GLU   1   7.535 -32.264  -4.283
  419   1HG   GLU   1          1HG       GLU   1   5.577 -33.722  -4.242
  420   2HG   GLU   1          2HG       GLU   1   5.941 -34.162  -2.574
  421    H    ALA   2           H        ALA   2   9.069 -36.237  -5.406
  422    HA   ALA   2           HA       ALA   2   6.757 -36.241  -7.189
  423   1HB   ALA   2          1HB       ALA   2   8.405 -34.811  -8.301
  424   2HB   ALA   2          2HB       ALA   2   9.589 -36.115  -8.222
  425   3HB   ALA   2          3HB       ALA   2   8.132 -36.304  -9.198
  426    H    GLN   3           H        GLN   3   6.159 -38.245  -7.829
  427    HA   GLN   3           HA       GLN   3   8.001 -40.462  -7.792
  428   1HB   GLN   3          1HB       GLN   3   5.684 -40.401  -5.849
  429   2HB   GLN   3          2HB       GLN   3   6.703 -41.797  -6.172
  430   1HG   GLN   3          1HG       GLN   3   8.642 -40.580  -5.318
  431   2HG   GLN   3          2HG       GLN   3   7.618 -39.182  -4.993
  432   2HE2  GLN   3          2HE2      GLN   3   9.227 -40.795  -3.168
  433   1HE2  GLN   3          1HE2      GLN   3   8.136 -41.388  -1.967
  434    H    THR   4           H        THR   4   7.402 -42.007  -9.205
  435    HA   THR   4           HA       THR   4   4.639 -42.397  -9.945
  436    HB   THR   4           HB       THR   4   4.976 -41.985 -12.349
  437    HG1  THR   4           HG1      THR   4   7.055 -40.416 -12.424
  438   1HG2  THR   4          1HG2      THR   4   3.994 -40.219 -10.972
  439   2HG2  THR   4          2HG2      THR   4   5.603 -39.590 -10.617
  440   3HG2  THR   4          3HG2      THR   4   4.977 -39.533 -12.266
  441    H    GLU   5           H        GLU   5   4.276 -44.434 -10.643
  442    HA   GLU   5           HA       GLU   5   6.575 -46.220 -10.764
  443   1HB   GLU   5          1HB       GLU   5   3.613 -46.824 -10.719
  444   2HB   GLU   5          2HB       GLU   5   4.896 -48.025 -10.650
  445   1HG   GLU   5          1HG       GLU   5   3.975 -47.606  -8.449
  446   2HG   GLU   5          2HG       GLU   5   5.662 -47.100  -8.532
  447    H    THR   6           H        THR   6   6.761 -47.836 -12.443
  448    HA   THR   6           HA       THR   6   5.314 -47.354 -14.920
  449    HB   THR   6           HB       THR   6   8.326 -47.117 -14.778
  450    HG1  THR   6           HG1      THR   6   6.242 -45.290 -14.874
  451   1HG2  THR   6          1HG2      THR   6   7.598 -48.311 -16.788
  452   2HG2  THR   6          2HG2      THR   6   6.473 -47.006 -17.162
  453   3HG2  THR   6          3HG2      THR   6   8.210 -46.707 -17.191
  454    H    CYS   7           H        CYS   7   5.929 -48.978 -16.614
  455    HA   CYS   7           HA       CYS   7   6.602 -51.539 -15.325
  456   1HB   CYS   7          1HB       CYS   7   4.865 -51.011 -17.746
  457   2HB   CYS   7          2HB       CYS   7   5.255 -52.605 -17.110
  458    H    THR   8           H        THR   8   8.299 -49.422 -16.747
  459    HA   THR   8           HA       THR   8   9.317 -50.886 -19.037
  460    HB   THR   8           HB       THR   8   9.225 -48.457 -19.193
  461    HG1  THR   8           HG1      THR   8  11.845 -49.567 -19.082
  462   1HG2  THR   8          1HG2      THR   8   9.510 -47.914 -16.826
  463   2HG2  THR   8          2HG2      THR   8  11.184 -48.463 -16.894
  464   3HG2  THR   8          3HG2      THR   8  10.683 -47.045 -17.816
  465    H    VAL   9           H        VAL   9  10.066 -52.787 -17.988
  466    HA   VAL   9           HA       VAL   9  12.571 -52.393 -16.487
  467    HB   VAL   9           HB       VAL   9  10.564 -54.611 -16.064
  468   1HG1  VAL   9          1HG1      VAL   9  13.159 -53.999 -14.657
  469   2HG1  VAL   9          2HG1      VAL   9  12.001 -55.236 -14.170
  470   3HG1  VAL   9          3HG1      VAL   9  12.841 -55.372 -15.715
  471   1HG2  VAL   9          1HG2      VAL   9  11.282 -52.261 -14.313
  472   2HG2  VAL   9          2HG2      VAL   9   9.761 -52.494 -15.175
  473   3HG2  VAL   9          3HG2      VAL   9  10.206 -53.585 -13.864
  474    H    ALA  10           H        ALA  10  14.031 -54.312 -16.583
  475    HA   ALA  10           HA       ALA  10  14.132 -55.311 -19.324
  476   1HB   ALA  10          1HB       ALA  10  16.198 -55.466 -17.131
  477   2HB   ALA  10          2HB       ALA  10  16.431 -55.937 -18.815
  478   3HB   ALA  10          3HB       ALA  10  16.136 -54.247 -18.405
  479    HA   PRO  11           HA       PRO  11  12.314 -59.253 -18.530
  480   1HB   PRO  11          1HB       PRO  11  14.667 -60.103 -20.181
  481   2HB   PRO  11          2HB       PRO  11  12.976 -60.602 -20.303
  482   1HG   PRO  11          1HG       PRO  11  13.997 -58.785 -21.976
  483   2HG   PRO  11          2HG       PRO  11  12.336 -58.654 -21.373
  484   1HD   PRO  11          1HD       PRO  11  14.716 -57.038 -20.694
  485   2HD   PRO  11          2HD       PRO  11  12.996 -56.620 -20.580
  486    H    ARG  12           H        ARG  12  15.780 -58.716 -18.151
  487    HA   ARG  12           HA       ARG  12  16.032 -61.000 -16.366
  488   1HB   ARG  12          1HB       ARG  12  18.073 -58.973 -17.298
  489   2HB   ARG  12          2HB       ARG  12  18.429 -60.365 -16.284
  490   1HG   ARG  12          1HG       ARG  12  17.355 -60.460 -19.097
  491   2HG   ARG  12          2HG       ARG  12  19.019 -60.786 -18.604
  492   1HD   ARG  12          1HD       ARG  12  17.760 -62.855 -18.954
  493   2HD   ARG  12          2HD       ARG  12  18.273 -62.682 -17.276
  494    HE   ARG  12           HE       ARG  12  15.602 -61.735 -17.858
  495   1HH1  ARG  12          1HH1      ARG  12  17.588 -64.395 -16.807
  496   2HH1  ARG  12          2HH1      ARG  12  16.292 -65.212 -15.998
  497   1HH2  ARG  12          1HH2      ARG  12  13.889 -62.800 -16.793
  498   2HH2  ARG  12          2HH2      ARG  12  14.188 -64.305 -15.991
  499    H    GLU  13           H        GLU  13  15.796 -57.528 -16.243
  500    HA   GLU  13           HA       GLU  13  16.488 -57.465 -13.412
  501   1HB   GLU  13          1HB       GLU  13  15.749 -55.225 -15.302
  502   2HB   GLU  13          2HB       GLU  13  16.287 -55.019 -13.641
  503   1HG   GLU  13          1HG       GLU  13  17.900 -56.215 -15.882
  504   2HG   GLU  13          2HG       GLU  13  18.083 -54.591 -15.222
  505    H    ARG  14           H        ARG  14  13.774 -58.028 -15.232
  506    HA   ARG  14           HA       ARG  14  11.814 -56.577 -13.773
  507   1HB   ARG  14          1HB       ARG  14  11.546 -59.100 -15.420
  508   2HB   ARG  14          2HB       ARG  14  10.201 -58.131 -14.830
  509   1HG   ARG  14          1HG       ARG  14  10.959 -56.241 -16.165
  510   2HG   ARG  14          2HG       ARG  14  12.332 -57.190 -16.740
  511   1HD   ARG  14          1HD       ARG  14  10.782 -58.797 -17.755
  512   2HD   ARG  14          2HD       ARG  14   9.419 -57.827 -17.195
  513    HE   ARG  14           HE       ARG  14  11.067 -56.165 -18.699
  514   1HH1  ARG  14          1HH1      ARG  14   9.092 -58.994 -19.163
  515   2HH1  ARG  14          2HH1      ARG  14   8.730 -58.630 -20.817
  516   1HH2  ARG  14          1HH2      ARG  14  10.597 -55.675 -20.878
  517   2HH2  ARG  14          2HH2      ARG  14   9.587 -56.743 -21.792
  518    H    GLN  15           H        GLN  15  11.101 -56.917 -11.781
  519    HA   GLN  15           HA       GLN  15  11.985 -59.217 -10.300
  520   1HB   GLN  15          1HB       GLN  15  11.931 -56.990  -9.265
  521   2HB   GLN  15          2HB       GLN  15  10.187 -56.929  -9.478
  522   1HG   GLN  15          1HG       GLN  15  10.654 -57.479  -7.209
  523   2HG   GLN  15          2HG       GLN  15   9.987 -58.906  -7.999
  524   2HE2  GLN  15          2HE2      GLN  15  12.544 -59.397  -9.404
  525   1HE2  GLN  15          1HE2      GLN  15  13.591 -60.088  -8.218
  526    H    ASN  16           H        ASN  16  10.942 -60.990 -11.186
  527    HA   ASN  16           HA       ASN  16   8.465 -61.486 -12.009
  528   1HB   ASN  16          1HB       ASN  16  10.201 -63.222 -11.660
  529   2HB   ASN  16          2HB       ASN  16   9.859 -63.197  -9.934
  530   2HD2  ASN  16          2HD2      ASN  16   6.999 -62.861 -10.322
  531   1HD2  ASN  16          1HD2      ASN  16   6.399 -64.393 -10.844
  532    H    CYS  17           H        CYS  17   6.396 -61.686 -11.243
  533    HA   CYS  17           HA       CYS  17   5.955 -61.057  -8.400
  534   1HB   CYS  17          1HB       CYS  17   5.485 -59.043  -9.666
  535   2HB   CYS  17          2HB       CYS  17   4.461 -59.940 -10.781
  536    H    GLY  18           H        GLY  18   5.673 -63.311 -10.687
  537   1HA   GLY  18          1HA       GLY  18   3.069 -64.252 -10.677
  538   2HA   GLY  18          2HA       GLY  18   3.818 -64.882  -9.217
  539    H    PHE  19           H        PHE  19   2.923 -65.960 -11.985
  540    HA   PHE  19           HA       PHE  19   5.320 -67.608 -12.397
  541   1HB   PHE  19          1HB       PHE  19   3.757 -69.250 -13.443
  542   2HB   PHE  19          2HB       PHE  19   3.425 -68.940 -11.743
  543    HD1  PHE  19           HD1      PHE  19   2.182 -68.699 -15.137
  544    HD2  PHE  19           HD2      PHE  19   1.481 -67.583 -11.090
  545    HE1  PHE  19           HE1      PHE  19  -0.153 -68.158 -15.695
  546    HE2  PHE  19           HE2      PHE  19  -0.856 -67.041 -11.640
  547    HZ   PHE  19           HZ       PHE  19  -1.675 -67.328 -13.944
  548    HA   PRO  20           HA       PRO  20   5.980 -66.070 -16.454
  549   1HB   PRO  20          1HB       PRO  20   6.617 -68.345 -17.828
  550   2HB   PRO  20          2HB       PRO  20   7.722 -67.535 -16.711
  551   1HG   PRO  20          1HG       PRO  20   5.977 -69.922 -16.252
  552   2HG   PRO  20          2HG       PRO  20   7.652 -69.643 -15.739
  553   1HD   PRO  20          1HD       PRO  20   5.571 -69.358 -14.049
  554   2HD   PRO  20          2HD       PRO  20   7.016 -68.330 -13.946
  555    H    GLY  21           H        GLY  21   3.604 -68.527 -15.914
  556   1HA   GLY  21          1HA       GLY  21   1.956 -69.373 -17.378
  557   2HA   GLY  21          2HA       GLY  21   2.474 -68.215 -18.594
  558    H    VAL  22           H        VAL  22   2.364 -66.349 -16.002
  559    HA   VAL  22           HA       VAL  22  -0.352 -66.035 -15.372
  560    HB   VAL  22           HB       VAL  22   0.250 -63.812 -14.530
  561   1HG1  VAL  22          1HG1      VAL  22   2.233 -65.993 -13.903
  562   2HG1  VAL  22          2HG1      VAL  22   2.024 -64.528 -12.944
  563   3HG1  VAL  22          3HG1      VAL  22   0.698 -65.681 -13.093
  564   1HG2  VAL  22          1HG2      VAL  22   2.917 -64.342 -15.838
  565   2HG2  VAL  22          2HG2      VAL  22   1.751 -63.098 -16.294
  566   3HG2  VAL  22          3HG2      VAL  22   2.571 -63.010 -14.734
  567    H    THR  23           H        THR  23  -1.819 -64.344 -15.985
  568    HA   THR  23           HA       THR  23  -1.368 -63.339 -18.720
  569    HB   THR  23           HB       THR  23  -3.795 -63.497 -19.103
  570    HG1  THR  23           HG1      THR  23  -3.950 -63.703 -16.517
  571   1HG2  THR  23          1HG2      THR  23  -2.544 -66.095 -18.205
  572   2HG2  THR  23          2HG2      THR  23  -3.948 -65.943 -19.262
  573   3HG2  THR  23          3HG2      THR  23  -2.373 -65.356 -19.798
  574    HA   PRO  24           HA       PRO  24  -2.401 -59.166 -17.789
  575   1HB   PRO  24          1HB       PRO  24  -5.110 -59.491 -18.997
  576   2HB   PRO  24          2HB       PRO  24  -3.878 -58.265 -19.313
  577   1HG   PRO  24          1HG       PRO  24  -4.284 -60.253 -21.035
  578   2HG   PRO  24          2HG       PRO  24  -2.646 -59.668 -20.691
  579   1HD   PRO  24          1HD       PRO  24  -4.002 -62.161 -19.776
  580   2HD   PRO  24          2HD       PRO  24  -2.293 -61.880 -20.165
  581    H    SER  25           H        SER  25  -5.478 -60.960 -17.502
  582    HA   SER  25           HA       SER  25  -6.527 -59.451 -15.400
  583   1HB   SER  25          1HB       SER  25  -8.051 -61.361 -15.029
  584   2HB   SER  25          2HB       SER  25  -7.906 -60.964 -16.740
  585    HG   SER  25           HG       SER  25  -7.613 -63.295 -15.776
  586    H    GLN  26           H        GLN  26  -4.911 -62.627 -15.249
  587    HA   GLN  26           HA       GLN  26  -4.886 -62.989 -12.521
  588   1HB   GLN  26          1HB       GLN  26  -2.691 -63.702 -14.476
  589   2HB   GLN  26          2HB       GLN  26  -2.875 -64.378 -12.863
  590   1HG   GLN  26          1HG       GLN  26  -5.013 -65.353 -13.506
  591   2HG   GLN  26          2HG       GLN  26  -4.847 -64.662 -15.120
  592   2HE2  GLN  26          2HE2      GLN  26  -1.959 -65.167 -15.161
  593   1HE2  GLN  26          1HE2      GLN  26  -1.782 -66.861 -15.447
  594    H    CYS  27           H        CYS  27  -1.962 -61.906 -14.240
  595    HA   CYS  27           HA       CYS  27  -0.389 -61.046 -12.289
  596   1HB   CYS  27          1HB       CYS  27   0.118 -60.716 -14.675
  597   2HB   CYS  27          2HB       CYS  27  -1.020 -59.374 -14.732
  598    H    ALA  28           H        ALA  28  -3.001 -58.994 -13.582
  599    HA   ALA  28           HA       ALA  28  -2.762 -56.843 -11.865
  600   1HB   ALA  28          1HB       ALA  28  -4.257 -56.873 -13.801
  601   2HB   ALA  28          2HB       ALA  28  -5.319 -58.007 -12.964
  602   3HB   ALA  28          3HB       ALA  28  -5.106 -56.371 -12.339
  603    H    ASN  29           H        ASN  29  -4.303 -59.959 -11.330
  604    HA   ASN  29           HA       ASN  29  -5.715 -59.512  -9.012
  605   1HB   ASN  29          1HB       ASN  29  -5.701 -61.670 -10.168
  606   2HB   ASN  29          2HB       ASN  29  -4.023 -61.926  -9.699
  607   2HD2  ASN  29          2HD2      ASN  29  -4.506 -63.819  -8.614
  608   1HD2  ASN  29          1HD2      ASN  29  -5.334 -63.831  -7.098
  609    H    LYS  30           H        LYS  30  -2.255 -59.776  -9.461
  610    HA   LYS  30           HA       LYS  30  -1.794 -59.471  -6.589
  611   1HB   LYS  30          1HB       LYS  30   0.105 -59.939  -8.892
  612   2HB   LYS  30          2HB       LYS  30   0.621 -59.699  -7.229
  613   1HG   LYS  30          1HG       LYS  30   0.601 -62.050  -7.762
  614   2HG   LYS  30          2HG       LYS  30  -0.644 -61.695  -6.563
  615   1HD   LYS  30          1HD       LYS  30  -1.503 -63.218  -8.249
  616   2HD   LYS  30          2HD       LYS  30  -2.333 -61.663  -8.348
  617   1HE   LYS  30          1HE       LYS  30  -0.938 -61.012 -10.226
  618   2HE   LYS  30          2HE       LYS  30  -0.035 -62.521 -10.102
  619   1HZ   LYS  30          1HZ       LYS  30  -2.941 -62.346 -10.679
  620   2HZ   LYS  30          2HZ       LYS  30  -1.741 -62.554 -11.853
  621   3HZ   LYS  30          3HZ       LYS  30  -1.996 -63.748 -10.682
  622    H    GLY  31           H        GLY  31  -2.077 -57.618  -9.417
  623   1HA   GLY  31          1HA       GLY  31  -1.437 -55.206  -7.965
  624   2HA   GLY  31          2HA       GLY  31  -2.065 -55.306  -9.604
  625    H    CYS  32           H        CYS  32  -0.043 -57.016 -10.655
  626    HA   CYS  32           HA       CYS  32   2.274 -55.195 -10.570
  627   1HB   CYS  32          1HB       CYS  32   2.234 -58.184 -11.026
  628   2HB   CYS  32          2HB       CYS  32   3.660 -57.169 -11.212
  629    H    CYS  33           H        CYS  33   3.544 -55.113 -12.579
  630    HA   CYS  33           HA       CYS  33   1.915 -54.598 -14.829
  631   1HB   CYS  33          1HB       CYS  33   4.917 -54.930 -14.652
  632   2HB   CYS  33          2HB       CYS  33   4.052 -54.262 -16.031
  633    H    PHE  34           H        PHE  34   1.977 -55.630 -16.910
  634    HA   PHE  34           HA       PHE  34   2.761 -58.466 -16.827
  635   1HB   PHE  34          1HB       PHE  34   0.333 -58.314 -16.514
  636   2HB   PHE  34          2HB       PHE  34   0.194 -57.359 -17.987
  637    HD1  PHE  34           HD1      PHE  34   0.505 -58.392 -20.174
  638    HD2  PHE  34           HD2      PHE  34   0.659 -60.687 -16.593
  639    HE1  PHE  34           HE1      PHE  34   0.251 -60.455 -21.490
  640    HE2  PHE  34           HE2      PHE  34   0.406 -62.754 -17.902
  641    HZ   PHE  34           HZ       PHE  34   0.202 -62.640 -20.354
  642    H    ASP  35           H        ASP  35   4.211 -58.871 -18.345
  643    HA   ASP  35           HA       ASP  35   3.977 -57.482 -20.928
  644   1HB   ASP  35          1HB       ASP  35   5.824 -56.488 -19.660
  645   2HB   ASP  35          2HB       ASP  35   6.539 -58.082 -19.432
  646    H    ASP  36           H        ASP  36   3.162 -59.117 -22.132
  647    HA   ASP  36           HA       ASP  36   4.327 -61.781 -21.940
  648   1HB   ASP  36          1HB       ASP  36   2.516 -62.445 -23.478
  649   2HB   ASP  36          2HB       ASP  36   1.893 -61.615 -22.055
  650    H    THR  37           H        THR  37   5.768 -59.426 -23.081
  651    HA   THR  37           HA       THR  37   6.008 -60.089 -25.901
  652    HB   THR  37           HB       THR  37   7.624 -58.230 -25.999
  653    HG1  THR  37           HG1      THR  37   7.101 -57.274 -23.487
  654   1HG2  THR  37          1HG2      THR  37   5.240 -57.756 -26.283
  655   2HG2  THR  37          2HG2      THR  37   5.071 -57.531 -24.542
  656   3HG2  THR  37          3HG2      THR  37   6.060 -56.415 -25.484
  657    H    VAL  38           H        VAL  38   8.345 -59.703 -23.228
  658    HA   VAL  38           HA       VAL  38  10.290 -61.330 -24.598
  659    HB   VAL  38           HB       VAL  38  10.351 -60.206 -21.793
  660   1HG1  VAL  38          1HG1      VAL  38  12.549 -61.379 -23.493
  661   2HG1  VAL  38          2HG1      VAL  38  12.772 -60.596 -21.929
  662   3HG1  VAL  38          3HG1      VAL  38  11.854 -62.097 -22.041
  663   1HG2  VAL  38          1HG2      VAL  38  10.205 -58.451 -23.476
  664   2HG2  VAL  38          2HG2      VAL  38  11.810 -58.478 -22.745
  665   3HG2  VAL  38          3HG2      VAL  38  11.561 -59.160 -24.352
  666    H    ARG  39           H        ARG  39  10.372 -63.470 -24.520
  667    HA   ARG  39           HA       ARG  39   8.819 -64.908 -22.526
  668   1HB   ARG  39          1HB       ARG  39  10.392 -65.914 -24.904
  669   2HB   ARG  39          2HB       ARG  39   9.366 -66.903 -23.875
  670   1HG   ARG  39          1HG       ARG  39   7.416 -65.609 -24.556
  671   2HG   ARG  39          2HG       ARG  39   8.441 -64.597 -25.576
  672   1HD   ARG  39          1HD       ARG  39   8.021 -67.568 -25.880
  673   2HD   ARG  39          2HD       ARG  39   7.297 -66.314 -26.885
  674    HE   ARG  39           HE       ARG  39  10.087 -66.018 -26.928
  675   1HH1  ARG  39          1HH1      ARG  39   7.609 -68.196 -28.040
  676   2HH1  ARG  39          2HH1      ARG  39   8.519 -68.738 -29.411
  677   1HH2  ARG  39          1HH2      ARG  39  11.294 -66.723 -28.730
  678   2HH2  ARG  39          2HH2      ARG  39  10.615 -67.900 -29.803
  679    H    GLY  40           H        GLY  40  10.044 -67.166 -21.992
  680   1HA   GLY  40          1HA       GLY  40  12.828 -66.985 -21.443
  681   2HA   GLY  40          2HA       GLY  40  11.723 -68.189 -20.797
  682    H    VAL  41           H        VAL  41  11.405 -64.706 -20.399
  683    HA   VAL  41           HA       VAL  41  12.244 -64.943 -17.599
  684    HB   VAL  41           HB       VAL  41  12.343 -62.512 -17.563
  685   1HG1  VAL  41          1HG1      VAL  41  14.307 -63.737 -18.337
  686   2HG1  VAL  41          2HG1      VAL  41  13.714 -63.653 -19.995
  687   3HG1  VAL  41          3HG1      VAL  41  14.172 -62.176 -19.147
  688   1HG2  VAL  41          1HG2      VAL  41  10.465 -62.068 -19.075
  689   2HG2  VAL  41          2HG2      VAL  41  11.911 -61.182 -19.557
  690   3HG2  VAL  41          3HG2      VAL  41  11.433 -62.633 -20.438
  691    HA   PRO  42           HA       PRO  42   8.236 -64.339 -15.869
  692   1HB   PRO  42          1HB       PRO  42   8.538 -62.265 -14.128
  693   2HB   PRO  42          2HB       PRO  42   9.169 -63.887 -13.821
  694   1HG   PRO  42          1HG       PRO  42  10.591 -61.463 -14.851
  695   2HG   PRO  42          2HG       PRO  42  11.131 -62.652 -13.650
  696   1HD   PRO  42          1HD       PRO  42  11.977 -62.707 -16.214
  697   2HD   PRO  42          2HD       PRO  42  11.746 -64.187 -15.262
  698    H    TRP  43           H        TRP  43   6.451 -63.505 -16.742
  699    HA   TRP  43           HA       TRP  43   6.585 -61.124 -18.348
  700   1HB   TRP  43          1HB       TRP  43   4.226 -62.884 -17.647
  701   2HB   TRP  43          2HB       TRP  43   4.219 -61.606 -18.858
  702    HD1  TRP  43           HD1      TRP  43   7.338 -62.683 -19.760
  703    HE1  TRP  43           HE1      TRP  43   7.369 -64.642 -21.428
  704    HE3  TRP  43           HE3      TRP  43   2.567 -64.395 -19.093
  705    HZ2  TRP  43           HZ2      TRP  43   5.605 -66.648 -22.342
  706    HZ3  TRP  43           HZ3      TRP  43   1.817 -66.338 -20.404
  707    HH2  TRP  43           HH2      TRP  43   3.305 -67.439 -21.995
  708    H    CYS  44           H        CYS  44   4.861 -62.089 -15.393
  709    HA   CYS  44           HA       CYS  44   3.956 -59.349 -14.988
  710   1HB   CYS  44          1HB       CYS  44   2.383 -61.194 -14.574
  711   2HB   CYS  44          2HB       CYS  44   3.464 -61.841 -13.344
  712    H    PHE  45           H        PHE  45   5.036 -57.930 -13.788
  713    HA   PHE  45           HA       PHE  45   6.717 -58.869 -11.590
  714   1HB   PHE  45          1HB       PHE  45   8.593 -57.440 -12.315
  715   2HB   PHE  45          2HB       PHE  45   8.244 -58.710 -13.484
  716    HD1  PHE  45           HD1      PHE  45   7.443 -58.194 -15.676
  717    HD2  PHE  45           HD2      PHE  45   8.036 -55.109 -12.804
  718    HE1  PHE  45           HE1      PHE  45   7.244 -56.506 -17.455
  719    HE2  PHE  45           HE2      PHE  45   7.837 -53.415 -14.577
  720    HZ   PHE  45           HZ       PHE  45   7.440 -54.112 -16.906
  721    H    TYR  46           H        TYR  46   7.570 -56.953 -10.303
  722    HA   TYR  46           HA       TYR  46   5.338 -55.290  -9.631
  723   1HB   TYR  46          1HB       TYR  46   8.174 -55.283  -8.579
  724   2HB   TYR  46          2HB       TYR  46   6.826 -54.399  -7.872
  725    HD1  TYR  46           HD1      TYR  46   5.138 -55.536  -6.573
  726    HD2  TYR  46           HD2      TYR  46   8.300 -57.720  -8.398
  727    HE1  TYR  46           HE1      TYR  46   4.573 -57.495  -5.197
  728    HE2  TYR  46           HE2      TYR  46   7.742 -59.684  -7.029
  729    HH   TYR  46           HH       TYR  46   6.614 -60.193  -4.911
  730    HA   PRO  47           HA       PRO  47   6.277 -51.676 -11.962
  731   1HB   PRO  47          1HB       PRO  47   5.399 -49.721 -10.303
  732   2HB   PRO  47          2HB       PRO  47   4.302 -50.803 -11.170
  733   1HG   PRO  47          1HG       PRO  47   5.237 -50.931  -8.329
  734   2HG   PRO  47          2HG       PRO  47   3.609 -51.190  -8.984
  735   1HD   PRO  47          1HD       PRO  47   5.258 -53.234  -8.311
  736   2HD   PRO  47          2HD       PRO  47   4.074 -53.350  -9.629
  737    H    ASN  48           H        ASN  48   7.221 -49.336 -11.554
  738    HA   ASN  48           HA       ASN  48   9.514 -49.517  -9.724
  739   1HB   ASN  48          1HB       ASN  48   9.626 -48.619 -12.611
  740   2HB   ASN  48          2HB       ASN  48  10.963 -48.531 -11.467
  741   2HD2  ASN  48          2HD2      ASN  48   8.954 -50.624 -13.380
  742   1HD2  ASN  48          1HD2      ASN  48   9.947 -52.031 -13.250
  743    H    THR  49           H        THR  49   9.056 -47.974  -8.281
  744    HA   THR  49           HA       THR  49   7.795 -45.492  -9.076
  745    HB   THR  49           HB       THR  49   8.801 -46.394  -6.370
  746    HG1  THR  49           HG1      THR  49   6.624 -46.842  -5.985
  747   1HG2  THR  49          1HG2      THR  49   7.073 -44.034  -7.125
  748   2HG2  THR  49          2HG2      THR  49   7.454 -44.546  -5.481
  749   3HG2  THR  49          3HG2      THR  49   8.735 -43.956  -6.540
  750    H    ILE  50           H        ILE  50   9.155 -44.215 -10.222
  751    HA   ILE  50           HA       ILE  50  11.857 -43.741  -9.190
  752    HB   ILE  50           HB       ILE  50  10.617 -42.936 -11.825
  753   1HG1  ILE  50          1HG1      ILE  50  12.660 -45.063 -11.142
  754   2HG1  ILE  50          2HG1      ILE  50  10.992 -45.352 -11.628
  755   1HG2  ILE  50          1HG2      ILE  50  13.451 -42.645 -10.836
  756   2HG2  ILE  50          2HG2      ILE  50  12.896 -42.299 -12.473
  757   3HG2  ILE  50          3HG2      ILE  50  12.304 -41.336 -11.120
  758   1HD1  ILE  50          1HD1      ILE  50  13.129 -44.082 -13.324
  759   2HD1  ILE  50          2HD1      ILE  50  12.530 -45.735 -13.465
  760   3HD1  ILE  50          3HD1      ILE  50  11.460 -44.377 -13.812
  761    H    ASP  51           H        ASP  51  12.596 -41.719  -8.622
  762    HA   ASP  51           HA       ASP  51  10.655 -39.515  -8.638
  763   1HB   ASP  51          1HB       ASP  51  11.311 -38.910  -6.339
  764   2HB   ASP  51          2HB       ASP  51  10.570 -40.507  -6.407
  765    H    VAL  52           H        VAL  52  11.805 -37.411  -7.939
  766    HA   VAL  52           HA       VAL  52  14.541 -37.359  -9.024
  767    HB   VAL  52           HB       VAL  52  14.072 -35.233 -10.134
  768   1HG1  VAL  52          1HG1      VAL  52  12.143 -37.418 -10.911
  769   2HG1  VAL  52          2HG1      VAL  52  12.650 -36.081 -11.944
  770   3HG1  VAL  52          3HG1      VAL  52  13.827 -37.285 -11.417
  771   1HG2  VAL  52          1HG2      VAL  52  11.222 -35.680  -9.248
  772   2HG2  VAL  52          2HG2      VAL  52  12.307 -34.414  -8.674
  773   3HG2  VAL  52          3HG2      VAL  52  11.767 -34.418 -10.353
  774    HA   PRO  53           HA       PRO  53  14.074 -35.141  -4.886
  775   1HB   PRO  53          1HB       PRO  53  15.816 -36.684  -3.491
  776   2HB   PRO  53          2HB       PRO  53  14.095 -37.064  -3.625
  777   1HG   PRO  53          1HG       PRO  53  16.410 -38.193  -5.155
  778   2HG   PRO  53          2HG       PRO  53  15.015 -39.035  -4.453
  779   1HD   PRO  53          1HD       PRO  53  15.176 -38.419  -7.087
  780   2HD   PRO  53          2HD       PRO  53  13.633 -38.474  -6.211
  781    HA   PRO  54           HA       PRO  54  17.762 -32.827  -5.631
  782   1HB   PRO  54          1HB       PRO  54  18.119 -31.660  -3.209
  783   2HB   PRO  54          2HB       PRO  54  16.833 -31.180  -4.322
  784   1HG   PRO  54          1HG       PRO  54  16.697 -32.979  -1.933
  785   2HG   PRO  54          2HG       PRO  54  15.569 -31.708  -2.442
  786   1HD   PRO  54          1HD       PRO  54  15.108 -34.339  -2.899
  787   2HD   PRO  54          2HD       PRO  54  14.546 -33.066  -3.999
  788    H    GLU  55           H        GLU  55  18.320 -33.419  -2.222
  789    HA   GLU  55           HA       GLU  55  20.186 -35.548  -2.584
  790   1HB   GLU  55          1HB       GLU  55  21.295 -32.793  -2.013
  791   2HB   GLU  55          2HB       GLU  55  22.211 -34.291  -1.934
  792   1HG   GLU  55          1HG       GLU  55  21.853 -34.651  -4.314
  793   2HG   GLU  55          2HG       GLU  55  20.906 -33.165  -4.403
  794    H    GLU  56           H        GLU  56  21.800 -35.196  -0.384
  795    HA   GLU  56           HA       GLU  56  19.823 -35.299   1.783
  796   1HB   GLU  56          1HB       GLU  56  22.630 -36.419   1.655
  797   2HB   GLU  56          2HB       GLU  56  21.528 -36.591   3.014
  798   1HG   GLU  56          1HG       GLU  56  21.097 -37.679   0.242
  799   2HG   GLU  56          2HG       GLU  56  21.590 -38.606   1.658
  800    H    GLU  57           H        GLU  57  22.277 -35.210   3.619
  801    HA   GLU  57           HA       GLU  57  22.183 -32.335   4.024
  802   1HB   GLU  57          1HB       GLU  57  23.479 -34.514   5.673
  803   2HB   GLU  57          2HB       GLU  57  23.350 -32.825   6.142
  804   1HG   GLU  57          1HG       GLU  57  20.916 -33.009   6.146
  805   2HG   GLU  57          2HG       GLU  57  21.045 -34.702   5.673
  806    H    CYS  58           H        CYS  58  23.571 -31.123   2.920
  807    HA   CYS  58           HA       CYS  58  26.231 -32.181   2.301
  808   1HB   CYS  58          1HB       CYS  58  24.787 -29.745   1.238
  809   2HB   CYS  58          2HB       CYS  58  26.387 -30.273   0.729
  810    H    GLU  59           H        GLU  59  27.648 -31.809   3.885
  811    HA   GLU  59           HA       GLU  59  27.981 -29.049   4.805
  812   1HB   GLU  59          1HB       GLU  59  27.898 -31.455   6.634
  813   2HB   GLU  59          2HB       GLU  59  28.322 -29.821   7.124
  814   1HG   GLU  59          1HG       GLU  59  25.657 -30.705   6.039
  815   2HG   GLU  59          2HG       GLU  59  26.033 -30.363   7.729
  816    H    PHE  60           H        PHE  60  29.903 -28.640   3.871
  817    HA   PHE  60           HA       PHE  60  32.211 -30.101   4.840
  818   1HB   PHE  60          1HB       PHE  60  31.617 -31.376   2.837
  819   2HB   PHE  60          2HB       PHE  60  31.617 -29.898   1.880
  820    HD1  PHE  60           HD1      PHE  60  33.675 -32.416   3.530
  821    HD2  PHE  60           HD2      PHE  60  33.696 -28.809   1.272
  822    HE1  PHE  60           HE1      PHE  60  36.068 -32.732   3.055
  823    HE2  PHE  60           HE2      PHE  60  36.089 -29.119   0.791
  824    HZ   PHE  60           HZ       PHE  60  37.278 -31.083   1.683

  No H/Q in entry =         824
  Start of MODEL    9
    1    H1   GLU   1           H1       GLU   1  19.576 -18.511  -1.030
    2    H2   GLU   1           H2       GLU   1  19.874 -19.571   0.254
    3    H3   GLU   1           H3       GLU   1  19.432 -20.181  -1.261
    4    HA   GLU   1           HA       GLU   1  17.268 -19.150  -1.085
    5   1HB   GLU   1          1HB       GLU   1  17.561 -21.452  -0.296
    6   2HB   GLU   1          2HB       GLU   1  18.018 -20.860   1.295
    7   1HG   GLU   1          1HG       GLU   1  15.793 -19.901   1.582
    8   2HG   GLU   1          2HG       GLU   1  15.334 -20.490  -0.014
    9    H    ALA   2           H        ALA   2  18.310 -16.867  -0.525
   10    HA   ALA   2           HA       ALA   2  17.372 -16.142   2.175
   11   1HB   ALA   2          1HB       ALA   2  19.789 -15.849   1.916
   12   2HB   ALA   2          2HB       ALA   2  18.969 -14.305   2.154
   13   3HB   ALA   2          3HB       ALA   2  19.510 -14.777   0.543
   14    H    GLN   3           H        GLN   3  15.498 -16.301   0.207
   15    HA   GLN   3           HA       GLN   3  15.121 -13.664  -0.954
   16   1HB   GLN   3          1HB       GLN   3  13.352 -16.116  -1.046
   17   2HB   GLN   3          2HB       GLN   3  13.109 -14.643  -1.975
   18   1HG   GLN   3          1HG       GLN   3  14.107 -16.391  -3.331
   19   2HG   GLN   3          2HG       GLN   3  15.200 -15.019  -3.154
   20   2HE2  GLN   3          2HE2      GLN   3  14.577 -18.325  -2.265
   21   1HE2  GLN   3          1HE2      GLN   3  16.160 -18.676  -1.672
   22    H    THR   4           H        THR   4  13.494 -12.230  -0.415
   23    HA   THR   4           HA       THR   4  11.538 -12.818   1.593
   24    HB   THR   4           HB       THR   4  12.306 -11.186   3.265
   25    HG1  THR   4           HG1      THR   4  13.956  -9.930   2.846
   26   1HG2  THR   4          1HG2      THR   4  14.339 -13.335   2.649
   27   2HG2  THR   4          2HG2      THR   4  14.157 -12.511   4.198
   28   3HG2  THR   4          3HG2      THR   4  12.861 -13.541   3.588
   29    H    GLU   5           H        GLU   5   9.930 -11.264   1.712
   30    HA   GLU   5           HA       GLU   5  10.021  -9.258  -0.412
   31   1HB   GLU   5          1HB       GLU   5   7.699 -10.254   1.251
   32   2HB   GLU   5          2HB       GLU   5   7.581  -9.106  -0.076
   33   1HG   GLU   5          1HG       GLU   5   8.388 -10.809  -1.627
   34   2HG   GLU   5          2HG       GLU   5   8.511 -11.960  -0.297
   35    H    THR   6           H        THR   6  10.197  -7.147  -0.023
   36    HA   THR   6           HA       THR   6  10.123  -6.244   2.769
   37    HB   THR   6           HB       THR   6  11.329  -4.909   0.338
   38    HG1  THR   6           HG1      THR   6  12.700  -5.947   2.596
   39   1HG2  THR   6          1HG2      THR   6  11.420  -4.115   3.251
   40   2HG2  THR   6          2HG2      THR   6  12.313  -3.335   1.945
   41   3HG2  THR   6          3HG2      THR   6  10.550  -3.267   1.972
   42    H    CYS   7           H        CYS   7   9.320  -3.986   3.118
   43    HA   CYS   7           HA       CYS   7   7.258  -3.122   1.250
   44   1HB   CYS   7          1HB       CYS   7   6.670  -3.832   4.130
   45   2HB   CYS   7          2HB       CYS   7   5.554  -2.999   3.053
   46    H    THR   8           H        THR   8   9.869  -2.196   2.538
   47    HA   THR   8           HA       THR   8   8.928   0.274   3.809
   48    HB   THR   8           HB       THR   8  10.669  -0.916   5.032
   49    HG1  THR   8           HG1      THR   8  11.423   0.991   5.532
   50   1HG2  THR   8          1HG2      THR   8  12.352  -0.520   2.555
   51   2HG2  THR   8          2HG2      THR   8  12.928  -1.150   4.098
   52   3HG2  THR   8          3HG2      THR   8  11.744  -2.060   3.161
   53    H    VAL   9           H        VAL   9   8.176   0.661   1.433
   54    HA   VAL   9           HA       VAL   9  10.352   1.835  -0.152
   55    HB   VAL   9           HB       VAL   9   7.510   1.215  -0.972
   56   1HG1  VAL   9          1HG1      VAL   9   8.429   3.098  -2.210
   57   2HG1  VAL   9          2HG1      VAL   9   9.865   2.154  -2.606
   58   3HG1  VAL   9          3HG1      VAL   9   8.293   1.679  -3.249
   59   1HG2  VAL   9          1HG2      VAL   9   8.802  -0.808  -0.573
   60   2HG2  VAL   9          2HG2      VAL   9   8.512  -0.589  -2.298
   61   3HG2  VAL   9          3HG2      VAL   9  10.093  -0.207  -1.614
   62    H    ALA  10           H        ALA  10   9.720   3.854  -1.386
   63    HA   ALA  10           HA       ALA  10   8.838   5.833   0.504
   64   1HB   ALA  10          1HB       ALA  10  10.709   6.271  -1.015
   65   2HB   ALA  10          2HB       ALA  10   9.616   6.145  -2.394
   66   3HB   ALA  10          3HB       ALA  10   9.415   7.450  -1.224
   67    HA   PRO  11           HA       PRO  11   4.481   5.527  -0.379
   68   1HB   PRO  11          1HB       PRO  11   4.693   8.394   0.443
   69   2HB   PRO  11          2HB       PRO  11   3.542   7.157   0.965
   70   1HG   PRO  11          1HG       PRO  11   5.578   7.864   2.530
   71   2HG   PRO  11          2HG       PRO  11   5.054   6.173   2.420
   72   1HD   PRO  11          1HD       PRO  11   7.460   7.490   1.271
   73   2HD   PRO  11          2HD       PRO  11   7.239   5.816   1.820
   74    H    ARG  12           H        ARG  12   6.441   8.279  -1.458
   75    HA   ARG  12           HA       ARG  12   4.605   9.128  -3.461
   76   1HB   ARG  12          1HB       ARG  12   6.453  10.541  -4.258
   77   2HB   ARG  12          2HB       ARG  12   6.235  10.672  -2.518
   78   1HG   ARG  12          1HG       ARG  12   8.122   9.179  -2.155
   79   2HG   ARG  12          2HG       ARG  12   8.330   9.007  -3.899
   80   1HD   ARG  12          1HD       ARG  12   8.569  11.572  -2.329
   81   2HD   ARG  12          2HD       ARG  12   9.911  10.621  -2.964
   82    HE   ARG  12           HE       ARG  12   8.085  11.361  -5.019
   83   1HH1  ARG  12          1HH1      ARG  12  10.688  12.558  -3.038
   84   2HH1  ARG  12          2HH1      ARG  12  11.182  13.757  -4.186
   85   1HH2  ARG  12          1HH2      ARG  12   8.729  12.937  -6.538
   86   2HH2  ARG  12          2HH2      ARG  12  10.069  13.972  -6.176
   87    H    GLU  13           H        GLU  13   7.215   6.823  -3.353
   88    HA   GLU  13           HA       GLU  13   6.924   6.362  -6.246
   89   1HB   GLU  13          1HB       GLU  13   9.213   5.630  -4.410
   90   2HB   GLU  13          2HB       GLU  13   9.139   5.280  -6.132
   91   1HG   GLU  13          1HG       GLU  13   9.090   7.671  -6.619
   92   2HG   GLU  13          2HG       GLU  13   9.162   8.023  -4.894
   93    H    ARG  14           H        ARG  14   4.978   5.331  -4.552
   94    HA   ARG  14           HA       ARG  14   5.637   2.469  -4.405
   95   1HB   ARG  14          1HB       ARG  14   3.397   4.006  -3.078
   96   2HB   ARG  14          2HB       ARG  14   3.665   2.275  -2.925
   97   1HG   ARG  14          1HG       ARG  14   5.837   2.711  -1.879
   98   2HG   ARG  14          2HG       ARG  14   5.539   4.446  -2.009
   99   1HD   ARG  14          1HD       ARG  14   3.554   4.204  -0.592
  100   2HD   ARG  14          2HD       ARG  14   3.863   2.473  -0.460
  101    HE   ARG  14           HE       ARG  14   6.157   3.806   0.386
  102   1HH1  ARG  14          1HH1      ARG  14   2.835   3.442   1.357
  103   2HH1  ARG  14          2HH1      ARG  14   3.164   3.670   3.041
  104   1HH2  ARG  14          1HH2      ARG  14   6.606   4.108   2.604
  105   2HH2  ARG  14          2HH2      ARG  14   5.309   4.049   3.751
  106    H    GLN  15           H        GLN  15   4.942   1.264  -6.027
  107    HA   GLN  15           HA       GLN  15   2.818   2.218  -7.762
  108   1HB   GLN  15          1HB       GLN  15   4.536  -0.264  -7.930
  109   2HB   GLN  15          2HB       GLN  15   3.401   0.270  -9.161
  110   1HG   GLN  15          1HG       GLN  15   5.858   1.752  -8.252
  111   2HG   GLN  15          2HG       GLN  15   5.680   0.847  -9.755
  112   2HE2  GLN  15          2HE2      GLN  15   6.301   3.669  -9.318
  113   1HE2  GLN  15          1HE2      GLN  15   5.086   4.560 -10.164
  114    H    ASN  16           H        ASN  16   0.861   1.964  -6.819
  115    HA   ASN  16           HA       ASN  16  -0.205   0.406  -5.022
  116   1HB   ASN  16          1HB       ASN  16  -1.578   1.837  -6.458
  117   2HB   ASN  16          2HB       ASN  16  -1.422   0.683  -7.778
  118   2HD2  ASN  16          2HD2      ASN  16  -3.795   1.692  -6.389
  119   1HD2  ASN  16          1HD2      ASN  16  -4.622   0.296  -5.797
  120    H    CYS  17           H        CYS  17  -1.072  -1.687  -4.751
  121    HA   CYS  17           HA       CYS  17  -0.275  -3.712  -6.706
  122   1HB   CYS  17          1HB       CYS  17   1.570  -3.581  -5.089
  123   2HB   CYS  17          2HB       CYS  17   0.436  -3.824  -3.767
  124    H    GLY  18           H        GLY  18  -2.627  -2.378  -4.950
  125   1HA   GLY  18          1HA       GLY  18  -4.126  -4.018  -3.523
  126   2HA   GLY  18          2HA       GLY  18  -4.258  -4.796  -5.094
  127    H    PHE  19           H        PHE  19  -6.155  -3.267  -3.247
  128    HA   PHE  19           HA       PHE  19  -7.285  -1.564  -5.358
  129   1HB   PHE  19          1HB       PHE  19  -9.452  -1.889  -4.219
  130   2HB   PHE  19          2HB       PHE  19  -8.729  -3.411  -4.716
  131    HD1  PHE  19           HD1      PHE  19  -9.869  -1.403  -1.939
  132    HD2  PHE  19           HD2      PHE  19  -7.701  -4.898  -3.031
  133    HE1  PHE  19           HE1      PHE  19 -10.099  -2.257   0.358
  134    HE2  PHE  19           HE2      PHE  19  -7.925  -5.759  -0.737
  135    HZ   PHE  19           HZ       PHE  19  -9.127  -4.439   0.960
  136    HA   PRO  20           HA       PRO  20  -7.250   2.128  -2.988
  137   1HB   PRO  20          1HB       PRO  20  -9.827   2.880  -2.510
  138   2HB   PRO  20          2HB       PRO  20  -9.051   3.014  -4.092
  139   1HG   PRO  20          1HG       PRO  20 -10.910   0.908  -3.062
  140   2HG   PRO  20          2HG       PRO  20 -10.870   1.687  -4.655
  141   1HD   PRO  20          1HD       PRO  20  -9.855  -0.778  -4.225
  142   2HD   PRO  20          2HD       PRO  20  -9.154   0.341  -5.410
  143    H    GLY  21           H        GLY  21 -10.086   0.528  -1.516
  144   1HA   GLY  21          1HA       GLY  21 -10.685   0.389   0.715
  145   2HA   GLY  21          2HA       GLY  21  -9.303   1.398   1.111
  146    H    VAL  22           H        VAL  22  -7.433  -0.405  -0.292
  147    HA   VAL  22           HA       VAL  22  -7.515  -3.015   0.672
  148    HB   VAL  22           HB       VAL  22  -5.065  -3.059   0.360
  149   1HG1  VAL  22          1HG1      VAL  22  -6.717  -1.761  -1.797
  150   2HG1  VAL  22          2HG1      VAL  22  -5.091  -2.391  -2.063
  151   3HG1  VAL  22          3HG1      VAL  22  -6.389  -3.479  -1.570
  152   1HG2  VAL  22          1HG2      VAL  22  -5.407  -0.103  -0.138
  153   2HG2  VAL  22          2HG2      VAL  22  -4.491  -0.857   1.167
  154   3HG2  VAL  22          3HG2      VAL  22  -3.948  -1.024  -0.503
  155    H    THR  23           H        THR  23  -7.088  -3.961   2.569
  156    HA   THR  23           HA       THR  23  -6.020  -2.276   4.740
  157    HB   THR  23           HB       THR  23  -7.278  -3.680   6.324
  158    HG1  THR  23           HG1      THR  23  -7.552  -5.259   4.185
  159   1HG2  THR  23          1HG2      THR  23  -8.305  -1.619   5.500
  160   2HG2  THR  23          2HG2      THR  23  -9.000  -2.501   4.139
  161   3HG2  THR  23          3HG2      THR  23  -9.527  -2.861   5.783
  162    HA   PRO  24           HA       PRO  24  -2.800  -5.058   5.871
  163   1HB   PRO  24          1HB       PRO  24  -4.328  -6.116   8.199
  164   2HB   PRO  24          2HB       PRO  24  -2.707  -5.414   8.141
  165   1HG   PRO  24          1HG       PRO  24  -4.756  -4.020   9.114
  166   2HG   PRO  24          2HG       PRO  24  -3.504  -3.237   8.131
  167   1HD   PRO  24          1HD       PRO  24  -6.284  -4.030   7.383
  168   2HD   PRO  24          2HD       PRO  24  -5.339  -2.614   6.879
  169    H    SER  25           H        SER  25  -5.988  -6.569   6.289
  170    HA   SER  25           HA       SER  25  -4.906  -9.194   5.686
  171   1HB   SER  25          1HB       SER  25  -6.602  -9.005   7.438
  172   2HB   SER  25          2HB       SER  25  -7.740  -8.312   6.283
  173    HG   SER  25           HG       SER  25  -6.763 -10.947   6.457
  174    H    GLN  26           H        GLN  26  -6.779  -6.684   4.133
  175    HA   GLN  26           HA       GLN  26  -7.684  -8.296   1.956
  176   1HB   GLN  26          1HB       GLN  26  -7.467  -5.289   2.201
  177   2HB   GLN  26          2HB       GLN  26  -8.325  -6.144   0.927
  178   1HG   GLN  26          1HG       GLN  26  -9.848  -7.091   2.584
  179   2HG   GLN  26          2HG       GLN  26  -8.987  -6.235   3.862
  180   2HE2  GLN  26          2HE2      GLN  26 -11.143  -5.938   1.155
  181   1HE2  GLN  26          1HE2      GLN  26 -11.666  -4.325   1.486
  182    H    CYS  27           H        CYS  27  -4.883  -6.276   2.558
  183    HA   CYS  27           HA       CYS  27  -3.956  -6.514  -0.184
  184   1HB   CYS  27          1HB       CYS  27  -3.594  -4.411   1.032
  185   2HB   CYS  27          2HB       CYS  27  -2.638  -5.267   2.237
  186    H    ALA  28           H        ALA  28  -2.846  -7.515   3.048
  187    HA   ALA  28           HA       ALA  28  -0.629  -9.007   2.209
  188   1HB   ALA  28          1HB       ALA  28  -0.999  -8.337   4.535
  189   2HB   ALA  28          2HB       ALA  28  -0.726 -10.075   4.397
  190   3HB   ALA  28          3HB       ALA  28  -2.359  -9.456   4.640
  191    H    ASN  29           H        ASN  29  -4.032  -9.802   2.381
  192    HA   ASN  29           HA       ASN  29  -3.912 -12.580   2.195
  193   1HB   ASN  29          1HB       ASN  29  -5.997 -11.366   2.614
  194   2HB   ASN  29          2HB       ASN  29  -5.948 -10.695   0.987
  195   2HD2  ASN  29          2HD2      ASN  29  -7.979 -12.337   2.270
  196   1HD2  ASN  29          1HD2      ASN  29  -8.162 -13.738   1.275
  197    H    LYS  30           H        LYS  30  -3.106 -10.171  -0.110
  198    HA   LYS  30           HA       LYS  30  -3.146 -12.117  -2.308
  199   1HB   LYS  30          1HB       LYS  30  -2.747  -9.120  -2.372
  200   2HB   LYS  30          2HB       LYS  30  -2.811 -10.169  -3.781
  201   1HG   LYS  30          1HG       LYS  30  -5.118 -10.756  -3.249
  202   2HG   LYS  30          2HG       LYS  30  -5.056  -9.715  -1.826
  203   1HD   LYS  30          1HD       LYS  30  -4.643  -7.776  -3.265
  204   2HD   LYS  30          2HD       LYS  30  -4.708  -8.819  -4.687
  205   1HE   LYS  30          1HE       LYS  30  -7.025  -9.397  -4.155
  206   2HE   LYS  30          2HE       LYS  30  -6.959  -8.358  -2.732
  207   1HZ   LYS  30          1HZ       LYS  30  -6.647  -7.457  -5.546
  208   2HZ   LYS  30          2HZ       LYS  30  -8.026  -7.246  -4.589
  209   3HZ   LYS  30          3HZ       LYS  30  -6.584  -6.460  -4.181
  210    H    GLY  31           H        GLY  31  -1.034 -10.212  -0.299
  211   1HA   GLY  31          1HA       GLY  31   1.278 -11.347  -1.751
  212   2HA   GLY  31          2HA       GLY  31   1.224 -11.180  -0.002
  213    H    CYS  32           H        CYS  32  -0.263  -8.547  -1.406
  214    HA   CYS  32           HA       CYS  32   2.006  -6.980  -2.105
  215   1HB   CYS  32          1HB       CYS  32  -0.796  -6.114  -1.362
  216   2HB   CYS  32          2HB       CYS  32   0.424  -5.086  -2.107
  217    H    CYS  33           H        CYS  33   1.762  -4.590  -0.861
  218    HA   CYS  33           HA       CYS  33   2.313  -5.207   1.968
  219   1HB   CYS  33          1HB       CYS  33   3.532  -3.066   0.214
  220   2HB   CYS  33          2HB       CYS  33   3.826  -3.232   1.941
  221    H    PHE  34           H        PHE  34   1.746  -3.583   3.526
  222    HA   PHE  34           HA       PHE  34  -0.248  -1.635   2.592
  223   1HB   PHE  34          1HB       PHE  34  -1.459  -3.547   3.514
  224   2HB   PHE  34          2HB       PHE  34  -0.520  -3.447   5.000
  225    HD1  PHE  34           HD1      PHE  34  -3.206  -1.944   3.029
  226    HD2  PHE  34           HD2      PHE  34  -0.951  -1.721   6.632
  227    HE1  PHE  34           HE1      PHE  34  -4.875  -0.402   3.973
  228    HE2  PHE  34           HE2      PHE  34  -2.617  -0.180   7.584
  229    HZ   PHE  34           HZ       PHE  34  -4.582   0.481   6.254
  230    H    ASP  35           H        ASP  35   0.375   0.340   3.126
  231    HA   ASP  35           HA       ASP  35   1.686   0.753   5.725
  232   1HB   ASP  35          1HB       ASP  35   3.409   0.843   3.986
  233   2HB   ASP  35          2HB       ASP  35   2.476   2.053   3.108
  234    H    ASP  36           H        ASP  36  -0.469   1.332   6.417
  235    HA   ASP  36           HA       ASP  36  -1.848   3.537   5.242
  236   1HB   ASP  36          1HB       ASP  36  -3.314   3.390   7.217
  237   2HB   ASP  36          2HB       ASP  36  -3.055   1.811   6.482
  238    H    THR  37           H        THR  37   1.017   3.707   6.459
  239    HA   THR  37           HA       THR  37   0.741   5.729   8.490
  240    HB   THR  37           HB       THR  37   3.193   5.913   8.364
  241    HG1  THR  37           HG1      THR  37   3.056   5.273   5.961
  242   1HG2  THR  37          1HG2      THR  37   2.201   3.059   8.391
  243   2HG2  THR  37          2HG2      THR  37   3.733   3.620   9.058
  244   3HG2  THR  37          3HG2      THR  37   2.212   4.166   9.764
  245    H    VAL  38           H        VAL  38   0.742   5.679   5.088
  246    HA   VAL  38           HA       VAL  38   1.022   8.607   5.038
  247    HB   VAL  38           HB       VAL  38   2.101   6.715   2.943
  248   1HG1  VAL  38          1HG1      VAL  38   2.174   9.727   3.095
  249   2HG1  VAL  38          2HG1      VAL  38   2.991   8.740   1.883
  250   3HG1  VAL  38          3HG1      VAL  38   1.229   8.762   1.961
  251   1HG2  VAL  38          1HG2      VAL  38   3.539   8.506   4.902
  252   2HG2  VAL  38          2HG2      VAL  38   3.489   6.744   4.942
  253   3HG2  VAL  38          3HG2      VAL  38   4.302   7.571   3.614
  254    H    ARG  39           H        ARG  39  -0.956   9.342   4.607
  255    HA   ARG  39           HA       ARG  39  -2.848   7.824   3.061
  256   1HB   ARG  39          1HB       ARG  39  -3.590   9.175   4.963
  257   2HB   ARG  39          2HB       ARG  39  -3.008  10.632   4.169
  258   1HG   ARG  39          1HG       ARG  39  -4.641  10.330   2.389
  259   2HG   ARG  39          2HG       ARG  39  -5.212   8.847   3.156
  260   1HD   ARG  39          1HD       ARG  39  -5.876  10.124   5.132
  261   2HD   ARG  39          2HD       ARG  39  -5.300  11.606   4.371
  262    HE   ARG  39           HE       ARG  39  -7.078  10.722   2.575
  263   1HH1  ARG  39          1HH1      ARG  39  -7.271  11.091   6.033
  264   2HH1  ARG  39          2HH1      ARG  39  -8.974  11.402   6.035
  265   1HH2  ARG  39          1HH2      ARG  39  -9.321  11.132   2.565
  266   2HH2  ARG  39          2HH2      ARG  39 -10.141  11.425   4.064
  267    H    GLY  40           H        GLY  40  -4.196   9.437   1.470
  268   1HA   GLY  40          1HA       GLY  40  -2.571  11.119  -0.177
  269   2HA   GLY  40          2HA       GLY  40  -4.206  10.582  -0.532
  270    H    VAL  41           H        VAL  41  -1.387   8.546   0.088
  271    HA   VAL  41           HA       VAL  41  -1.302   7.790  -2.741
  272    HB   VAL  41           HB       VAL  41   0.812   6.681  -2.224
  273   1HG1  VAL  41          1HG1      VAL  41   0.659   9.496  -1.150
  274   2HG1  VAL  41          2HG1      VAL  41   2.134   8.672  -1.656
  275   3HG1  VAL  41          3HG1      VAL  41   0.874   9.029  -2.837
  276   1HG2  VAL  41          1HG2      VAL  41   0.314   5.959   0.050
  277   2HG2  VAL  41          2HG2      VAL  41   1.820   6.876   0.002
  278   3HG2  VAL  41          3HG2      VAL  41   0.344   7.634   0.601
  279    HA   PRO  42           HA       PRO  42  -3.026   3.776  -2.199
  280   1HB   PRO  42          1HB       PRO  42  -1.292   2.118  -3.478
  281   2HB   PRO  42          2HB       PRO  42  -2.368   3.231  -4.330
  282   1HG   PRO  42          1HG       PRO  42   0.533   3.542  -3.657
  283   2HG   PRO  42          2HG       PRO  42  -0.313   3.932  -5.166
  284   1HD   PRO  42          1HD       PRO  42   0.338   5.818  -3.342
  285   2HD   PRO  42          2HD       PRO  42  -1.122   5.931  -4.345
  286    H    TRP  43           H        TRP  43  -3.130   2.727  -0.323
  287    HA   TRP  43           HA       TRP  43  -0.919   2.417   1.419
  288   1HB   TRP  43          1HB       TRP  43  -3.640   1.094   1.474
  289   2HB   TRP  43          2HB       TRP  43  -2.473   1.053   2.792
  290    HD1  TRP  43           HD1      TRP  43  -1.872   4.355   1.926
  291    HE1  TRP  43           HE1      TRP  43  -3.435   6.048   3.072
  292    HE3  TRP  43           HE3      TRP  43  -5.606   1.170   3.366
  293    HZ2  TRP  43           HZ2      TRP  43  -5.920   6.036   4.410
  294    HZ3  TRP  43           HZ3      TRP  43  -7.540   2.092   4.575
  295    HH2  TRP  43           HH2      TRP  43  -7.692   4.475   5.086
  296    H    CYS  44           H        CYS  44  -2.668   0.138  -0.667
  297    HA   CYS  44           HA       CYS  44  -0.761  -1.968  -0.018
  298   1HB   CYS  44          1HB       CYS  44  -3.174  -2.501  -0.150
  299   2HB   CYS  44          2HB       CYS  44  -3.171  -2.031  -1.846
  300    H    PHE  45           H        PHE  45   1.068  -2.118  -1.123
  301    HA   PHE  45           HA       PHE  45   1.029  -1.635  -4.012
  302   1HB   PHE  45          1HB       PHE  45   3.148  -0.373  -3.870
  303   2HB   PHE  45          2HB       PHE  45   1.833   0.446  -3.034
  304    HD1  PHE  45           HD1      PHE  45   1.791   0.567  -0.600
  305    HD2  PHE  45           HD2      PHE  45   5.031  -1.251  -2.676
  306    HE1  PHE  45           HE1      PHE  45   3.158   0.681   1.442
  307    HE2  PHE  45           HE2      PHE  45   6.404  -1.141  -0.637
  308    HZ   PHE  45           HZ       PHE  45   5.468  -0.174   1.425
  309    H    TYR  46           H        TYR  46   3.151  -2.377  -5.023
  310    HA   TYR  46           HA       TYR  46   3.567  -5.089  -4.304
  311   1HB   TYR  46          1HB       TYR  46   5.142  -3.339  -6.206
  312   2HB   TYR  46          2HB       TYR  46   5.242  -5.094  -6.112
  313    HD1  TYR  46           HD1      TYR  46   3.086  -6.418  -6.576
  314    HD2  TYR  46           HD2      TYR  46   3.584  -2.322  -7.612
  315    HE1  TYR  46           HE1      TYR  46   1.251  -6.613  -8.202
  316    HE2  TYR  46           HE2      TYR  46   1.749  -2.504  -9.240
  317    HH   TYR  46           HH       TYR  46  -0.377  -5.135  -9.328
  318    HA   PRO  47           HA       PRO  47   6.791  -4.523  -1.312
  319   1HB   PRO  47          1HB       PRO  47   7.602  -7.091  -1.127
  320   2HB   PRO  47          2HB       PRO  47   6.068  -6.532  -0.447
  321   1HG   PRO  47          1HG       PRO  47   6.587  -7.967  -3.024
  322   2HG   PRO  47          2HG       PRO  47   5.301  -8.236  -1.833
  323   1HD   PRO  47          1HD       PRO  47   4.925  -6.834  -4.135
  324   2HD   PRO  47          2HD       PRO  47   4.017  -6.508  -2.645
  325    H    ASN  48           H        ASN  48   9.062  -6.175  -1.243
  326    HA   ASN  48           HA       ASN  48  10.422  -5.704  -3.793
  327   1HB   ASN  48          1HB       ASN  48  11.460  -4.754  -1.114
  328   2HB   ASN  48          2HB       ASN  48  12.347  -4.686  -2.634
  329   2HD2  ASN  48          2HD2      ASN  48  11.518  -2.548  -0.821
  330   1HD2  ASN  48          1HD2      ASN  48  10.579  -1.456  -1.775
  331    H    THR  49           H        THR  49  10.590  -7.892  -4.174
  332    HA   THR  49           HA       THR  49  11.589  -9.707  -2.186
  333    HB   THR  49           HB       THR  49  11.578 -11.384  -3.994
  334    HG1  THR  49           HG1      THR  49  12.010 -10.399  -5.867
  335   1HG2  THR  49          1HG2      THR  49   9.088  -9.674  -3.902
  336   2HG2  THR  49          2HG2      THR  49   9.165 -11.351  -4.445
  337   3HG2  THR  49          3HG2      THR  49   9.512 -10.952  -2.763
  338    H    ILE  50           H        ILE  50  13.650  -9.907  -1.642
  339    HA   ILE  50           HA       ILE  50  15.705  -9.499  -3.712
  340    HB   ILE  50           HB       ILE  50  15.881  -8.620  -0.828
  341   1HG1  ILE  50          1HG1      ILE  50  15.797  -7.025  -3.400
  342   2HG1  ILE  50          2HG1      ILE  50  14.505  -7.129  -2.208
  343   1HG2  ILE  50          1HG2      ILE  50  18.012  -9.468  -1.628
  344   2HG2  ILE  50          2HG2      ILE  50  17.909  -8.432  -3.051
  345   3HG2  ILE  50          3HG2      ILE  50  18.075  -7.715  -1.449
  346   1HD1  ILE  50          1HD1      ILE  50  17.231  -5.939  -1.755
  347   2HD1  ILE  50          2HD1      ILE  50  15.731  -5.047  -2.004
  348   3HD1  ILE  50          3HD1      ILE  50  15.937  -6.040  -0.562
  349    H    ASP  51           H        ASP  51  17.534 -10.811  -3.587
  350    HA   ASP  51           HA       ASP  51  17.886 -12.686  -1.440
  351   1HB   ASP  51          1HB       ASP  51  17.611 -14.714  -2.818
  352   2HB   ASP  51          2HB       ASP  51  16.102 -13.822  -2.657
  353    H    VAL  52           H        VAL  52  19.849 -13.884  -1.607
  354    HA   VAL  52           HA       VAL  52  21.633 -13.102  -3.804
  355    HB   VAL  52           HB       VAL  52  22.397 -13.013  -0.881
  356   1HG1  VAL  52          1HG1      VAL  52  24.004 -12.395  -3.358
  357   2HG1  VAL  52          2HG1      VAL  52  24.539 -12.134  -1.698
  358   3HG1  VAL  52          3HG1      VAL  52  24.235 -13.771  -2.279
  359   1HG2  VAL  52          1HG2      VAL  52  22.050 -10.784  -2.884
  360   2HG2  VAL  52          2HG2      VAL  52  21.002 -11.120  -1.505
  361   3HG2  VAL  52          3HG2      VAL  52  22.667 -10.601  -1.242
  362    HA   PRO  53           HA       PRO  53  21.892 -17.607  -2.154
  363   1HB   PRO  53          1HB       PRO  53  20.180 -18.866  -3.836
  364   2HB   PRO  53          2HB       PRO  53  19.674 -18.206  -2.277
  365   1HG   PRO  53          1HG       PRO  53  19.378 -17.035  -5.015
  366   2HG   PRO  53          2HG       PRO  53  18.203 -17.087  -3.687
  367   1HD   PRO  53          1HD       PRO  53  19.672 -14.879  -4.259
  368   2HD   PRO  53          2HD       PRO  53  19.150 -15.284  -2.611
  369    HA   PRO  54           HA       PRO  54  24.694 -18.534  -5.439
  370   1HB   PRO  54          1HB       PRO  54  24.975 -21.214  -5.139
  371   2HB   PRO  54          2HB       PRO  54  25.666 -20.047  -4.004
  372   1HG   PRO  54          1HG       PRO  54  23.147 -21.648  -3.777
  373   2HG   PRO  54          2HG       PRO  54  24.377 -21.317  -2.544
  374   1HD   PRO  54          1HD       PRO  54  22.029 -19.966  -2.674
  375   2HD   PRO  54          2HD       PRO  54  23.529 -19.228  -2.078
  376    H    GLU  55           H        GLU  55  22.685 -17.984  -6.853
  377    HA   GLU  55           HA       GLU  55  22.153 -20.327  -8.547
  378   1HB   GLU  55          1HB       GLU  55  19.864 -19.509  -8.940
  379   2HB   GLU  55          2HB       GLU  55  20.137 -19.909  -7.249
  380   1HG   GLU  55          1HG       GLU  55  20.441 -17.539  -6.738
  381   2HG   GLU  55          2HG       GLU  55  20.163 -17.142  -8.434
  382    H    GLU  56           H        GLU  56  22.375 -16.821  -8.277
  383    HA   GLU  56           HA       GLU  56  22.519 -16.572 -11.189
  384   1HB   GLU  56          1HB       GLU  56  21.046 -15.013 -10.011
  385   2HB   GLU  56          2HB       GLU  56  22.396 -14.458  -9.030
  386   1HG   GLU  56          1HG       GLU  56  23.497 -13.596 -11.033
  387   2HG   GLU  56          2HG       GLU  56  22.139 -14.147 -12.013
  388    H    GLU  57           H        GLU  57  24.238 -14.824  -8.616
  389    HA   GLU  57           HA       GLU  57  26.687 -15.000 -10.196
  390   1HB   GLU  57          1HB       GLU  57  26.059 -13.390  -7.715
  391   2HB   GLU  57          2HB       GLU  57  27.559 -13.303  -8.629
  392   1HG   GLU  57          1HG       GLU  57  24.821 -12.572  -9.646
  393   2HG   GLU  57          2HG       GLU  57  26.089 -11.446  -9.161
  394    H    CYS  58           H        CYS  58  28.546 -15.975  -9.508
  395    HA   CYS  58           HA       CYS  58  28.335 -17.570  -7.039
  396   1HB   CYS  58          1HB       CYS  58  28.324 -18.974  -9.042
  397   2HB   CYS  58          2HB       CYS  58  29.815 -18.221  -9.597
  398    H    GLU  59           H        GLU  59  30.692 -16.041  -9.228
  399    HA   GLU  59           HA       GLU  59  32.704 -15.991  -7.147
  400   1HB   GLU  59          1HB       GLU  59  32.733 -14.838  -9.943
  401   2HB   GLU  59          2HB       GLU  59  34.117 -14.915  -8.860
  402   1HG   GLU  59          1HG       GLU  59  34.006 -17.352  -8.884
  403   2HG   GLU  59          2HG       GLU  59  32.614 -17.278  -9.964
  404    H    PHE  60           H        PHE  60  32.105 -13.296  -9.318
  405    HA   PHE  60           HA       PHE  60  32.099 -11.499  -7.018
  406   1HB   PHE  60          1HB       PHE  60  33.643 -10.989  -8.848
  407   2HB   PHE  60          2HB       PHE  60  32.298 -10.913  -9.980
  408    HD1  PHE  60           HD1      PHE  60  34.066  -9.204  -7.289
  409    HD2  PHE  60           HD2      PHE  60  30.769  -9.031  -9.974
  410    HE1  PHE  60           HE1      PHE  60  33.800  -6.807  -6.802
  411    HE2  PHE  60           HE2      PHE  60  30.498  -6.633  -9.493
  412    HZ   PHE  60           HZ       PHE  60  32.015  -5.519  -7.906
  413    H1   GLU   1           H1       GLU   1  15.608 -24.340 -13.550
  414    H2   GLU   1           H2       GLU   1  16.622 -24.601 -12.221
  415    H3   GLU   1           H3       GLU   1  16.392 -25.828 -13.362
  416    HA   GLU   1           HA       GLU   1  15.138 -26.297 -11.379
  417   1HB   GLU   1          1HB       GLU   1  14.854 -23.975 -10.639
  418   2HB   GLU   1          2HB       GLU   1  13.779 -23.665 -11.995
  419   1HG   GLU   1          1HG       GLU   1  12.541 -23.996  -9.929
  420   2HG   GLU   1          2HG       GLU   1  12.170 -25.252 -11.112
  421    H    ALA   2           H        ALA   2  15.186 -27.242 -13.918
  422    HA   ALA   2           HA       ALA   2  12.370 -27.300 -14.771
  423   1HB   ALA   2          1HB       ALA   2  14.835 -28.080 -16.324
  424   2HB   ALA   2          2HB       ALA   2  13.180 -28.079 -16.932
  425   3HB   ALA   2          3HB       ALA   2  13.955 -26.560 -16.483
  426    H    GLN   3           H        GLN   3  11.424 -29.327 -15.352
  427    HA   GLN   3           HA       GLN   3  12.787 -31.773 -14.639
  428   1HB   GLN   3          1HB       GLN   3  10.358 -30.866 -13.083
  429   2HB   GLN   3          2HB       GLN   3  11.094 -32.458 -12.976
  430   1HG   GLN   3          1HG       GLN   3  12.400 -29.852 -12.228
  431   2HG   GLN   3          2HG       GLN   3  11.750 -31.051 -11.109
  432   2HE2  GLN   3          2HE2      GLN   3  14.461 -29.998 -11.370
  433   1HE2  GLN   3          1HE2      GLN   3  15.480 -31.368 -11.637
  434    H    THR   4           H        THR   4  11.618 -33.676 -15.262
  435    HA   THR   4           HA       THR   4   9.159 -33.303 -16.777
  436    HB   THR   4           HB       THR   4  10.035 -34.447 -18.772
  437    HG1  THR   4           HG1      THR   4  12.677 -33.988 -17.952
  438   1HG2  THR   4          1HG2      THR   4  11.593 -31.970 -18.019
  439   2HG2  THR   4          2HG2      THR   4  11.373 -32.588 -19.656
  440   3HG2  THR   4          3HG2      THR   4   9.984 -32.004 -18.740
  441    H    GLU   5           H        GLU   5   7.879 -35.095 -16.814
  442    HA   GLU   5           HA       GLU   5   8.862 -37.413 -15.310
  443   1HB   GLU   5          1HB       GLU   5   6.033 -36.574 -15.967
  444   2HB   GLU   5          2HB       GLU   5   6.479 -37.974 -15.001
  445   1HG   GLU   5          1HG       GLU   5   5.791 -36.124 -13.594
  446   2HG   GLU   5          2HG       GLU   5   7.489 -36.517 -13.334
  447    H    THR   6           H        THR   6   9.135 -39.339 -16.245
  448    HA   THR   6           HA       THR   6   7.834 -39.885 -18.815
  449    HB   THR   6           HB       THR   6  10.789 -40.287 -18.309
  450    HG1  THR   6           HG1      THR   6  10.281 -38.828 -20.470
  451   1HG2  THR   6          1HG2      THR   6   9.805 -42.081 -19.666
  452   2HG2  THR   6          2HG2      THR   6   9.131 -40.877 -20.764
  453   3HG2  THR   6          3HG2      THR   6  10.879 -41.062 -20.624
  454    H    CYS   7           H        CYS   7   8.257 -42.250 -19.460
  455    HA   CYS   7           HA       CYS   7   7.954 -43.902 -17.043
  456   1HB   CYS   7          1HB       CYS   7   6.903 -44.367 -19.840
  457   2HB   CYS   7          2HB       CYS   7   6.697 -45.474 -18.488
  458    H    THR   8           H        THR   8  10.254 -43.113 -19.157
  459    HA   THR   8           HA       THR   8  11.219 -45.669 -19.997
  460    HB   THR   8           HB       THR   8  11.817 -43.669 -21.254
  461    HG1  THR   8           HG1      THR   8  13.405 -45.576 -20.675
  462   1HG2  THR   8          1HG2      THR   8  11.898 -42.067 -19.409
  463   2HG2  THR   8          2HG2      THR   8  13.349 -42.850 -18.783
  464   3HG2  THR   8          3HG2      THR   8  13.394 -42.026 -20.341
  465    H    VAL   9           H        VAL   9  11.426 -46.988 -18.198
  466    HA   VAL   9           HA       VAL   9  13.621 -46.267 -16.372
  467    HB   VAL   9           HB       VAL   9  11.106 -47.753 -15.599
  468   1HG1  VAL   9          1HG1      VAL   9  13.491 -46.912 -13.955
  469   2HG1  VAL   9          2HG1      VAL   9  12.010 -47.625 -13.317
  470   3HG1  VAL   9          3HG1      VAL   9  13.049 -48.563 -14.390
  471   1HG2  VAL   9          1HG2      VAL   9  10.686 -45.375 -15.917
  472   2HG2  VAL   9          2HG2      VAL   9  10.621 -45.796 -14.206
  473   3HG2  VAL   9          3HG2      VAL   9  12.043 -44.981 -14.860
  474    H    ALA  10           H        ALA  10  14.771 -48.078 -15.453
  475    HA   ALA  10           HA       ALA  10  15.220 -50.166 -17.358
  476   1HB   ALA  10          1HB       ALA  10  16.927 -50.946 -15.804
  477   2HB   ALA  10          2HB       ALA  10  17.049 -49.203 -16.044
  478   3HB   ALA  10          3HB       ALA  10  16.323 -49.842 -14.568
  479    HA   PRO  11           HA       PRO  11  11.809 -52.783 -16.111
  480   1HB   PRO  11          1HB       PRO  11  13.811 -54.747 -17.169
  481   2HB   PRO  11          2HB       PRO  11  12.070 -54.655 -17.460
  482   1HG   PRO  11          1HG       PRO  11  13.822 -53.755 -19.268
  483   2HG   PRO  11          2HG       PRO  11  12.278 -52.934 -18.987
  484   1HD   PRO  11          1HD       PRO  11  15.015 -52.090 -18.261
  485   2HD   PRO  11          2HD       PRO  11  13.560 -51.108 -18.513
  486    H    ARG  12           H        ARG  12  15.183 -53.250 -15.254
  487    HA   ARG  12           HA       ARG  12  14.498 -55.061 -13.082
  488   1HB   ARG  12          1HB       ARG  12  16.928 -55.172 -12.703
  489   2HB   ARG  12          2HB       ARG  12  16.505 -55.551 -14.366
  490   1HG   ARG  12          1HG       ARG  12  17.145 -53.289 -15.042
  491   2HG   ARG  12          2HG       ARG  12  17.579 -52.918 -13.373
  492   1HD   ARG  12          1HD       ARG  12  19.552 -53.486 -14.691
  493   2HD   ARG  12          2HD       ARG  12  19.275 -54.671 -13.416
  494    HE   ARG  12           HE       ARG  12  18.037 -55.545 -15.785
  495   1HH1  ARG  12          1HH1      ARG  12  21.201 -55.080 -14.410
  496   2HH1  ARG  12          2HH1      ARG  12  21.938 -56.332 -15.353
  497   1HH2  ARG  12          1HH2      ARG  12  18.994 -57.199 -17.032
  498   2HH2  ARG  12          2HH2      ARG  12  20.682 -57.538 -16.845
  499    H    GLU  13           H        GLU  13  15.356 -51.728 -13.619
  500    HA   GLU  13           HA       GLU  13  15.498 -51.263 -10.723
  501   1HB   GLU  13          1HB       GLU  13  16.326 -49.478 -13.019
  502   2HB   GLU  13          2HB       GLU  13  16.496 -49.085 -11.314
  503   1HG   GLU  13          1HG       GLU  13  18.022 -50.966 -11.027
  504   2HG   GLU  13          2HG       GLU  13  17.849 -51.367 -12.735
  505    H    ARG  14           H        ARG  14  13.143 -51.449 -12.829
  506    HA   ARG  14           HA       ARG  14  11.844 -48.925 -12.672
  507   1HB   ARG  14          1HB       ARG  14  10.710 -51.669 -13.241
  508   2HB   ARG  14          2HB       ARG  14   9.846 -50.156 -13.469
  509   1HG   ARG  14          1HG       ARG  14  11.512 -49.466 -15.131
  510   2HG   ARG  14          2HG       ARG  14  12.343 -51.008 -14.918
  511   1HD   ARG  14          1HD       ARG  14  10.338 -52.192 -15.663
  512   2HD   ARG  14          2HD       ARG  14   9.504 -50.654 -15.870
  513    HE   ARG  14           HE       ARG  14  11.833 -50.552 -17.389
  514   1HH1  ARG  14          1HH1      ARG  14   8.857 -52.358 -17.293
  515   2HH1  ARG  14          2HH1      ARG  14   8.828 -52.652 -18.999
  516   1HH2  ARG  14          1HH2      ARG  14  11.805 -50.932 -19.638
  517   2HH2  ARG  14          2HH2      ARG  14  10.504 -51.840 -20.333
  518    H    GLN  15           H        GLN  15  10.153 -48.246 -11.367
  519    HA   GLN  15           HA       GLN  15  10.069 -49.502  -8.744
  520   1HB   GLN  15          1HB       GLN  15   8.862 -46.915  -9.739
  521   2HB   GLN  15          2HB       GLN  15   8.830 -47.469  -8.071
  522   1HG   GLN  15          1HG       GLN  15  10.564 -45.813  -8.397
  523   2HG   GLN  15          2HG       GLN  15  11.264 -47.377  -7.984
  524   2HE2  GLN  15          2HE2      GLN  15  13.246 -46.860  -8.886
  525   1HE2  GLN  15          1HE2      GLN  15  13.491 -46.763 -10.593
  526    H    ASN  16           H        ASN  16   8.782 -51.282  -8.860
  527    HA   ASN  16           HA       ASN  16   6.527 -51.713 -10.352
  528   1HB   ASN  16          1HB       ASN  16   7.596 -53.462  -9.016
  529   2HB   ASN  16          2HB       ASN  16   7.055 -52.680  -7.533
  530   2HD2  ASN  16          2HD2      ASN  16   6.519 -55.362  -8.596
  531   1HD2  ASN  16          1HD2      ASN  16   4.799 -55.497  -8.675
  532    H    CYS  17           H        CYS  17   4.291 -51.519 -10.005
  533    HA   CYS  17           HA       CYS  17   3.457 -49.685  -7.871
  534   1HB   CYS  17          1HB       CYS  17   3.720 -48.300  -9.845
  535   2HB   CYS  17          2HB       CYS  17   2.761 -49.424 -10.802
  536    H    GLY  18           H        GLY  18   3.129 -52.606  -9.223
  537   1HA   GLY  18          1HA       GLY  18   0.435 -53.118  -9.574
  538   2HA   GLY  18          2HA       GLY  18   0.712 -53.188  -7.839
  539    H    PHE  19           H        PHE  19   0.166 -55.185 -10.160
  540    HA   PHE  19           HA       PHE  19   2.137 -57.159  -9.237
  541   1HB   PHE  19          1HB       PHE  19   0.494 -58.861 -10.009
  542   2HB   PHE  19          2HB       PHE  19  -0.133 -57.814  -8.742
  543    HD1  PHE  19           HD1      PHE  19  -0.521 -58.961 -12.136
  544    HD2  PHE  19           HD2      PHE  19  -1.732 -56.002  -9.328
  545    HE1  PHE  19           HE1      PHE  19  -2.459 -58.418 -13.550
  546    HE2  PHE  19           HE2      PHE  19  -3.673 -55.453 -10.737
  547    HZ   PHE  19           HZ       PHE  19  -4.039 -56.663 -12.851
  548    HA   PRO  20           HA       PRO  20   3.955 -57.729 -13.173
  549   1HB   PRO  20          1HB       PRO  20   3.952 -60.425 -13.561
  550   2HB   PRO  20          2HB       PRO  20   5.015 -59.613 -12.405
  551   1HG   PRO  20          1HG       PRO  20   2.428 -61.039 -11.921
  552   2HG   PRO  20          2HG       PRO  20   3.930 -61.098 -10.982
  553   1HD   PRO  20          1HD       PRO  20   1.814 -59.601 -10.223
  554   2HD   PRO  20          2HD       PRO  20   3.489 -59.100  -9.913
  555    H    GLY  21           H        GLY  21   0.813 -59.204 -12.742
  556   1HA   GLY  21          1HA       GLY  21  -0.636 -60.076 -14.397
  557   2HA   GLY  21          2HA       GLY  21   0.448 -59.461 -15.636
  558    H    VAL  22           H        VAL  22   0.268 -56.960 -13.624
  559    HA   VAL  22           HA       VAL  22  -2.241 -55.852 -13.740
  560    HB   VAL  22           HB       VAL  22  -1.176 -53.642 -13.651
  561   1HG1  VAL  22          1HG1      VAL  22   0.171 -55.758 -11.978
  562   2HG1  VAL  22          2HG1      VAL  22   0.203 -54.028 -11.634
  563   3HG1  VAL  22          3HG1      VAL  22  -1.325 -54.907 -11.602
  564   1HG2  VAL  22          1HG2      VAL  22   1.379 -55.149 -14.203
  565   2HG2  VAL  22          2HG2      VAL  22   0.591 -53.999 -15.283
  566   3HG2  VAL  22          3HG2      VAL  22   1.269 -53.448 -13.751
  567    H    THR  23           H        THR  23  -3.478 -54.831 -15.223
  568    HA   THR  23           HA       THR  23  -2.448 -54.748 -17.981
  569    HB   THR  23           HB       THR  23  -4.789 -54.891 -18.724
  570    HG1  THR  23           HG1      THR  23  -5.375 -54.122 -16.330
  571   1HG2  THR  23          1HG2      THR  23  -4.012 -57.065 -16.775
  572   2HG2  THR  23          2HG2      THR  23  -5.208 -57.219 -18.062
  573   3HG2  THR  23          3HG2      THR  23  -3.511 -56.957 -18.462
  574    HA   PRO  24           HA       PRO  24  -3.205 -50.486 -18.797
  575   1HB   PRO  24          1HB       PRO  24  -5.876 -51.050 -20.008
  576   2HB   PRO  24          2HB       PRO  24  -4.526 -50.107 -20.651
  577   1HG   PRO  24          1HG       PRO  24  -5.018 -52.556 -21.566
  578   2HG   PRO  24          2HG       PRO  24  -3.353 -51.993 -21.322
  579   1HD   PRO  24          1HD       PRO  24  -4.975 -53.884 -19.685
  580   2HD   PRO  24          2HD       PRO  24  -3.228 -53.877 -20.006
  581    H    SER  25           H        SER  25  -6.358 -51.944 -17.964
  582    HA   SER  25           HA       SER  25  -7.255 -49.600 -16.593
  583   1HB   SER  25          1HB       SER  25  -8.367 -52.416 -16.589
  584   2HB   SER  25          2HB       SER  25  -9.188 -50.996 -15.942
  585    HG   SER  25           HG       SER  25  -8.505 -50.336 -18.362
  586    H    GLN  26           H        GLN  26  -5.559 -52.494 -15.700
  587    HA   GLN  26           HA       GLN  26  -6.077 -52.322 -12.896
  588   1HB   GLN  26          1HB       GLN  26  -3.893 -53.783 -14.392
  589   2HB   GLN  26          2HB       GLN  26  -4.280 -54.004 -12.691
  590   1HG   GLN  26          1HG       GLN  26  -6.107 -54.595 -15.009
  591   2HG   GLN  26          2HG       GLN  26  -5.215 -55.782 -14.059
  592   2HE2  GLN  26          2HE2      GLN  26  -7.078 -56.837 -13.408
  593   1HE2  GLN  26          1HE2      GLN  26  -8.174 -56.159 -12.256
  594    H    CYS  27           H        CYS  27  -3.650 -51.038 -15.058
  595    HA   CYS  27           HA       CYS  27  -1.922 -50.176 -12.906
  596   1HB   CYS  27          1HB       CYS  27  -0.993 -50.880 -15.085
  597   2HB   CYS  27          2HB       CYS  27  -1.816 -49.532 -15.862
  598    H    ALA  28           H        ALA  28  -3.850 -48.539 -15.420
  599    HA   ALA  28           HA       ALA  28  -3.502 -45.926 -14.559
  600   1HB   ALA  28          1HB       ALA  28  -5.967 -47.119 -15.825
  601   2HB   ALA  28          2HB       ALA  28  -4.549 -46.524 -16.689
  602   3HB   ALA  28          3HB       ALA  28  -5.555 -45.405 -15.768
  603    H    ASN  29           H        ASN  29  -5.800 -48.371 -13.464
  604    HA   ASN  29           HA       ASN  29  -7.502 -46.866 -11.913
  605   1HB   ASN  29          1HB       ASN  29  -7.794 -49.273 -12.261
  606   2HB   ASN  29          2HB       ASN  29  -6.374 -49.601 -11.271
  607   2HD2  ASN  29          2HD2      ASN  29  -7.535 -50.833  -9.813
  608   1HD2  ASN  29          1HD2      ASN  29  -8.641 -50.135  -8.684
  609    H    LYS  30           H        LYS  30  -4.198 -47.805 -11.255
  610    HA   LYS  30           HA       LYS  30  -4.329 -46.587  -8.594
  611   1HB   LYS  30          1HB       LYS  30  -3.271 -48.788  -8.737
  612   2HB   LYS  30          2HB       LYS  30  -2.129 -48.177  -9.926
  613   1HG   LYS  30          1HG       LYS  30  -1.193 -46.660  -8.262
  614   2HG   LYS  30          2HG       LYS  30  -2.349 -47.254  -7.068
  615   1HD   LYS  30          1HD       LYS  30  -1.395 -49.499  -7.260
  616   2HD   LYS  30          2HD       LYS  30  -0.243 -48.909  -8.460
  617   1HE   LYS  30          1HE       LYS  30   0.791 -49.071  -6.257
  618   2HE   LYS  30          2HE       LYS  30   0.718 -47.396  -6.802
  619   1HZ   LYS  30          1HZ       LYS  30  -1.233 -47.069  -5.410
  620   2HZ   LYS  30          2HZ       LYS  30  -1.159 -48.675  -4.887
  621   3HZ   LYS  30          3HZ       LYS  30   0.081 -47.597  -4.484
  622    H    GLY  31           H        GLY  31  -3.099 -46.079 -11.792
  623   1HA   GLY  31          1HA       GLY  31  -2.256 -43.399 -11.003
  624   2HA   GLY  31          2HA       GLY  31  -2.504 -43.972 -12.647
  625    H    CYS  32           H        CYS  32  -0.897 -45.779 -13.282
  626    HA   CYS  32           HA       CYS  32   1.750 -44.678 -12.823
  627   1HB   CYS  32          1HB       CYS  32   1.093 -47.572 -12.239
  628   2HB   CYS  32          2HB       CYS  32   2.725 -46.927 -12.365
  629    H    CYS  33           H        CYS  33   3.354 -45.536 -14.347
  630    HA   CYS  33           HA       CYS  33   2.384 -45.633 -16.976
  631   1HB   CYS  33          1HB       CYS  33   5.072 -46.523 -15.908
  632   2HB   CYS  33          2HB       CYS  33   4.697 -46.234 -17.604
  633    H    PHE  34           H        PHE  34   2.478 -47.357 -18.525
  634    HA   PHE  34           HA       PHE  34   2.445 -50.059 -17.371
  635   1HB   PHE  34          1HB       PHE  34   0.117 -49.325 -17.644
  636   2HB   PHE  34          2HB       PHE  34   0.423 -48.969 -19.341
  637    HD1  PHE  34           HD1      PHE  34  -0.234 -51.556 -16.884
  638    HD2  PHE  34           HD2      PHE  34   0.792 -50.790 -20.942
  639    HE1  PHE  34           HE1      PHE  34  -0.841 -53.867 -17.469
  640    HE2  PHE  34           HE2      PHE  34   0.185 -53.101 -21.534
  641    HZ   PHE  34           HZ       PHE  34  -0.631 -54.642 -19.796
  642    H    ASP  35           H        ASP  35   3.935 -51.251 -18.340
  643    HA   ASP  35           HA       ASP  35   4.310 -50.991 -21.236
  644   1HB   ASP  35          1HB       ASP  35   6.074 -49.644 -20.207
  645   2HB   ASP  35          2HB       ASP  35   6.552 -51.010 -19.203
  646    H    ASP  36           H        ASP  36   3.117 -52.958 -21.343
  647    HA   ASP  36           HA       ASP  36   4.182 -55.319 -20.054
  648   1HB   ASP  36          1HB       ASP  36   2.335 -56.494 -21.191
  649   2HB   ASP  36          2HB       ASP  36   1.763 -55.086 -20.302
  650    H    THR  37           H        THR  37   6.263 -54.560 -21.369
  651    HA   THR  37           HA       THR  37   6.282 -56.036 -23.920
  652    HB   THR  37           HB       THR  37   8.258 -54.707 -24.541
  653    HG1  THR  37           HG1      THR  37   9.229 -53.497 -23.099
  654   1HG2  THR  37          1HG2      THR  37   5.897 -53.026 -23.692
  655   2HG2  THR  37          2HG2      THR  37   7.121 -52.558 -24.872
  656   3HG2  THR  37          3HG2      THR  37   6.044 -53.914 -25.207
  657    H    VAL  38           H        VAL  38   7.670 -55.759 -20.761
  658    HA   VAL  38           HA       VAL  38   9.491 -57.990 -21.390
  659    HB   VAL  38           HB       VAL  38   9.949 -55.797 -19.362
  660   1HG1  VAL  38          1HG1      VAL  38  11.684 -58.135 -20.151
  661   2HG1  VAL  38          2HG1      VAL  38  12.151 -56.832 -19.058
  662   3HG1  VAL  38          3HG1      VAL  38  10.845 -57.931 -18.614
  663   1HG2  VAL  38          1HG2      VAL  38  11.326 -56.365 -21.986
  664   2HG2  VAL  38          2HG2      VAL  38  10.258 -55.004 -21.641
  665   3HG2  VAL  38          3HG2      VAL  38  11.812 -55.137 -20.818
  666    H    ARG  39           H        ARG  39   8.911 -59.807 -20.422
  667    HA   ARG  39           HA       ARG  39   6.982 -59.850 -18.307
  668   1HB   ARG  39          1HB       ARG  39   7.022 -61.604 -20.008
  669   2HB   ARG  39          2HB       ARG  39   8.641 -62.075 -19.509
  670   1HG   ARG  39          1HG       ARG  39   7.771 -62.722 -17.314
  671   2HG   ARG  39          2HG       ARG  39   6.147 -62.265 -17.831
  672   1HD   ARG  39          1HD       ARG  39   7.870 -64.406 -19.075
  673   2HD   ARG  39          2HD       ARG  39   6.491 -64.676 -18.010
  674    HE   ARG  39           HE       ARG  39   5.675 -63.125 -20.207
  675   1HH1  ARG  39          1HH1      ARG  39   6.697 -66.361 -19.427
  676   2HH1  ARG  39          2HH1      ARG  39   5.796 -67.095 -20.712
  677   1HH2  ARG  39          1HH2      ARG  39   4.485 -64.080 -21.905
  678   2HH2  ARG  39          2HH2      ARG  39   4.540 -65.797 -22.123
  679    H    GLY  40           H        GLY  40   7.594 -61.633 -16.494
  680   1HA   GLY  40          1HA       GLY  40  10.245 -61.493 -15.458
  681   2HA   GLY  40          2HA       GLY  40   8.833 -62.106 -14.612
  682    H    VAL  41           H        VAL  41   9.216 -58.870 -15.960
  683    HA   VAL  41           HA       VAL  41   9.473 -57.772 -13.254
  684    HB   VAL  41           HB       VAL  41  10.050 -55.655 -14.329
  685   1HG1  VAL  41          1HG1      VAL  41  11.836 -57.241 -13.861
  686   2HG1  VAL  41          2HG1      VAL  41  11.601 -57.992 -15.440
  687   3HG1  VAL  41          3HG1      VAL  41  12.181 -56.330 -15.331
  688   1HG2  VAL  41          1HG2      VAL  41   9.676 -57.152 -16.922
  689   2HG2  VAL  41          2HG2      VAL  41   8.661 -55.841 -16.319
  690   3HG2  VAL  41          3HG2      VAL  41  10.339 -55.525 -16.763
  691    HA   PRO  42           HA       PRO  42   5.402 -56.117 -13.071
  692   1HB   PRO  42          1HB       PRO  42   5.780 -53.566 -12.200
  693   2HB   PRO  42          2HB       PRO  42   5.978 -54.982 -11.161
  694   1HG   PRO  42          1HG       PRO  42   8.060 -53.368 -12.584
  695   2HG   PRO  42          2HG       PRO  42   8.081 -54.016 -10.933
  696   1HD   PRO  42          1HD       PRO  42   9.396 -55.210 -12.971
  697   2HD   PRO  42          2HD       PRO  42   8.678 -56.132 -11.635
  698    H    TRP  43           H        TRP  43   4.018 -55.442 -14.581
  699    HA   TRP  43           HA       TRP  43   4.976 -54.028 -16.893
  700   1HB   TRP  43          1HB       TRP  43   2.172 -54.901 -16.160
  701   2HB   TRP  43          2HB       TRP  43   2.676 -54.301 -17.737
  702    HD1  TRP  43           HD1      TRP  43   5.521 -56.198 -17.208
  703    HE1  TRP  43           HE1      TRP  43   5.311 -58.652 -17.954
  704    HE3  TRP  43           HE3      TRP  43   0.425 -56.544 -17.439
  705    HZ2  TRP  43           HZ2      TRP  43   3.257 -60.492 -18.562
  706    HZ3  TRP  43           HZ3      TRP  43  -0.582 -58.685 -18.112
  707    HH2  TRP  43           HH2      TRP  43   0.806 -60.617 -18.662
  708    H    CYS  44           H        CYS  44   3.536 -53.163 -13.921
  709    HA   CYS  44           HA       CYS  44   3.003 -50.454 -14.950
  710   1HB   CYS  44          1HB       CYS  44   0.925 -51.587 -14.287
  711   2HB   CYS  44          2HB       CYS  44   1.593 -51.882 -12.686
  712    H    PHE  45           H        PHE  45   4.248 -48.914 -14.123
  713    HA   PHE  45           HA       PHE  45   5.267 -49.178 -11.396
  714   1HB   PHE  45          1HB       PHE  45   7.549 -48.574 -12.110
  715   2HB   PHE  45          2HB       PHE  45   7.035 -50.113 -12.794
  716    HD1  PHE  45           HD1      PHE  45   8.159 -46.767 -13.485
  717    HD2  PHE  45           HD2      PHE  45   6.308 -50.201 -15.183
  718    HE1  PHE  45           HE1      PHE  45   8.694 -45.936 -15.738
  719    HE2  PHE  45           HE2      PHE  45   6.840 -49.378 -17.440
  720    HZ   PHE  45           HZ       PHE  45   8.035 -47.242 -17.720
  721    H    TYR  46           H        TYR  46   6.458 -47.102 -10.755
  722    HA   TYR  46           HA       TYR  46   4.698 -44.898 -11.341
  723   1HB   TYR  46          1HB       TYR  46   7.154 -45.038  -9.579
  724   2HB   TYR  46          2HB       TYR  46   6.019 -43.692  -9.641
  725    HD1  TYR  46           HD1      TYR  46   3.837 -43.858  -8.602
  726    HD2  TYR  46           HD2      TYR  46   6.536 -47.146  -8.520
  727    HE1  TYR  46           HE1      TYR  46   2.465 -44.933  -6.867
  728    HE2  TYR  46           HE2      TYR  46   5.170 -48.230  -6.786
  729    HH   TYR  46           HH       TYR  46   3.542 -47.594  -5.060
  730    HA   PRO  47           HA       PRO  47   7.112 -42.821 -14.384
  731   1HB   PRO  47          1HB       PRO  47   6.640 -40.218 -13.764
  732   2HB   PRO  47          2HB       PRO  47   5.430 -41.263 -14.518
  733   1HG   PRO  47          1HG       PRO  47   5.736 -40.483 -11.644
  734   2HG   PRO  47          2HG       PRO  47   4.261 -40.595 -12.624
  735   1HD   PRO  47          1HD       PRO  47   5.006 -42.530 -10.881
  736   2HD   PRO  47          2HD       PRO  47   4.123 -42.883 -12.379
  737    H    ASN  48           H        ASN  48   8.566 -40.610 -14.403
  738    HA   ASN  48           HA       ASN  48  10.305 -40.508 -12.075
  739   1HB   ASN  48          1HB       ASN  48  11.329 -41.329 -14.803
  740   2HB   ASN  48          2HB       ASN  48  12.338 -40.955 -13.409
  741   2HD2  ASN  48          2HD2      ASN  48  10.122 -43.224 -14.820
  742   1HD2  ASN  48          1HD2      ASN  48  10.457 -44.531 -13.742
  743    H    THR  49           H        THR  49  11.377 -38.590 -11.861
  744    HA   THR  49           HA       THR  49  10.908 -36.596 -13.980
  745    HB   THR  49           HB       THR  49  11.134 -36.143 -10.999
  746    HG1  THR  49           HG1      THR  49   8.858 -35.243 -12.011
  747   1HG2  THR  49          1HG2      THR  49  10.632 -34.181 -13.240
  748   2HG2  THR  49          2HG2      THR  49  10.572 -33.810 -11.517
  749   3HG2  THR  49          3HG2      THR  49  12.096 -34.287 -12.264
  750    H    ILE  50           H        ILE  50  12.768 -36.441 -15.087
  751    HA   ILE  50           HA       ILE  50  15.329 -36.623 -13.735
  752    HB   ILE  50           HB       ILE  50  14.686 -36.161 -16.650
  753   1HG1  ILE  50          1HG1      ILE  50  15.597 -38.641 -15.173
  754   2HG1  ILE  50          2HG1      ILE  50  13.992 -38.371 -15.844
  755   1HG2  ILE  50          1HG2      ILE  50  17.320 -36.746 -15.305
  756   2HG2  ILE  50          2HG2      ILE  50  17.050 -36.685 -17.047
  757   3HG2  ILE  50          3HG2      ILE  50  16.851 -35.228 -16.073
  758   1HD1  ILE  50          1HD1      ILE  50  16.549 -38.570 -17.417
  759   2HD1  ILE  50          2HD1      ILE  50  15.315 -39.821 -17.269
  760   3HD1  ILE  50          3HD1      ILE  50  14.940 -38.305 -18.089
  761    H    ASP  51           H        ASP  51  16.889 -34.990 -13.678
  762    HA   ASP  51           HA       ASP  51  15.855 -32.273 -14.159
  763   1HB   ASP  51          1HB       ASP  51  17.290 -31.522 -12.300
  764   2HB   ASP  51          2HB       ASP  51  16.112 -32.718 -11.770
  765    H    VAL  52           H        VAL  52  16.959 -31.038 -15.535
  766    HA   VAL  52           HA       VAL  52  19.502 -32.049 -16.571
  767    HB   VAL  52           HB       VAL  52  19.191 -30.475 -18.417
  768   1HG1  VAL  52          1HG1      VAL  52  18.209 -32.695 -18.603
  769   2HG1  VAL  52          2HG1      VAL  52  16.727 -32.118 -17.841
  770   3HG1  VAL  52          3HG1      VAL  52  17.203 -31.499 -19.422
  771   1HG2  VAL  52          1HG2      VAL  52  16.653 -29.691 -16.986
  772   2HG2  VAL  52          2HG2      VAL  52  18.078 -28.678 -17.217
  773   3HG2  VAL  52          3HG2      VAL  52  17.114 -29.176 -18.607
  774    HA   PRO  53           HA       PRO  53  21.046 -28.703 -13.813
  775   1HB   PRO  53          1HB       PRO  53  23.398 -29.935 -13.258
  776   2HB   PRO  53          2HB       PRO  53  21.904 -30.282 -12.380
  777   1HG   PRO  53          1HG       PRO  53  23.182 -31.803 -14.620
  778   2HG   PRO  53          2HG       PRO  53  22.445 -32.418 -13.130
  779   1HD   PRO  53          1HD       PRO  53  21.153 -32.432 -15.511
  780   2HD   PRO  53          2HD       PRO  53  20.304 -32.233 -13.964
  781    HA   PRO  54           HA       PRO  54  23.633 -26.703 -16.774
  782   1HB   PRO  54          1HB       PRO  54  25.258 -25.228 -15.180
  783   2HB   PRO  54          2HB       PRO  54  23.553 -24.841 -15.430
  784   1HG   PRO  54          1HG       PRO  54  24.857 -26.273 -13.146
  785   2HG   PRO  54          2HG       PRO  54  23.590 -25.031 -13.112
  786   1HD   PRO  54          1HD       PRO  54  23.055 -27.673 -12.834
  787   2HD   PRO  54          2HD       PRO  54  21.921 -26.542 -13.602
  788    H    GLU  55           H        GLU  55  26.312 -26.213 -14.873
  789    HA   GLU  55           HA       GLU  55  27.680 -28.692 -15.265
  790   1HB   GLU  55          1HB       GLU  55  28.442 -26.361 -17.034
  791   2HB   GLU  55          2HB       GLU  55  29.354 -27.855 -16.872
  792   1HG   GLU  55          1HG       GLU  55  26.555 -27.606 -17.949
  793   2HG   GLU  55          2HG       GLU  55  28.018 -27.836 -18.903
  794    H    GLU  56           H        GLU  56  30.293 -27.391 -15.541
  795    HA   GLU  56           HA       GLU  56  30.539 -26.441 -12.782
  796   1HB   GLU  56          1HB       GLU  56  32.939 -26.900 -13.048
  797   2HB   GLU  56          2HB       GLU  56  31.964 -28.318 -13.407
  798   1HG   GLU  56          1HG       GLU  56  32.217 -27.888 -15.797
  799   2HG   GLU  56          2HG       GLU  56  33.197 -26.468 -15.436
  800    H    GLU  57           H        GLU  57  30.098 -24.293 -12.784
  801    HA   GLU  57           HA       GLU  57  31.968 -22.581 -14.233
  802   1HB   GLU  57          1HB       GLU  57  30.197 -21.083 -14.998
  803   2HB   GLU  57          2HB       GLU  57  29.987 -22.694 -15.669
  804   1HG   GLU  57          1HG       GLU  57  28.494 -21.628 -13.284
  805   2HG   GLU  57          2HG       GLU  57  27.881 -21.631 -14.935
  806    H    CYS  58           H        CYS  58  30.132 -23.328 -11.493
  807    HA   CYS  58           HA       CYS  58  30.281 -20.666 -10.337
  808   1HB   CYS  58          1HB       CYS  58  28.289 -22.052  -9.928
  809   2HB   CYS  58          2HB       CYS  58  29.295 -23.269  -9.150
  810    H    GLU  59           H        GLU  59  30.606 -22.217  -7.663
  811    HA   GLU  59           HA       GLU  59  33.514 -22.608  -7.774
  812   1HB   GLU  59          1HB       GLU  59  33.123 -20.334  -6.963
  813   2HB   GLU  59          2HB       GLU  59  32.044 -20.950  -5.718
  814   1HG   GLU  59          1HG       GLU  59  33.906 -22.150  -4.693
  815   2HG   GLU  59          2HG       GLU  59  34.988 -21.533  -5.941
  816    H    PHE  60           H        PHE  60  30.505 -23.716  -6.850
  817    HA   PHE  60           HA       PHE  60  31.342 -25.198  -4.517
  818   1HB   PHE  60          1HB       PHE  60  28.788 -25.332  -6.135
  819   2HB   PHE  60          2HB       PHE  60  29.063 -26.161  -4.607
  820    HD1  PHE  60           HD1      PHE  60  28.644 -25.092  -2.581
  821    HD2  PHE  60           HD2      PHE  60  28.904 -22.795  -6.153
  822    HE1  PHE  60           HE1      PHE  60  27.848 -23.110  -1.359
  823    HE2  PHE  60           HE2      PHE  60  28.109 -20.808  -4.939
  824    HZ   PHE  60           HZ       PHE  60  27.581 -20.964  -2.538

  No H/Q in entry =         824
  Start of MODEL   10
    1    H1   GLU   1           H1       GLU   1  23.642 -10.546   2.696
    2    H2   GLU   1           H2       GLU   1  23.789 -10.334   4.368
    3    H3   GLU   1           H3       GLU   1  24.858 -11.355   3.546
    4    HA   GLU   1           HA       GLU   1  23.095 -12.873   3.010
    5   1HB   GLU   1          1HB       GLU   1  23.122 -12.149   5.948
    6   2HB   GLU   1          2HB       GLU   1  22.599 -13.686   5.277
    7   1HG   GLU   1          1HG       GLU   1  24.778 -14.013   6.111
    8   2HG   GLU   1          2HG       GLU   1  24.916 -13.959   4.356
    9    H    ALA   2           H        ALA   2  22.051  -9.881   3.203
   10    HA   ALA   2           HA       ALA   2  19.411 -10.215   4.276
   11   1HB   ALA   2          1HB       ALA   2  20.542  -8.042   4.306
   12   2HB   ALA   2          2HB       ALA   2  19.004  -7.962   3.444
   13   3HB   ALA   2          3HB       ALA   2  20.519  -8.008   2.542
   14    H    GLN   3           H        GLN   3  18.059 -11.571   3.271
   15    HA   GLN   3           HA       GLN   3  17.362 -11.052   0.503
   16   1HB   GLN   3          1HB       GLN   3  18.244 -13.810   1.370
   17   2HB   GLN   3          2HB       GLN   3  17.664 -13.354  -0.224
   18   1HG   GLN   3          1HG       GLN   3  20.214 -12.462   1.097
   19   2HG   GLN   3          2HG       GLN   3  20.051 -13.561  -0.271
   20   2HE2  GLN   3          2HE2      GLN   3  17.905 -11.934  -1.451
   21   1HE2  GLN   3          1HE2      GLN   3  18.688 -10.565  -2.151
   22    H    THR   4           H        THR   4  15.265 -10.613   0.921
   23    HA   THR   4           HA       THR   4  13.465 -12.691   1.630
   24    HB   THR   4           HB       THR   4  12.595 -11.713   3.722
   25    HG1  THR   4           HG1      THR   4  14.954 -10.209   4.010
   26   1HG2  THR   4          1HG2      THR   4  14.200 -13.565   3.826
   27   2HG2  THR   4          2HG2      THR   4  15.531 -12.408   3.856
   28   3HG2  THR   4          3HG2      THR   4  14.389 -12.474   5.198
   29    H    GLU   5           H        GLU   5  11.396 -11.073   2.691
   30    HA   GLU   5           HA       GLU   5  10.771  -9.443   0.334
   31   1HB   GLU   5          1HB       GLU   5   8.938 -10.451   2.519
   32   2HB   GLU   5          2HB       GLU   5   8.438  -9.607   1.059
   33   1HG   GLU   5          1HG       GLU   5   9.300 -11.462  -0.294
   34   2HG   GLU   5          2HG       GLU   5   9.756 -12.310   1.182
   35    H    THR   6           H        THR   6  10.788  -7.294   0.454
   36    HA   THR   6           HA       THR   6  10.873  -6.059   3.128
   37    HB   THR   6           HB       THR   6  12.025  -5.038   0.526
   38    HG1  THR   6           HG1      THR   6  13.783  -5.363   2.544
   39   1HG2  THR   6          1HG2      THR   6  11.240  -3.207   1.947
   40   2HG2  THR   6          2HG2      THR   6  12.151  -3.864   3.307
   41   3HG2  THR   6          3HG2      THR   6  13.002  -3.251   1.890
   42    H    CYS   7           H        CYS   7   9.996  -3.848   3.275
   43    HA   CYS   7           HA       CYS   7   7.928  -3.198   1.317
   44   1HB   CYS   7          1HB       CYS   7   7.386  -3.552   4.272
   45   2HB   CYS   7          2HB       CYS   7   6.257  -2.839   3.126
   46    H    THR   8           H        THR   8  10.464  -2.247   3.170
   47    HA   THR   8           HA       THR   8   9.609   0.332   4.032
   48    HB   THR   8           HB       THR   8  11.516  -0.757   5.097
   49    HG1  THR   8           HG1      THR   8  11.800   1.732   3.835
   50   1HG2  THR   8          1HG2      THR   8  12.898  -0.393   2.435
   51   2HG2  THR   8          2HG2      THR   8  13.670  -0.937   3.924
   52   3HG2  THR   8          3HG2      THR   8  12.429  -1.930   3.161
   53    H    VAL   9           H        VAL   9   8.593   0.570   1.723
   54    HA   VAL   9           HA       VAL   9  10.543   1.828  -0.084
   55    HB   VAL   9           HB       VAL   9   7.723   0.921  -0.679
   56   1HG1  VAL   9          1HG1      VAL   9   9.881   1.980  -2.502
   57   2HG1  VAL   9          2HG1      VAL   9   8.326   1.332  -3.023
   58   3HG1  VAL   9          3HG1      VAL   9   8.387   2.807  -2.059
   59   1HG2  VAL   9          1HG2      VAL   9   9.210  -0.964  -0.278
   60   2HG2  VAL   9          2HG2      VAL   9   8.793  -0.856  -1.988
   61   3HG2  VAL   9          3HG2      VAL   9  10.374  -0.309  -1.430
   62    H    ALA  10           H        ALA  10   9.715   3.746  -1.304
   63    HA   ALA  10           HA       ALA  10   8.477   5.603   0.571
   64   1HB   ALA  10          1HB       ALA  10  10.557   6.265  -0.538
   65   2HB   ALA  10          2HB       ALA  10   9.763   6.126  -2.108
   66   3HB   ALA  10          3HB       ALA  10   9.229   7.348  -0.954
   67    HA   PRO  11           HA       PRO  11   4.389   5.076  -1.093
   68   1HB   PRO  11          1HB       PRO  11   4.311   7.970  -0.330
   69   2HB   PRO  11          2HB       PRO  11   3.134   6.690  -0.006
   70   1HG   PRO  11          1HG       PRO  11   4.806   7.517   1.897
   71   2HG   PRO  11          2HG       PRO  11   4.377   5.805   1.736
   72   1HD   PRO  11          1HD       PRO  11   6.911   7.192   1.052
   73   2HD   PRO  11          2HD       PRO  11   6.642   5.512   1.558
   74    H    ARG  12           H        ARG  12   6.323   7.954  -1.864
   75    HA   ARG  12           HA       ARG  12   4.876   8.669  -4.189
   76   1HB   ARG  12          1HB       ARG  12   7.741   9.281  -3.438
   77   2HB   ARG  12          2HB       ARG  12   6.835  10.075  -4.719
   78   1HG   ARG  12          1HG       ARG  12   5.259  10.946  -3.071
   79   2HG   ARG  12          2HG       ARG  12   6.162  10.144  -1.784
   80   1HD   ARG  12          1HD       ARG  12   7.223  12.287  -3.624
   81   2HD   ARG  12          2HD       ARG  12   6.740  12.515  -1.943
   82    HE   ARG  12           HE       ARG  12   8.654  10.506  -1.975
   83   1HH1  ARG  12          1HH1      ARG  12   8.436  13.889  -2.770
   84   2HH1  ARG  12          2HH1      ARG  12  10.096  14.217  -2.403
   85   1HH2  ARG  12          1HH2      ARG  12  10.844  10.926  -1.487
   86   2HH2  ARG  12          2HH2      ARG  12  11.465  12.532  -1.672
   87    H    GLU  13           H        GLU  13   7.461   6.415  -3.574
   88    HA   GLU  13           HA       GLU  13   7.635   5.841  -6.458
   89   1HB   GLU  13          1HB       GLU  13   9.643   5.261  -4.273
   90   2HB   GLU  13          2HB       GLU  13   9.836   4.839  -5.969
   91   1HG   GLU  13          1HG       GLU  13   9.615   7.626  -4.855
   92   2HG   GLU  13          2HG       GLU  13  11.092   6.838  -5.406
   93    H    ARG  14           H        ARG  14   5.505   4.824  -4.919
   94    HA   ARG  14           HA       ARG  14   6.203   1.976  -4.668
   95   1HB   ARG  14          1HB       ARG  14   3.834   3.483  -3.545
   96   2HB   ARG  14          2HB       ARG  14   4.123   1.760  -3.349
   97   1HG   ARG  14          1HG       ARG  14   6.204   2.262  -2.146
   98   2HG   ARG  14          2HG       ARG  14   5.864   3.986  -2.307
   99   1HD   ARG  14          1HD       ARG  14   3.790   3.692  -1.042
  100   2HD   ARG  14          2HD       ARG  14   4.129   1.970  -0.884
  101    HE   ARG  14           HE       ARG  14   6.267   3.557   0.121
  102   1HH1  ARG  14          1HH1      ARG  14   3.087   2.361   0.877
  103   2HH1  ARG  14          2HH1      ARG  14   3.331   2.417   2.591
  104   1HH2  ARG  14          1HH2      ARG  14   6.602   3.634   2.378
  105   2HH2  ARG  14          2HH2      ARG  14   5.329   3.141   3.444
  106    H    GLN  15           H        GLN  15   4.782   0.399  -5.561
  107    HA   GLN  15           HA       GLN  15   3.327   1.403  -7.911
  108   1HB   GLN  15          1HB       GLN  15   4.548  -1.318  -7.413
  109   2HB   GLN  15          2HB       GLN  15   3.682  -0.846  -8.869
  110   1HG   GLN  15          1HG       GLN  15   6.077  -0.774  -9.220
  111   2HG   GLN  15          2HG       GLN  15   5.375   0.839  -9.342
  112   2HE2  GLN  15          2HE2      GLN  15   5.806   2.355  -7.738
  113   1HE2  GLN  15          1HE2      GLN  15   7.104   2.161  -6.616
  114    H    ASN  16           H        ASN  16   1.310   1.736  -7.027
  115    HA   ASN  16           HA       ASN  16  -0.222   0.537  -5.260
  116   1HB   ASN  16          1HB       ASN  16  -1.097   2.214  -6.814
  117   2HB   ASN  16          2HB       ASN  16  -1.114   1.023  -8.112
  118   2HD2  ASN  16          2HD2      ASN  16  -3.289   2.594  -6.956
  119   1HD2  ASN  16          1HD2      ASN  16  -4.467   1.450  -6.419
  120    H    CYS  17           H        CYS  17  -1.587  -1.287  -5.047
  121    HA   CYS  17           HA       CYS  17  -1.105  -3.496  -6.913
  122   1HB   CYS  17          1HB       CYS  17   0.498  -3.836  -5.117
  123   2HB   CYS  17          2HB       CYS  17  -0.768  -3.649  -3.910
  124    H    GLY  18           H        GLY  18  -3.242  -1.576  -5.429
  125   1HA   GLY  18          1HA       GLY  18  -5.221  -3.245  -4.382
  126   2HA   GLY  18          2HA       GLY  18  -5.493  -3.126  -6.115
  127    H    PHE  19           H        PHE  19  -6.898  -2.095  -3.608
  128    HA   PHE  19           HA       PHE  19  -7.278   0.640  -4.613
  129   1HB   PHE  19          1HB       PHE  19  -9.496   0.538  -3.521
  130   2HB   PHE  19          2HB       PHE  19  -9.285  -0.725  -4.729
  131    HD1  PHE  19           HD1      PHE  19  -8.846  -3.059  -3.997
  132    HD2  PHE  19           HD2      PHE  19  -9.901   0.021  -1.256
  133    HE1  PHE  19           HE1      PHE  19  -9.456  -4.760  -2.327
  134    HE2  PHE  19           HE2      PHE  19 -10.512  -1.675   0.420
  135    HZ   PHE  19           HZ       PHE  19 -10.290  -4.069  -0.116
  136    HA   PRO  20           HA       PRO  20  -6.048   2.519  -0.834
  137   1HB   PRO  20          1HB       PRO  20  -7.997   4.310  -0.266
  138   2HB   PRO  20          2HB       PRO  20  -6.885   4.511  -1.626
  139   1HG   PRO  20          1HG       PRO  20  -9.695   3.478  -1.614
  140   2HG   PRO  20          2HG       PRO  20  -8.920   4.600  -2.748
  141   1HD   PRO  20          1HD       PRO  20  -9.278   1.964  -3.295
  142   2HD   PRO  20          2HD       PRO  20  -7.912   2.902  -3.931
  143    H    GLY  21           H        GLY  21  -9.425   1.443  -0.763
  144   1HA   GLY  21          1HA       GLY  21 -10.674   0.459   0.891
  145   2HA   GLY  21          2HA       GLY  21  -9.837   1.535   1.999
  146    H    VAL  22           H        VAL  22  -8.406  -1.004   0.003
  147    HA   VAL  22           HA       VAL  22  -8.311  -3.210   1.444
  148    HB   VAL  22           HB       VAL  22  -5.987  -3.622   0.786
  149   1HG1  VAL  22          1HG1      VAL  22  -7.594  -2.197  -1.331
  150   2HG1  VAL  22          2HG1      VAL  22  -6.256  -3.305  -1.630
  151   3HG1  VAL  22          3HG1      VAL  22  -7.737  -3.896  -0.880
  152   1HG2  VAL  22          1HG2      VAL  22  -5.974  -0.700   0.036
  153   2HG2  VAL  22          2HG2      VAL  22  -5.017  -1.467   1.302
  154   3HG2  VAL  22          3HG2      VAL  22  -4.718  -1.861  -0.390
  155    H    THR  23           H        THR  23  -7.006  -4.141   3.118
  156    HA   THR  23           HA       THR  23  -5.986  -2.167   5.056
  157    HB   THR  23           HB       THR  23  -6.726  -3.657   6.871
  158    HG1  THR  23           HG1      THR  23  -6.848  -5.655   5.946
  159   1HG2  THR  23          1HG2      THR  23  -8.196  -1.838   6.154
  160   2HG2  THR  23          2HG2      THR  23  -8.941  -2.903   4.961
  161   3HG2  THR  23          3HG2      THR  23  -9.133  -3.235   6.682
  162    HA   PRO  24           HA       PRO  24  -2.187  -4.273   5.738
  163   1HB   PRO  24          1HB       PRO  24  -3.139  -5.382   8.336
  164   2HB   PRO  24          2HB       PRO  24  -1.679  -4.454   7.976
  165   1HG   PRO  24          1HG       PRO  24  -3.747  -3.308   9.201
  166   2HG   PRO  24          2HG       PRO  24  -2.808  -2.427   7.982
  167   1HD   PRO  24          1HD       PRO  24  -5.509  -3.673   7.758
  168   2HD   PRO  24          2HD       PRO  24  -4.885  -2.186   7.016
  169    H    SER  25           H        SER  25  -4.804  -6.331   7.028
  170    HA   SER  25           HA       SER  25  -3.451  -8.749   6.280
  171   1HB   SER  25          1HB       SER  25  -5.506  -9.872   7.068
  172   2HB   SER  25          2HB       SER  25  -4.909  -8.704   8.245
  173    HG   SER  25           HG       SER  25  -6.462  -7.212   7.219
  174    H    GLN  26           H        GLN  26  -6.197  -6.895   5.038
  175    HA   GLN  26           HA       GLN  26  -7.028  -8.686   3.059
  176   1HB   GLN  26          1HB       GLN  26  -7.152  -5.664   3.044
  177   2HB   GLN  26          2HB       GLN  26  -8.068  -6.724   1.981
  178   1HG   GLN  26          1HG       GLN  26  -9.220  -7.674   3.909
  179   2HG   GLN  26          2HG       GLN  26  -8.296  -6.622   4.981
  180   2HE2  GLN  26          2HE2      GLN  26  -9.443  -5.587   1.863
  181   1HE2  GLN  26          1HE2      GLN  26 -10.640  -4.485   2.445
  182    H    CYS  27           H        CYS  27  -4.521  -6.210   3.032
  183    HA   CYS  27           HA       CYS  27  -3.963  -6.425   0.242
  184   1HB   CYS  27          1HB       CYS  27  -3.398  -4.406   1.512
  185   2HB   CYS  27          2HB       CYS  27  -2.266  -5.327   2.495
  186    H    ALA  28           H        ALA  28  -2.080  -7.442   3.100
  187    HA   ALA  28           HA       ALA  28  -0.139  -8.904   1.759
  188   1HB   ALA  28          1HB       ALA  28  -1.272  -9.459   4.499
  189   2HB   ALA  28          2HB       ALA  28   0.007  -8.303   4.128
  190   3HB   ALA  28          3HB       ALA  28   0.277 -10.028   3.879
  191    H    ASN  29           H        ASN  29  -3.434  -9.717   2.482
  192    HA   ASN  29           HA       ASN  29  -3.229 -12.528   2.176
  193   1HB   ASN  29          1HB       ASN  29  -5.144 -11.496   3.290
  194   2HB   ASN  29          2HB       ASN  29  -5.607 -10.698   1.789
  195   2HD2  ASN  29          2HD2      ASN  29  -6.507 -11.909   0.125
  196   1HD2  ASN  29          1HD2      ASN  29  -7.148 -13.491   0.385
  197    H    LYS  30           H        LYS  30  -2.934 -10.014  -0.035
  198    HA   LYS  30           HA       LYS  30  -3.802 -11.660  -2.301
  199   1HB   LYS  30          1HB       LYS  30  -4.645  -9.359  -2.233
  200   2HB   LYS  30          2HB       LYS  30  -2.997  -8.747  -2.189
  201   1HG   LYS  30          1HG       LYS  30  -4.228 -10.302  -4.455
  202   2HG   LYS  30          2HG       LYS  30  -3.980  -8.555  -4.413
  203   1HD   LYS  30          1HD       LYS  30  -1.558  -8.916  -4.221
  204   2HD   LYS  30          2HD       LYS  30  -1.819 -10.660  -4.289
  205   1HE   LYS  30          1HE       LYS  30  -2.792 -10.430  -6.519
  206   2HE   LYS  30          2HE       LYS  30  -2.545  -8.686  -6.451
  207   1HZ   LYS  30          1HZ       LYS  30  -0.162  -9.067  -6.307
  208   2HZ   LYS  30          2HZ       LYS  30  -0.401 -10.740  -6.376
  209   3HZ   LYS  30          3HZ       LYS  30  -0.796  -9.774  -7.706
  210    H    GLY  31           H        GLY  31  -1.019  -9.676  -1.285
  211   1HA   GLY  31          1HA       GLY  31   0.650 -11.101  -3.234
  212   2HA   GLY  31          2HA       GLY  31   1.097 -11.179  -1.536
  213    H    CYS  32           H        CYS  32   0.373  -8.500  -0.866
  214    HA   CYS  32           HA       CYS  32   2.698  -7.143  -1.961
  215   1HB   CYS  32          1HB       CYS  32  -0.086  -5.979  -2.158
  216   2HB   CYS  32          2HB       CYS  32   1.399  -5.084  -2.462
  217    H    CYS  33           H        CYS  33   3.176  -5.115  -0.790
  218    HA   CYS  33           HA       CYS  33   2.825  -5.488   2.032
  219   1HB   CYS  33          1HB       CYS  33   4.107  -3.206   0.513
  220   2HB   CYS  33          2HB       CYS  33   4.234  -3.481   2.247
  221    H    PHE  34           H        PHE  34   1.944  -3.906   3.495
  222    HA   PHE  34           HA       PHE  34  -0.163  -2.250   2.269
  223   1HB   PHE  34          1HB       PHE  34  -1.139  -4.214   3.360
  224   2HB   PHE  34          2HB       PHE  34  -0.312  -3.807   4.859
  225    HD1  PHE  34           HD1      PHE  34  -2.996  -2.829   2.548
  226    HD2  PHE  34           HD2      PHE  34  -1.145  -2.113   6.313
  227    HE1  PHE  34           HE1      PHE  34  -4.921  -1.455   3.229
  228    HE2  PHE  34           HE2      PHE  34  -3.067  -0.739   7.001
  229    HZ   PHE  34           HZ       PHE  34  -4.958  -0.409   5.458
  230    H    ASP  35           H        ASP  35  -0.377  -0.193   2.970
  231    HA   ASP  35           HA       ASP  35   0.821   0.689   5.445
  232   1HB   ASP  35          1HB       ASP  35   2.759   0.747   3.950
  233   2HB   ASP  35          2HB       ASP  35   1.857   1.723   2.795
  234    H    ASP  36           H        ASP  36  -1.455   1.118   5.766
  235    HA   ASP  36           HA       ASP  36  -2.662   3.210   4.152
  236   1HB   ASP  36          1HB       ASP  36  -4.652   2.839   5.563
  237   2HB   ASP  36          2HB       ASP  36  -4.062   1.338   4.856
  238    H    THR  37           H        THR  37  -0.359   4.051   5.491
  239    HA   THR  37           HA       THR  37  -1.447   5.804   7.597
  240    HB   THR  37           HB       THR  37   0.859   6.044   8.426
  241    HG1  THR  37           HG1      THR  37   2.439   5.434   7.170
  242   1HG2  THR  37          1HG2      THR  37  -0.565   4.303   9.384
  243   2HG2  THR  37          2HG2      THR  37  -0.027   3.170   8.147
  244   3HG2  THR  37          3HG2      THR  37   1.119   3.781   9.340
  245    H    VAL  38           H        VAL  38  -0.207   5.701   4.451
  246    HA   VAL  38           HA       VAL  38   0.399   8.585   4.513
  247    HB   VAL  38           HB       VAL  38   1.351   6.521   2.521
  248   1HG1  VAL  38          1HG1      VAL  38   1.034   8.707   1.497
  249   2HG1  VAL  38          2HG1      VAL  38   2.001   9.457   2.768
  250   3HG1  VAL  38          3HG1      VAL  38   2.750   8.328   1.638
  251   1HG2  VAL  38          1HG2      VAL  38   2.839   7.982   4.701
  252   2HG2  VAL  38          2HG2      VAL  38   2.441   6.263   4.679
  253   3HG2  VAL  38          3HG2      VAL  38   3.569   6.923   3.495
  254    H    ARG  39           H        ARG  39  -1.441   9.602   3.964
  255    HA   ARG  39           HA       ARG  39  -3.366   8.535   2.161
  256   1HB   ARG  39          1HB       ARG  39  -3.017  11.359   3.182
  257   2HB   ARG  39          2HB       ARG  39  -4.435  10.754   2.335
  258   1HG   ARG  39          1HG       ARG  39  -4.842   9.169   4.151
  259   2HG   ARG  39          2HG       ARG  39  -3.422   9.783   5.001
  260   1HD   ARG  39          1HD       ARG  39  -4.453  11.999   5.116
  261   2HD   ARG  39          2HD       ARG  39  -5.870  11.387   4.266
  262    HE   ARG  39           HE       ARG  39  -5.383   9.842   6.579
  263   1HH1  ARG  39          1HH1      ARG  39  -6.547  12.967   5.581
  264   2HH1  ARG  39          2HH1      ARG  39  -7.563  13.176   6.968
  265   1HH2  ARG  39          1HH2      ARG  39  -6.719  10.105   8.410
  266   2HH2  ARG  39          2HH2      ARG  39  -7.661  11.548   8.576
  267    H    GLY  40           H        GLY  40  -4.145  10.085   0.303
  268   1HA   GLY  40          1HA       GLY  40  -2.169  11.538  -1.134
  269   2HA   GLY  40          2HA       GLY  40  -3.729  11.023  -1.756
  270    H    VAL  41           H        VAL  41  -1.679   8.595  -0.443
  271    HA   VAL  41           HA       VAL  41  -0.972   7.731  -3.172
  272    HB   VAL  41           HB       VAL  41   1.014   6.643  -2.254
  273   1HG1  VAL  41          1HG1      VAL  41   0.808   9.556  -1.497
  274   2HG1  VAL  41          2HG1      VAL  41   2.310   8.656  -1.716
  275   3HG1  VAL  41          3HG1      VAL  41   1.230   8.916  -3.086
  276   1HG2  VAL  41          1HG2      VAL  41   0.188   6.169  -0.014
  277   2HG2  VAL  41          2HG2      VAL  41   1.711   7.055   0.060
  278   3HG2  VAL  41          3HG2      VAL  41   0.188   7.891   0.366
  279    HA   PRO  42           HA       PRO  42  -2.967   3.876  -2.455
  280   1HB   PRO  42          1HB       PRO  42  -1.265   2.075  -3.565
  281   2HB   PRO  42          2HB       PRO  42  -2.235   3.198  -4.527
  282   1HG   PRO  42          1HG       PRO  42   0.641   3.392  -3.717
  283   2HG   PRO  42          2HG       PRO  42  -0.107   3.745  -5.286
  284   1HD   PRO  42          1HD       PRO  42   0.555   5.686  -3.515
  285   2HD   PRO  42          2HD       PRO  42  -0.833   5.827  -4.613
  286    H    TRP  43           H        TRP  43  -3.209   2.747  -0.637
  287    HA   TRP  43           HA       TRP  43  -1.104   2.496   1.269
  288   1HB   TRP  43          1HB       TRP  43  -3.857   1.242   1.216
  289   2HB   TRP  43          2HB       TRP  43  -2.768   1.236   2.600
  290    HD1  TRP  43           HD1      TRP  43  -2.134   4.504   1.460
  291    HE1  TRP  43           HE1      TRP  43  -3.689   6.268   2.507
  292    HE3  TRP  43           HE3      TRP  43  -5.802   1.410   3.220
  293    HZ2  TRP  43           HZ2      TRP  43  -6.146   6.338   3.895
  294    HZ3  TRP  43           HZ3      TRP  43  -7.720   2.404   4.397
  295    HH2  TRP  43           HH2      TRP  43  -7.886   4.817   4.728
  296    H    CYS  44           H        CYS  44  -2.895   0.131  -0.704
  297    HA   CYS  44           HA       CYS  44  -0.942  -1.925  -0.006
  298   1HB   CYS  44          1HB       CYS  44  -3.337  -2.507   0.054
  299   2HB   CYS  44          2HB       CYS  44  -3.473  -2.114  -1.656
  300    H    PHE  45           H        PHE  45   0.846  -2.011  -1.187
  301    HA   PHE  45           HA       PHE  45   0.630  -1.730  -4.100
  302   1HB   PHE  45          1HB       PHE  45   2.707  -0.397  -4.138
  303   2HB   PHE  45          2HB       PHE  45   1.415   0.424  -3.268
  304    HD1  PHE  45           HD1      PHE  45   4.734  -0.967  -3.077
  305    HD2  PHE  45           HD2      PHE  45   1.456   0.477  -0.780
  306    HE1  PHE  45           HE1      PHE  45   6.215  -0.716  -1.128
  307    HE2  PHE  45           HE2      PHE  45   2.930   0.732   1.172
  308    HZ   PHE  45           HZ       PHE  45   5.313   0.135   1.000
  309    H    TYR  46           H        TYR  46   2.579  -2.566  -5.237
  310    HA   TYR  46           HA       TYR  46   3.129  -5.191  -4.479
  311   1HB   TYR  46          1HB       TYR  46   4.786  -3.436  -6.305
  312   2HB   TYR  46          2HB       TYR  46   4.787  -5.197  -6.269
  313    HD1  TYR  46           HD1      TYR  46   3.723  -2.562  -8.144
  314    HD2  TYR  46           HD2      TYR  46   2.163  -6.111  -6.391
  315    HE1  TYR  46           HE1      TYR  46   1.920  -2.587  -9.814
  316    HE2  TYR  46           HE2      TYR  46   0.357  -6.146  -8.059
  317    HH   TYR  46           HH       TYR  46   0.383  -4.206 -10.841
  318    HA   PRO  47           HA       PRO  47   6.275  -4.544  -1.434
  319   1HB   PRO  47          1HB       PRO  47   6.900  -7.104  -0.960
  320   2HB   PRO  47          2HB       PRO  47   5.330  -6.436  -0.496
  321   1HG   PRO  47          1HG       PRO  47   6.048  -8.120  -2.863
  322   2HG   PRO  47          2HG       PRO  47   4.624  -8.216  -1.811
  323   1HD   PRO  47          1HD       PRO  47   4.652  -6.988  -4.274
  324   2HD   PRO  47          2HD       PRO  47   3.513  -6.592  -2.974
  325    H    ASN  48           H        ASN  48   8.424  -6.313  -1.098
  326    HA   ASN  48           HA       ASN  48   9.950  -6.165  -3.592
  327   1HB   ASN  48          1HB       ASN  48  10.906  -5.048  -0.947
  328   2HB   ASN  48          2HB       ASN  48  11.881  -5.184  -2.408
  329   2HD2  ASN  48          2HD2      ASN  48  11.122  -2.833  -0.850
  330   1HD2  ASN  48          1HD2      ASN  48  10.322  -1.773  -1.954
  331    H    THR  49           H        THR  49   9.630  -8.466  -3.554
  332    HA   THR  49           HA       THR  49  10.893  -9.954  -1.389
  333    HB   THR  49           HB       THR  49  10.012 -11.953  -2.464
  334    HG1  THR  49           HG1      THR  49   9.911 -11.755  -4.588
  335   1HG2  THR  49          1HG2      THR  49   8.513 -10.630  -1.010
  336   2HG2  THR  49          2HG2      THR  49   7.927  -9.767  -2.432
  337   3HG2  THR  49          3HG2      THR  49   7.634 -11.499  -2.268
  338    H    ILE  50           H        ILE  50  13.076  -9.931  -1.550
  339    HA   ILE  50           HA       ILE  50  14.220 -11.023  -4.019
  340    HB   ILE  50           HB       ILE  50  15.501  -8.743  -2.519
  341   1HG1  ILE  50          1HG1      ILE  50  13.987  -8.693  -5.136
  342   2HG1  ILE  50          2HG1      ILE  50  13.427  -8.007  -3.614
  343   1HG2  ILE  50          1HG2      ILE  50  17.066 -10.205  -3.670
  344   2HG2  ILE  50          2HG2      ILE  50  16.149 -10.029  -5.165
  345   3HG2  ILE  50          3HG2      ILE  50  16.975  -8.635  -4.469
  346   1HD1  ILE  50          1HD1      ILE  50  15.860  -7.122  -5.146
  347   2HD1  ILE  50          2HD1      ILE  50  14.301  -6.297  -5.104
  348   3HD1  ILE  50          3HD1      ILE  50  15.272  -6.425  -3.637
  349    H    ASP  51           H        ASP  51  15.654 -12.596  -3.706
  350    HA   ASP  51           HA       ASP  51  17.231 -12.827  -1.322
  351   1HB   ASP  51          1HB       ASP  51  16.278 -14.964  -0.564
  352   2HB   ASP  51          2HB       ASP  51  15.096 -13.663  -0.468
  353    H    VAL  52           H        VAL  52  18.823 -14.463  -1.460
  354    HA   VAL  52           HA       VAL  52  19.137 -15.568  -4.174
  355    HB   VAL  52           HB       VAL  52  21.547 -15.545  -3.807
  356   1HG1  VAL  52          1HG1      VAL  52  20.515 -13.582  -4.809
  357   2HG1  VAL  52          2HG1      VAL  52  20.254 -12.887  -3.210
  358   3HG1  VAL  52          3HG1      VAL  52  21.894 -13.119  -3.813
  359   1HG2  VAL  52          1HG2      VAL  52  21.569 -15.888  -1.396
  360   2HG2  VAL  52          2HG2      VAL  52  22.510 -14.462  -1.831
  361   3HG2  VAL  52          3HG2      VAL  52  20.895 -14.277  -1.148
  362    HA   PRO  53           HA       PRO  53  19.656 -18.890  -0.644
  363   1HB   PRO  53          1HB       PRO  53  16.778 -18.989  -0.101
  364   2HB   PRO  53          2HB       PRO  53  18.127 -18.885   1.034
  365   1HG   PRO  53          1HG       PRO  53  16.441 -16.822   0.606
  366   2HG   PRO  53          2HG       PRO  53  18.154 -16.586   0.999
  367   1HD   PRO  53          1HD       PRO  53  16.779 -16.429  -1.657
  368   2HD   PRO  53          2HD       PRO  53  18.052 -15.390  -0.980
  369    HA   PRO  54           HA       PRO  54  18.267 -22.093  -3.331
  370   1HB   PRO  54          1HB       PRO  54  17.440 -24.091  -1.695
  371   2HB   PRO  54          2HB       PRO  54  19.139 -23.640  -1.867
  372   1HG   PRO  54          1HG       PRO  54  17.189 -22.896   0.279
  373   2HG   PRO  54          2HG       PRO  54  18.884 -23.396   0.432
  374   1HD   PRO  54          1HD       PRO  54  18.105 -20.801   0.556
  375   2HD   PRO  54          2HD       PRO  54  19.681 -21.299  -0.092
  376    H    GLU  55           H        GLU  55  16.083 -23.888  -1.794
  377    HA   GLU  55           HA       GLU  55  13.719 -22.285  -2.287
  378   1HB   GLU  55          1HB       GLU  55  12.735 -23.850  -3.880
  379   2HB   GLU  55          2HB       GLU  55  14.232 -23.180  -4.514
  380   1HG   GLU  55          1HG       GLU  55  13.979 -25.883  -3.214
  381   2HG   GLU  55          2HG       GLU  55  13.956 -25.594  -4.953
  382    H    GLU  56           H        GLU  56  12.358 -25.048  -2.643
  383    HA   GLU  56           HA       GLU  56  11.962 -25.465   0.210
  384   1HB   GLU  56          1HB       GLU  56  10.048 -26.847  -0.476
  385   2HB   GLU  56          2HB       GLU  56   9.982 -25.244  -1.194
  386   1HG   GLU  56          1HG       GLU  56  10.840 -26.147  -3.294
  387   2HG   GLU  56          2HG       GLU  56  10.908 -27.754  -2.573
  388    H    GLU  57           H        GLU  57  14.224 -26.503  -1.744
  389    HA   GLU  57           HA       GLU  57  14.351 -29.147  -0.479
  390   1HB   GLU  57          1HB       GLU  57  14.941 -28.591  -3.392
  391   2HB   GLU  57          2HB       GLU  57  15.219 -30.122  -2.573
  392   1HG   GLU  57          1HG       GLU  57  12.824 -30.333  -2.151
  393   2HG   GLU  57          2HG       GLU  57  12.546 -28.799  -2.974
  394    H    CYS  58           H        CYS  58  15.988 -28.777   0.906
  395    HA   CYS  58           HA       CYS  58  18.495 -27.704  -0.213
  396   1HB   CYS  58          1HB       CYS  58  17.481 -27.534   2.633
  397   2HB   CYS  58          2HB       CYS  58  19.044 -26.946   2.075
  398    H    GLU  59           H        GLU  59  17.006 -30.153   1.806
  399    HA   GLU  59           HA       GLU  59  19.580 -31.588   1.880
  400   1HB   GLU  59          1HB       GLU  59  18.754 -32.724   3.898
  401   2HB   GLU  59          2HB       GLU  59  18.821 -30.981   4.114
  402   1HG   GLU  59          1HG       GLU  59  16.414 -30.839   3.726
  403   2HG   GLU  59          2HG       GLU  59  16.349 -32.589   3.513
  404    H    PHE  60           H        PHE  60  17.919 -31.722  -0.366
  405    HA   PHE  60           HA       PHE  60  17.191 -34.558  -0.290
  406   1HB   PHE  60          1HB       PHE  60  15.440 -32.380  -1.450
  407   2HB   PHE  60          2HB       PHE  60  15.143 -34.110  -1.599
  408    HD1  PHE  60           HD1      PHE  60  15.195 -31.256   0.710
  409    HD2  PHE  60           HD2      PHE  60  14.242 -35.374   0.215
  410    HE1  PHE  60           HE1      PHE  60  13.942 -31.217   2.828
  411    HE2  PHE  60           HE2      PHE  60  12.986 -35.343   2.330
  412    HZ   PHE  60           HZ       PHE  60  12.835 -33.261   3.640
  413    H1   GLU   1           H1       GLU   1   2.190 -17.650  -5.427
  414    H2   GLU   1           H2       GLU   1   2.305 -16.452  -6.617
  415    H3   GLU   1           H3       GLU   1   3.363 -16.437  -5.298
  416    HA   GLU   1           HA       GLU   1   1.534 -16.030  -3.789
  417   1HB   GLU   1          1HB       GLU   1   1.660 -14.092  -6.109
  418   2HB   GLU   1          2HB       GLU   1   1.033 -13.722  -4.508
  419   1HG   GLU   1          1HG       GLU   1   3.237 -14.129  -3.545
  420   2HG   GLU   1          2HG       GLU   1   3.867 -14.508  -5.148
  421    H    ALA   2           H        ALA   2   0.608 -17.600  -6.418
  422    HA   ALA   2           HA       ALA   2  -2.203 -17.311  -5.794
  423   1HB   ALA   2          1HB       ALA   2  -2.903 -16.836  -8.077
  424   2HB   ALA   2          2HB       ALA   2  -1.218 -16.739  -8.586
  425   3HB   ALA   2          3HB       ALA   2  -1.868 -15.548  -7.459
  426    H    GLN   3           H        GLN   3  -2.962 -19.308  -5.654
  427    HA   GLN   3           HA       GLN   3  -1.564 -21.514  -6.891
  428   1HB   GLN   3          1HB       GLN   3  -4.068 -21.478  -5.197
  429   2HB   GLN   3          2HB       GLN   3  -3.189 -22.921  -5.686
  430   1HG   GLN   3          1HG       GLN   3  -2.668 -22.312  -3.398
  431   2HG   GLN   3          2HG       GLN   3  -1.243 -22.176  -4.427
  432   2HE2  GLN   3          2HE2      GLN   3  -3.630 -20.452  -2.586
  433   1HE2  GLN   3          1HE2      GLN   3  -2.819 -18.926  -2.578
  434    H    THR   4           H        THR   4  -2.889 -23.250  -7.995
  435    HA   THR   4           HA       THR   4  -5.273 -22.461  -9.372
  436    HB   THR   4           HB       THR   4  -4.355 -22.564 -11.658
  437    HG1  THR   4           HG1      THR   4  -2.291 -22.983 -11.999
  438   1HG2  THR   4          1HG2      THR   4  -4.678 -20.383 -10.598
  439   2HG2  THR   4          2HG2      THR   4  -3.050 -20.462  -9.924
  440   3HG2  THR   4          3HG2      THR   4  -3.277 -20.361 -11.670
  441    H    GLU   5           H        GLU   5  -6.320 -24.180 -10.320
  442    HA   GLU   5           HA       GLU   5  -5.286 -26.802  -9.635
  443   1HB   GLU   5          1HB       GLU   5  -7.926 -25.978 -10.858
  444   2HB   GLU   5          2HB       GLU   5  -7.514 -27.606 -10.337
  445   1HG   GLU   5          1HG       GLU   5  -7.284 -26.817  -8.040
  446   2HG   GLU   5          2HG       GLU   5  -7.689 -25.182  -8.561
  447    H    THR   6           H        THR   6  -4.271 -28.108 -11.003
  448    HA   THR   6           HA       THR   6  -4.499 -27.552 -13.891
  449    HB   THR   6           HB       THR   6  -2.133 -28.694 -12.392
  450    HG1  THR   6           HG1      THR   6  -1.640 -26.464 -13.819
  451   1HG2  THR   6          1HG2      THR   6  -2.471 -28.066 -15.328
  452   2HG2  THR   6          2HG2      THR   6  -0.972 -28.576 -14.551
  453   3HG2  THR   6          3HG2      THR   6  -2.348 -29.676 -14.619
  454    H    CYS   7           H        CYS   7  -3.966 -29.496 -15.268
  455    HA   CYS   7           HA       CYS   7  -5.134 -31.921 -14.067
  456   1HB   CYS   7          1HB       CYS   7  -5.396 -30.898 -16.901
  457   2HB   CYS   7          2HB       CYS   7  -5.999 -32.453 -16.338
  458    H    THR   8           H        THR   8  -2.570 -30.554 -15.944
  459    HA   THR   8           HA       THR   8  -1.553 -33.044 -16.945
  460    HB   THR   8           HB       THR   8  -1.077 -30.980 -18.149
  461    HG1  THR   8           HG1      THR   8   0.523 -32.804 -17.963
  462   1HG2  THR   8          1HG2      THR   8   0.497 -30.188 -15.695
  463   2HG2  THR   8          2HG2      THR   8   0.473 -29.311 -17.225
  464   3HG2  THR   8          3HG2      THR   8  -0.996 -29.438 -16.257
  465    H    VAL   9           H        VAL   9  -1.503 -34.240 -14.933
  466    HA   VAL   9           HA       VAL   9   0.935 -33.673 -13.383
  467    HB   VAL   9           HB       VAL   9  -1.667 -34.723 -12.262
  468   1HG1  VAL   9          1HG1      VAL   9   0.264 -35.737 -11.181
  469   2HG1  VAL   9          2HG1      VAL   9   0.962 -34.140 -10.901
  470   3HG1  VAL   9          3HG1      VAL   9  -0.534 -34.604 -10.090
  471   1HG2  VAL   9          1HG2      VAL   9  -0.264 -32.083 -11.852
  472   2HG2  VAL   9          2HG2      VAL   9  -1.779 -32.341 -12.719
  473   3HG2  VAL   9          3HG2      VAL   9  -1.698 -32.626 -10.981
  474    H    ALA  10           H        ALA  10   1.418 -35.746 -11.966
  475    HA   ALA  10           HA       ALA  10   1.772 -37.895 -13.875
  476   1HB   ALA  10          1HB       ALA  10   3.247 -38.873 -12.202
  477   2HB   ALA  10          2HB       ALA  10   3.647 -37.177 -12.475
  478   3HB   ALA  10          3HB       ALA  10   2.749 -37.649 -11.032
  479    HA   PRO  11           HA       PRO  11  -1.469 -40.603 -12.664
  480   1HB   PRO  11          1HB       PRO  11   0.581 -42.748 -12.504
  481   2HB   PRO  11          2HB       PRO  11  -0.903 -42.678 -13.460
  482   1HG   PRO  11          1HG       PRO  11   1.481 -42.352 -14.609
  483   2HG   PRO  11          2HG       PRO  11   0.076 -41.405 -15.130
  484   1HD   PRO  11          1HD       PRO  11   2.391 -40.587 -13.428
  485   2HD   PRO  11          2HD       PRO  11   1.508 -39.656 -14.657
  486    H    ARG  12           H        ARG  12   1.366 -40.220 -10.756
  487    HA   ARG  12           HA       ARG  12   0.439 -41.840  -8.552
  488   1HB   ARG  12          1HB       ARG  12   2.762 -39.914  -8.753
  489   2HB   ARG  12          2HB       ARG  12   2.451 -40.986  -7.393
  490   1HG   ARG  12          1HG       ARG  12   2.749 -42.925  -8.827
  491   2HG   ARG  12          2HG       ARG  12   3.012 -41.870 -10.217
  492   1HD   ARG  12          1HD       ARG  12   4.727 -41.986  -7.737
  493   2HD   ARG  12          2HD       ARG  12   5.124 -42.703  -9.299
  494    HE   ARG  12           HE       ARG  12   4.604 -39.861  -9.358
  495   1HH1  ARG  12          1HH1      ARG  12   6.994 -42.373  -9.016
  496   2HH1  ARG  12          2HH1      ARG  12   8.316 -41.356  -9.481
  497   1HH2  ARG  12          1HH2      ARG  12   6.339 -38.515  -9.972
  498   2HH2  ARG  12          2HH2      ARG  12   7.945 -39.162 -10.024
  499    H    GLU  13           H        GLU  13   0.369 -38.487  -9.504
  500    HA   GLU  13           HA       GLU  13  -0.641 -37.668  -6.885
  501   1HB   GLU  13          1HB       GLU  13  -0.011 -36.030  -9.347
  502   2HB   GLU  13          2HB       GLU  13  -0.512 -35.377  -7.793
  503   1HG   GLU  13          1HG       GLU  13   1.507 -36.285  -6.761
  504   2HG   GLU  13          2HG       GLU  13   2.009 -36.936  -8.320
  505    H    ARG  14           H        ARG  14  -1.750 -38.511 -10.017
  506    HA   ARG  14           HA       ARG  14  -4.179 -37.084 -10.092
  507   1HB   ARG  14          1HB       ARG  14  -3.526 -39.783 -11.290
  508   2HB   ARG  14          2HB       ARG  14  -4.901 -38.777 -11.725
  509   1HG   ARG  14          1HG       ARG  14  -3.380 -37.046 -12.537
  510   2HG   ARG  14          2HG       ARG  14  -2.001 -38.058 -12.103
  511   1HD   ARG  14          1HD       ARG  14  -2.775 -39.775 -13.667
  512   2HD   ARG  14          2HD       ARG  14  -4.152 -38.762 -14.097
  513    HE   ARG  14           HE       ARG  14  -1.693 -37.393 -14.493
  514   1HH1  ARG  14          1HH1      ARG  14  -3.777 -39.817 -15.874
  515   2HH1  ARG  14          2HH1      ARG  14  -3.242 -39.538 -17.498
  516   1HH2  ARG  14          1HH2      ARG  14  -0.981 -37.017 -16.628
  517   2HH2  ARG  14          2HH2      ARG  14  -1.652 -37.947 -17.926
  518    H    GLN  15           H        GLN  15  -5.290 -37.133  -8.181
  519    HA   GLN  15           HA       GLN  15  -5.758 -39.598  -6.776
  520   1HB   GLN  15          1HB       GLN  15  -5.464 -37.479  -5.572
  521   2HB   GLN  15          2HB       GLN  15  -6.911 -36.838  -6.339
  522   1HG   GLN  15          1HG       GLN  15  -8.283 -38.464  -5.207
  523   2HG   GLN  15          2HG       GLN  15  -6.853 -39.230  -4.515
  524   2HE2  GLN  15          2HE2      GLN  15  -5.531 -36.665  -4.067
  525   1HE2  GLN  15          1HE2      GLN  15  -6.307 -35.964  -2.690
  526    H    ASN  16           H        ASN  16  -7.003 -40.990  -7.902
  527    HA   ASN  16           HA       ASN  16  -8.836 -40.879  -9.736
  528   1HB   ASN  16          1HB       ASN  16  -8.419 -42.934  -8.475
  529   2HB   ASN  16          2HB       ASN  16  -9.349 -42.307  -7.118
  530   2HD2  ASN  16          2HD2      ASN  16 -10.268 -41.771 -10.431
  531   1HD2  ASN  16          1HD2      ASN  16 -11.663 -42.789 -10.418
  532    H    CYS  17           H        CYS  17 -11.025 -40.438 -10.070
  533    HA   CYS  17           HA       CYS  17 -12.469 -39.001  -7.975
  534   1HB   CYS  17          1HB       CYS  17 -11.386 -37.231  -9.240
  535   2HB   CYS  17          2HB       CYS  17 -11.975 -37.909 -10.753
  536    H    GLY  18           H        GLY  18 -12.420 -41.460 -10.035
  537   1HA   GLY  18          1HA       GLY  18 -14.687 -41.475 -11.580
  538   2HA   GLY  18          2HA       GLY  18 -15.258 -41.833  -9.958
  539    H    PHE  19           H        PHE  19 -14.923 -43.393 -12.590
  540    HA   PHE  19           HA       PHE  19 -13.736 -45.767 -11.330
  541   1HB   PHE  19          1HB       PHE  19 -15.070 -47.071 -12.949
  542   2HB   PHE  19          2HB       PHE  19 -16.076 -46.038 -11.941
  543    HD1  PHE  19           HD1      PHE  19 -15.139 -46.920 -15.277
  544    HD2  PHE  19           HD2      PHE  19 -16.906 -43.857 -12.909
  545    HE1  PHE  19           HE1      PHE  19 -16.158 -45.952 -17.297
  546    HE2  PHE  19           HE2      PHE  19 -17.928 -42.883 -14.924
  547    HZ   PHE  19           HZ       PHE  19 -17.555 -43.931 -17.121
  548    HA   PRO  20           HA       PRO  20 -10.545 -46.278 -14.283
  549   1HB   PRO  20          1HB       PRO  20 -10.907 -48.731 -15.418
  550   2HB   PRO  20          2HB       PRO  20 -10.323 -48.499 -13.766
  551   1HG   PRO  20          1HG       PRO  20 -13.084 -49.142 -14.726
  552   2HG   PRO  20          2HG       PRO  20 -12.191 -49.818 -13.351
  553   1HD   PRO  20          1HD       PRO  20 -14.083 -47.922 -13.040
  554   2HD   PRO  20          2HD       PRO  20 -12.647 -47.999 -11.999
  555    H    GLY  21           H        GLY  21 -13.722 -47.034 -15.626
  556   1HA   GLY  21          1HA       GLY  21 -14.352 -47.102 -17.899
  557   2HA   GLY  21          2HA       GLY  21 -12.771 -46.469 -18.332
  558    H    VAL  22           H        VAL  22 -13.633 -44.566 -15.871
  559    HA   VAL  22           HA       VAL  22 -15.666 -42.915 -16.456
  560    HB   VAL  22           HB       VAL  22 -14.352 -41.009 -15.602
  561   1HG1  VAL  22          1HG1      VAL  22 -14.026 -43.625 -14.142
  562   2HG1  VAL  22          2HG1      VAL  22 -13.739 -42.043 -13.417
  563   3HG1  VAL  22          3HG1      VAL  22 -15.350 -42.470 -13.990
  564   1HG2  VAL  22          1HG2      VAL  22 -12.038 -42.938 -15.766
  565   2HG2  VAL  22          2HG2      VAL  22 -12.231 -41.440 -16.675
  566   3HG2  VAL  22          3HG2      VAL  22 -12.002 -41.388 -14.928
  567    H    THR  23           H        THR  23 -15.986 -40.999 -17.667
  568    HA   THR  23           HA       THR  23 -14.232 -40.698 -20.013
  569    HB   THR  23           HB       THR  23 -16.212 -40.219 -21.399
  570    HG1  THR  23           HG1      THR  23 -18.116 -41.310 -19.869
  571   1HG2  THR  23          1HG2      THR  23 -16.339 -42.885 -19.986
  572   2HG2  THR  23          2HG2      THR  23 -17.079 -42.514 -21.544
  573   3HG2  THR  23          3HG2      THR  23 -15.323 -42.491 -21.372
  574    HA   PRO  24           HA       PRO  24 -14.185 -36.324 -19.551
  575   1HB   PRO  24          1HB       PRO  24 -15.487 -35.342 -21.793
  576   2HB   PRO  24          2HB       PRO  24 -13.791 -35.830 -21.736
  577   1HG   PRO  24          1HG       PRO  24 -16.169 -37.347 -22.716
  578   2HG   PRO  24          2HG       PRO  24 -14.527 -37.280 -23.382
  579   1HD   PRO  24          1HD       PRO  24 -15.372 -39.385 -21.955
  580   2HD   PRO  24          2HD       PRO  24 -13.702 -38.794 -21.830
  581    H    SER  25           H        SER  25 -17.324 -37.634 -20.472
  582    HA   SER  25           HA       SER  25 -18.755 -35.385 -19.338
  583   1HB   SER  25          1HB       SER  25 -20.781 -36.645 -19.977
  584   2HB   SER  25          2HB       SER  25 -19.659 -36.486 -21.329
  585    HG   SER  25           HG       SER  25 -20.243 -38.596 -21.313
  586    H    GLN  26           H        GLN  26 -18.413 -38.858 -18.635
  587    HA   GLN  26           HA       GLN  26 -19.957 -38.879 -16.295
  588   1HB   GLN  26          1HB       GLN  26 -17.624 -40.650 -17.046
  589   2HB   GLN  26          2HB       GLN  26 -18.788 -40.990 -15.773
  590   1HG   GLN  26          1HG       GLN  26 -20.577 -41.086 -17.430
  591   2HG   GLN  26          2HG       GLN  26 -19.411 -40.741 -18.707
  592   2HE2  GLN  26          2HE2      GLN  26 -20.563 -43.100 -16.431
  593   1HE2  GLN  26          1HE2      GLN  26 -19.752 -44.461 -17.119
  594    H    CYS  27           H        CYS  27 -16.610 -38.033 -16.869
  595    HA   CYS  27           HA       CYS  27 -15.906 -37.972 -14.081
  596   1HB   CYS  27          1HB       CYS  27 -14.237 -38.451 -15.844
  597   2HB   CYS  27          2HB       CYS  27 -14.447 -36.820 -16.469
  598    H    ALA  28           H        ALA  28 -16.256 -35.463 -16.594
  599    HA   ALA  28           HA       ALA  28 -15.982 -33.205 -15.061
  600   1HB   ALA  28          1HB       ALA  28 -17.946 -33.599 -17.316
  601   2HB   ALA  28          2HB       ALA  28 -17.357 -32.051 -16.709
  602   3HB   ALA  28          3HB       ALA  28 -16.244 -33.173 -17.493
  603    H    ASN  29           H        ASN  29 -18.750 -35.350 -15.297
  604    HA   ASN  29           HA       ASN  29 -20.737 -33.867 -14.094
  605   1HB   ASN  29          1HB       ASN  29 -21.105 -36.127 -14.967
  606   2HB   ASN  29          2HB       ASN  29 -20.119 -36.802 -13.674
  607   2HD2  ASN  29          2HD2      ASN  29 -21.796 -38.069 -12.911
  608   1HD2  ASN  29          1HD2      ASN  29 -23.145 -37.404 -12.060
  609    H    LYS  30           H        LYS  30 -17.893 -35.294 -12.684
  610    HA   LYS  30           HA       LYS  30 -18.732 -34.484  -9.997
  611   1HB   LYS  30          1HB       LYS  30 -16.313 -36.045 -10.924
  612   2HB   LYS  30          2HB       LYS  30 -16.689 -35.670  -9.248
  613   1HG   LYS  30          1HG       LYS  30 -18.755 -36.970  -9.423
  614   2HG   LYS  30          2HG       LYS  30 -18.364 -37.353 -11.101
  615   1HD   LYS  30          1HD       LYS  30 -17.755 -39.190  -9.612
  616   2HD   LYS  30          2HD       LYS  30 -16.326 -38.487 -10.372
  617   1HE   LYS  30          1HE       LYS  30 -15.933 -38.931  -8.006
  618   2HE   LYS  30          2HE       LYS  30 -15.875 -37.202  -8.345
  619   1HZ   LYS  30          1HZ       LYS  30 -18.189 -38.659  -7.185
  620   2HZ   LYS  30          2HZ       LYS  30 -17.118 -37.666  -6.330
  621   3HZ   LYS  30          3HZ       LYS  30 -18.133 -36.999  -7.508
  622    H    GLY  31           H        GLY  31 -16.972 -33.371 -12.652
  623   1HA   GLY  31          1HA       GLY  31 -16.140 -31.018 -11.223
  624   2HA   GLY  31          2HA       GLY  31 -15.913 -31.337 -12.937
  625    H    CYS  32           H        CYS  32 -14.421 -33.596 -12.974
  626    HA   CYS  32           HA       CYS  32 -11.947 -32.730 -11.633
  627   1HB   CYS  32          1HB       CYS  32 -12.883 -35.569 -12.090
  628   2HB   CYS  32          2HB       CYS  32 -11.292 -35.122 -11.483
  629    H    CYS  33           H        CYS  33  -9.965 -33.631 -12.726
  630    HA   CYS  33           HA       CYS  33 -10.075 -33.006 -15.519
  631   1HB   CYS  33          1HB       CYS  33  -7.802 -34.073 -13.832
  632   2HB   CYS  33          2HB       CYS  33  -7.647 -33.477 -15.481
  633    H    PHE  34           H        PHE  34  -9.584 -34.367 -17.268
  634    HA   PHE  34           HA       PHE  34  -9.737 -37.253 -16.706
  635   1HB   PHE  34          1HB       PHE  34 -11.900 -36.487 -17.560
  636   2HB   PHE  34          2HB       PHE  34 -11.108 -35.770 -18.959
  637    HD1  PHE  34           HD1      PHE  34 -12.086 -38.910 -17.338
  638    HD2  PHE  34           HD2      PHE  34 -10.369 -37.119 -20.794
  639    HE1  PHE  34           HE1      PHE  34 -12.325 -41.035 -18.553
  640    HE2  PHE  34           HE2      PHE  34 -10.604 -39.241 -22.016
  641    HZ   PHE  34           HZ       PHE  34 -11.584 -41.204 -20.895
  642    H    ASP  35           H        ASP  35  -8.133 -38.406 -17.554
  643    HA   ASP  35           HA       ASP  35  -6.873 -37.587 -20.040
  644   1HB   ASP  35          1HB       ASP  35  -5.562 -36.383 -18.358
  645   2HB   ASP  35          2HB       ASP  35  -5.292 -37.883 -17.476
  646    H    ASP  36           H        ASP  36  -7.942 -39.557 -20.691
  647    HA   ASP  36           HA       ASP  36  -7.254 -42.067 -19.525
  648   1HB   ASP  36          1HB       ASP  36  -8.391 -43.041 -21.483
  649   2HB   ASP  36          2HB       ASP  36  -9.357 -41.774 -20.733
  650    H    THR  37           H        THR  37  -5.315 -40.007 -21.045
  651    HA   THR  37           HA       THR  37  -4.016 -41.696 -22.957
  652    HB   THR  37           HB       THR  37  -2.268 -39.961 -23.013
  653    HG1  THR  37           HG1      THR  37  -2.104 -38.524 -21.454
  654   1HG2  THR  37          1HG2      THR  37  -4.282 -39.663 -24.370
  655   2HG2  THR  37          2HG2      THR  37  -5.073 -38.841 -23.025
  656   3HG2  THR  37          3HG2      THR  37  -3.670 -38.109 -23.802
  657    H    VAL  38           H        VAL  38  -4.078 -41.709 -19.632
  658    HA   VAL  38           HA       VAL  38  -1.402 -42.933 -19.466
  659    HB   VAL  38           HB       VAL  38  -2.982 -41.610 -17.256
  660   1HG1  VAL  38          1HG1      VAL  38  -1.635 -43.487 -16.455
  661   2HG1  VAL  38          2HG1      VAL  38  -0.208 -42.795 -17.226
  662   3HG1  VAL  38          3HG1      VAL  38  -0.987 -41.946 -15.891
  663   1HG2  VAL  38          1HG2      VAL  38  -0.482 -40.720 -18.690
  664   2HG2  VAL  38          2HG2      VAL  38  -2.081 -39.991 -18.833
  665   3HG2  VAL  38          3HG2      VAL  38  -1.211 -39.914 -17.302
  666    H    ARG  39           H        ARG  39  -1.544 -45.074 -19.442
  667    HA   ARG  39           HA       ARG  39  -3.912 -46.390 -18.387
  668   1HB   ARG  39          1HB       ARG  39  -1.444 -47.531 -19.710
  669   2HB   ARG  39          2HB       ARG  39  -2.875 -48.451 -19.265
  670   1HG   ARG  39          1HG       ARG  39  -4.214 -47.133 -20.821
  671   2HG   ARG  39          2HG       ARG  39  -2.782 -46.199 -21.262
  672   1HD   ARG  39          1HD       ARG  39  -1.708 -48.236 -22.085
  673   2HD   ARG  39          2HD       ARG  39  -3.132 -49.173 -21.634
  674    HE   ARG  39           HE       ARG  39  -4.047 -47.194 -23.313
  675   1HH1  ARG  39          1HH1      ARG  39  -1.742 -49.797 -23.504
  676   2HH1  ARG  39          2HH1      ARG  39  -1.967 -50.045 -25.204
  677   1HH2  ARG  39          1HH2      ARG  39  -4.352 -47.511 -25.551
  678   2HH2  ARG  39          2HH2      ARG  39  -3.451 -48.744 -26.368
  679    H    GLY  40           H        GLY  40  -3.878 -47.939 -16.723
  680   1HA   GLY  40          1HA       GLY  40  -1.439 -48.017 -15.079
  681   2HA   GLY  40          2HA       GLY  40  -2.745 -49.191 -15.019
  682    H    VAL  41           H        VAL  41  -3.084 -45.680 -15.004
  683    HA   VAL  41           HA       VAL  41  -4.043 -45.848 -12.222
  684    HB   VAL  41           HB       VAL  41  -3.541 -43.464 -12.010
  685   1HG1  VAL  41          1HG1      VAL  41  -1.818 -45.085 -11.408
  686   2HG1  VAL  41          2HG1      VAL  41  -1.200 -45.051 -13.060
  687   3HG1  VAL  41          3HG1      VAL  41  -1.101 -43.608 -12.051
  688   1HG2  VAL  41          1HG2      VAL  41  -3.901 -42.803 -14.330
  689   2HG2  VAL  41          2HG2      VAL  41  -2.314 -42.279 -13.766
  690   3HG2  VAL  41          3HG2      VAL  41  -2.456 -43.689 -14.816
  691    HA   PRO  42           HA       PRO  42  -8.053 -44.388 -13.321
  692   1HB   PRO  42          1HB       PRO  42  -8.556 -42.376 -11.566
  693   2HB   PRO  42          2HB       PRO  42  -8.523 -44.079 -11.093
  694   1HG   PRO  42          1HG       PRO  42  -6.398 -41.990 -10.799
  695   2HG   PRO  42          2HG       PRO  42  -6.924 -43.222  -9.638
  696   1HD   PRO  42          1HD       PRO  42  -4.694 -43.501 -11.147
  697   2HD   PRO  42          2HD       PRO  42  -5.690 -44.885 -10.653
  698    H    TRP  43           H        TRP  43  -8.521 -43.333 -15.141
  699    HA   TRP  43           HA       TRP  43  -7.055 -41.160 -16.145
  700   1HB   TRP  43          1HB       TRP  43  -9.832 -42.096 -16.897
  701   2HB   TRP  43          2HB       TRP  43  -8.842 -40.989 -17.843
  702    HD1  TRP  43           HD1      TRP  43  -6.102 -42.785 -17.320
  703    HE1  TRP  43           HE1      TRP  43  -5.810 -44.901 -18.757
  704    HE3  TRP  43           HE3      TRP  43 -10.965 -43.484 -18.736
  705    HZ2  TRP  43           HZ2      TRP  43  -7.427 -46.637 -20.287
  706    HZ3  TRP  43           HZ3      TRP  43 -11.507 -45.395 -20.187
  707    HH2  TRP  43           HH2      TRP  43  -9.774 -46.938 -20.947
  708    H    CYS  44           H        CYS  44 -10.214 -41.291 -14.529
  709    HA   CYS  44           HA       CYS  44 -10.423 -38.397 -14.534
  710   1HB   CYS  44          1HB       CYS  44 -12.451 -39.723 -14.863
  711   2HB   CYS  44          2HB       CYS  44 -12.205 -40.512 -13.309
  712    H    PHE  45           H        PHE  45  -9.548 -37.159 -13.024
  713    HA   PHE  45           HA       PHE  45  -9.468 -38.055 -10.259
  714   1HB   PHE  45          1HB       PHE  45  -7.073 -37.507 -10.012
  715   2HB   PHE  45          2HB       PHE  45  -7.331 -38.848 -11.123
  716    HD1  PHE  45           HD1      PHE  45  -6.858 -38.625 -13.472
  717    HD2  PHE  45           HD2      PHE  45  -6.322 -35.344 -10.816
  718    HE1  PHE  45           HE1      PHE  45  -5.559 -37.447 -15.198
  719    HE2  PHE  45           HE2      PHE  45  -5.023 -34.158 -12.537
  720    HZ   PHE  45           HZ       PHE  45  -4.641 -35.209 -14.731
  721    H    TYR  46           H        TYR  46  -8.834 -36.292  -8.774
  722    HA   TYR  46           HA       TYR  46 -10.193 -33.894  -9.448
  723   1HB   TYR  46          1HB       TYR  46  -8.400 -34.520  -7.093
  724   2HB   TYR  46          2HB       TYR  46  -9.436 -33.103  -7.226
  725    HD1  TYR  46           HD1      TYR  46 -11.843 -33.292  -6.977
  726    HD2  TYR  46           HD2      TYR  46  -9.346 -36.724  -6.685
  727    HE1  TYR  46           HE1      TYR  46 -13.706 -34.556  -5.989
  728    HE2  TYR  46           HE2      TYR  46 -11.203 -37.998  -5.697
  729    HH   TYR  46           HH       TYR  46 -13.291 -37.558  -4.471
  730    HA   PRO  47           HA       PRO  47  -7.086 -31.330 -11.200
  731   1HB   PRO  47          1HB       PRO  47  -7.548 -28.949  -9.911
  732   2HB   PRO  47          2HB       PRO  47  -8.527 -29.558 -11.249
  733   1HG   PRO  47          1HG       PRO  47  -9.048 -29.687  -8.307
  734   2HG   PRO  47          2HG       PRO  47 -10.175 -29.340  -9.631
  735   1HD   PRO  47          1HD       PRO  47 -10.076 -31.753  -8.447
  736   2HD   PRO  47          2HD       PRO  47 -10.412 -31.577 -10.181
  737    H    ASN  48           H        ASN  48  -5.490 -29.437 -10.356
  738    HA   ASN  48           HA       ASN  48  -4.246 -30.354  -7.859
  739   1HB   ASN  48          1HB       ASN  48  -2.794 -29.883 -10.471
  740   2HB   ASN  48          2HB       ASN  48  -2.021 -30.234  -8.927
  741   2HD2  ASN  48          2HD2      ASN  48  -3.911 -31.506 -11.546
  742   1HD2  ASN  48          1HD2      ASN  48  -3.714 -33.174 -11.146
  743    H    THR  49           H        THR  49  -5.196 -28.429  -6.969
  744    HA   THR  49           HA       THR  49  -4.209 -25.864  -7.905
  745    HB   THR  49           HB       THR  49  -6.496 -25.955  -7.078
  746    HG1  THR  49           HG1      THR  49  -5.173 -24.563  -5.029
  747   1HG2  THR  49          1HG2      THR  49  -6.252 -27.799  -5.489
  748   2HG2  THR  49          2HG2      THR  49  -5.274 -26.774  -4.439
  749   3HG2  THR  49          3HG2      THR  49  -6.973 -26.391  -4.711
  750    H    ILE  50           H        ILE  50  -1.988 -25.968  -7.568
  751    HA   ILE  50           HA       ILE  50  -1.088 -26.364  -4.796
  752    HB   ILE  50           HB       ILE  50   0.518 -26.495  -7.351
  753   1HG1  ILE  50          1HG1      ILE  50  -0.428 -28.690  -5.493
  754   2HG1  ILE  50          2HG1      ILE  50  -1.055 -28.369  -7.107
  755   1HG2  ILE  50          1HG2      ILE  50   1.856 -25.732  -5.472
  756   2HG2  ILE  50          2HG2      ILE  50   1.304 -27.099  -4.503
  757   3HG2  ILE  50          3HG2      ILE  50   2.309 -27.376  -5.926
  758   1HD1  ILE  50          1HD1      ILE  50   1.752 -29.226  -6.444
  759   2HD1  ILE  50          2HD1      ILE  50   0.479 -30.247  -7.112
  760   3HD1  ILE  50          3HD1      ILE  50   1.123 -28.907  -8.060
  761    H    ASP  51           H        ASP  51   0.954 -25.087  -4.261
  762    HA   ASP  51           HA       ASP  51   0.560 -22.301  -5.122
  763   1HB   ASP  51          1HB       ASP  51   1.809 -23.357  -2.575
  764   2HB   ASP  51          2HB       ASP  51   1.594 -21.657  -2.984
  765    H    VAL  52           H        VAL  52   2.719 -20.999  -4.684
  766    HA   VAL  52           HA       VAL  52   5.120 -22.463  -5.359
  767    HB   VAL  52           HB       VAL  52   4.031 -20.409  -7.291
  768   1HG1  VAL  52          1HG1      VAL  52   6.589 -22.007  -7.341
  769   2HG1  VAL  52          2HG1      VAL  52   6.003 -20.977  -8.646
  770   3HG1  VAL  52          3HG1      VAL  52   6.445 -20.267  -7.094
  771   1HG2  VAL  52          1HG2      VAL  52   2.876 -22.544  -7.491
  772   2HG2  VAL  52          2HG2      VAL  52   3.925 -22.270  -8.883
  773   3HG2  VAL  52          3HG2      VAL  52   4.423 -23.384  -7.610
  774    HA   PRO  53           HA       PRO  53   5.428 -18.047  -3.462
  775   1HB   PRO  53          1HB       PRO  53   4.756 -18.385  -0.874
  776   2HB   PRO  53          2HB       PRO  53   3.559 -17.985  -2.112
  777   1HG   PRO  53          1HG       PRO  53   4.205 -20.640  -0.890
  778   2HG   PRO  53          2HG       PRO  53   2.621 -19.932  -1.254
  779   1HD   PRO  53          1HD       PRO  53   3.840 -21.775  -2.853
  780   2HD   PRO  53          2HD       PRO  53   2.718 -20.544  -3.465
  781    HA   PRO  54           HA       PRO  54   9.423 -19.523  -2.151
  782   1HB   PRO  54          1HB       PRO  54  10.014 -16.716  -1.553
  783   2HB   PRO  54          2HB       PRO  54  10.736 -17.775  -2.766
  784   1HG   PRO  54          1HG       PRO  54   9.115 -15.722  -3.430
  785   2HG   PRO  54          2HG       PRO  54   9.175 -17.225  -4.367
  786   1HD   PRO  54          1HD       PRO  54   7.157 -16.334  -2.340
  787   2HD   PRO  54          2HD       PRO  54   6.905 -17.158  -3.895
  788    H    GLU  55           H        GLU  55  10.756 -19.535  -0.245
  789    HA   GLU  55           HA       GLU  55   9.318 -18.697   2.188
  790   1HB   GLU  55          1HB       GLU  55  11.055 -21.142   1.803
  791   2HB   GLU  55          2HB       GLU  55  10.309 -20.653   3.318
  792   1HG   GLU  55          1HG       GLU  55   8.097 -20.942   2.324
  793   2HG   GLU  55          2HG       GLU  55   8.846 -21.431   0.804
  794    H    GLU  56           H        GLU  56  11.313 -19.332   4.023
  795    HA   GLU  56           HA       GLU  56  13.198 -17.166   3.493
  796   1HB   GLU  56          1HB       GLU  56  12.605 -18.674   6.046
  797   2HB   GLU  56          2HB       GLU  56  13.695 -17.302   5.906
  798   1HG   GLU  56          1HG       GLU  56  11.553 -16.625   6.814
  799   2HG   GLU  56          2HG       GLU  56  11.836 -15.876   5.244
  800    H    GLU  57           H        GLU  57  14.873 -18.495   5.711
  801    HA   GLU  57           HA       GLU  57  16.672 -19.842   3.894
  802   1HB   GLU  57          1HB       GLU  57  16.914 -19.284   6.857
  803   2HB   GLU  57          2HB       GLU  57  18.194 -19.927   5.836
  804   1HG   GLU  57          1HG       GLU  57  18.501 -17.556   6.230
  805   2HG   GLU  57          2HG       GLU  57  18.191 -17.875   4.524
  806    H    CYS  58           H        CYS  58  17.763 -21.894   4.687
  807    HA   CYS  58           HA       CYS  58  15.854 -23.686   6.019
  808   1HB   CYS  58          1HB       CYS  58  16.370 -25.452   4.372
  809   2HB   CYS  58          2HB       CYS  58  15.603 -24.055   3.624
  810    H    GLU  59           H        GLU  59  16.925 -24.079   7.868
  811    HA   GLU  59           HA       GLU  59  19.772 -24.793   7.714
  812   1HB   GLU  59          1HB       GLU  59  19.244 -22.956   9.239
  813   2HB   GLU  59          2HB       GLU  59  18.093 -23.975  10.092
  814   1HG   GLU  59          1HG       GLU  59  19.907 -25.453  10.783
  815   2HG   GLU  59          2HG       GLU  59  21.063 -24.434   9.926
  816    H    PHE  60           H        PHE  60  17.124 -25.701   9.917
  817    HA   PHE  60           HA       PHE  60  18.082 -28.470   9.809
  818   1HB   PHE  60          1HB       PHE  60  16.184 -27.140  11.754
  819   2HB   PHE  60          2HB       PHE  60  16.744 -28.806  11.851
  820    HD1  PHE  60           HD1      PHE  60  19.234 -29.211  12.139
  821    HD2  PHE  60           HD2      PHE  60  17.409 -25.410  12.717
  822    HE1  PHE  60           HE1      PHE  60  21.179 -28.483  13.459
  823    HE2  PHE  60           HE2      PHE  60  19.351 -24.674  14.037
  824    HZ   PHE  60           HZ       PHE  60  21.239 -26.212  14.409

  No H/Q in entry =         824