*HEADER    TOXIN                                   29-APR-14   2MOP              
*TITLE     STRUCTURE OF BITISTATIN A                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DISINTEGRIN BITISTATIN;                                    
*COMPND   3 CHAIN: 1;                                                            
*COMPND   4 SYNONYM: ARIETIN, BITAN, DISINTEGRIN ISOFORM D-1, PLATELET           
*COMPND   5 AGGREGATION ACTIVATION INHIBITOR, VENOM PROTEIN CM-2                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BITIS ARIETANS;                                 
*SOURCE   3 ORGANISM_COMMON: AFRICAN PUFF ADDER;                                 
*SOURCE   4 ORGANISM_TAXID: 8692                                                 
*KEYWDS    BITIS ARIETANS, SNAKE VENOM, DISINTEGRIN, TOXIN                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    29                                                                    
*AUTHOR    R.J.CARBAJO, J.CALVETE, L.SANZ, A.PEREZ                               
*REVDAT   1   12-NOV-14 2MOP    0                                                


!################################################################# 

! BITISTATIN isoform "A"

! UNAMBIGUOUS NOE CONSTRAINTS

!#################################################################




! SER 1:

assign (residue 1 and name ha) (residue 2 and name hd#) 4.0 4.0 0.0 

assign (residue 1 and name hb#) (residue 2 and name hb#) 6.0 6.0 0.0 

assign (residue 1 and name hb#) (residue 2 and name hg#) 6.0 6.0 0.0 

assign (residue 1 and name hb#) (residue 2 and name hd#) 5.0 5.0 0.0 



! PRO 2:

assign (residue 2 and name ha) (residue 3 and name hb#) 6.0 6.0 0.0 

assign (residue 2 and name ha) (residue 3 and name hd#) 4.0 4.0 0.0 

assign (residue 2 and name hb#) (residue 3 and name hd#) 5.0 5.0 0.0 

assign (residue 2 and name hb#) (residue 4 and name hg#) 6.0 6.0 0.0 

assign (residue 2 and name hd#) (residue 4 and name hg#) 6.0 6.0 0.0 



! PRO 3:

assign (residue 3 and name ha) (residue 4 and name hn) 4.0 4.0 0.0 

assign (residue 3 and name ha) (residue 4 and name hb) 5.0 5.0 0.0 

assign (residue 3 and name ha) (residue 4 and name hg#) 5.0 5.0 0.0 

assign (residue 3 and name hb#) (residue 4 and name hn) 5.0 5.0 0.0 

assign (residue 3 and name hb#) (residue 4 and name hg#) 6.0 6.0 0.0 

assign (residue 3 and name hg#) (residue 4 and name hn) 5.0 5.0 0.0 

assign (residue 3 and name hd#) (residue 4 and name hg#) 6.0 6.0 0.0 

assign (residue 3 and name ha) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 3 and name hb#) (residue 5 and name hn) 5.0 5.0 0.0 



! VAL 4:

assign (residue 4 and name hn) (residue 4 and name ha) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 4 and name hb) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 4 and name hg#) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name ha) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name ha) (residue 5 and name hb#) 5.0 5.0 0.0 

assign (residue 4 and name hb) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 5 and name hb#) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 7 and name ha) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 7 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 7 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 7 and name hd2#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 8 and name hn) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 8 and name ha) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 18 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hn) (residue 19 and name ha#) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 20 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 20 and name ha) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 20 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 21 and name hb#) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 21 and name hg#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 21 and name hd#) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 24 and name hn) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 31 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 32 and name hb#) 6.0 6.0 0.0 



! CYS 5:

assign (residue 5 and name hn) (residue 5 and name ha) 5.0 5.0 0.0 

assign (residue 5 and name hn) (residue 5 and name hb#) 5.0 5.0 0.0 

assign (residue 5 and name hn) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 5 and name ha) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 5 and name hb#) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 5 and name hb#) (residue 7 and name hn) 6.0 6.0 0.0 

assign (residue 5 and name hn) (residue 19 and name hn) 6.0 6.0 0.0 

assign (residue 5 and name ha) (residue 19 and name hn) 6.0 6.0 0.0 



! GLY 6:

assign (residue 6 and name hn) (residue 6 and name ha#) 5.0 5.0 0.0 

assign (residue 6 and name hn) (residue 7 and name hn) 4.0 4.0 0.0 

assign (residue 6 and name ha#) (residue 7 and name hn) 5.0 5.0 0.0 



! ASN 7:

assign (residue 7 and name hn) (residue 7 and name ha) 5.0 5.0 0.0 

assign (residue 7 and name hn) (residue 7 and name hb#) 5.0 5.0 0.0 

assign (residue 7 and name hn) (residue 7 and name hd2#) 5.0 5.0 0.0 

assign (residue 7 and name hn) (residue 8 and name hn) 5.0 5.0 0.0 

assign (residue 7 and name ha) (residue 8 and name hn) 4.0 4.0 0.0 

assign (residue 7 and name hb#) (residue 8 and name hn) 4.0 4.0 0.0 

assign (residue 7 and name hb#) (residue 8 and name ha) 5.0 5.0 0.0 

assign (residue 7 and name hb#) (residue 9 and name hg2#) 5.0 5.0 0.0 

assign (residue 7 and name ha) (residue 10 and name hd#) 6.0 6.0 0.0 

assign (residue 7 and name hb#) (residue 10 and name hb#) 5.5 5.5 0.0 

assign (residue 7 and name hb#) (residue 10 and name hd#) 6.0 6.0 0.0 

assign (residue 7 and name hd2#) (residue 10 and name hd#) 6.0 6.0 0.0 

assign (residue 7 and name ha) (residue 21 and name hg#) 6.0 6.0 0.0 

assign (residue 7 and name ha) (residue 21 and name hd#) 6.0 6.0 0.0 



! LYS 8:

assign (residue 8 and name hn) (residue 8 and name ha) 5.0 5.0 0.0 

assign (residue 8 and name hn) (residue 8 and name hb#) 5.0 5.0 0.0 

assign (residue 8 and name hn) (residue 8 and name hg#) 5.0 5.0 0.0 

assign (residue 8 and name hn) (residue 9 and name hn) 5.0 5.0 0.0 

assign (residue 8 and name ha) (residue 9 and name hn) 4.0 4.0 0.0 

assign (residue 8 and name hb#) (residue 9 and name hn) 5.0 5.0 0.0 

assign (residue 8 and name hg#) (residue 9 and name hn) 5.0 5.0 0.0 



! ILE 9:

assign (residue 9 and name hn) (residue 9 and name ha) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hb) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hg1#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hg2#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hd#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name ha) (residue 10 and name hn) 3.0 3.0 0.0 

assign (residue 9 and name ha) (residue 10 and name ha) 5.0 5.0 0.0 

assign (residue 9 and name ha) (residue 10 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name ha) (residue 10 and name hd#) 5.0 5.0 0.0 

assign (residue 9 and name hb) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hb) (residue 10 and name hd#) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 10 and name ha) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 10 and name ha) 6.0 6.0 0.0 

assign (residue 9 and name ha) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name ha) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name hb#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hd#) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 9 and name hn) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name ha) (residue 12 and name hb#) 6.0 6.0 0.0 

assign (residue 9 and name ha) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hb) (residue 12 and name ha) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 12 and name hg#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name he2#) 6.0 6.0 0.0 

assign (residue 9 and name hd#) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hb) (residue 13 and name ha#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 13 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hg1#) (residue 15 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hd#) (residue 15 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hd#) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 21 and name hd#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 44 and name he#) 6.0 6.0 0.0 



! LEU 10:

assign (residue 10 and name hn) (residue 10 and name ha) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 10 and name hb#) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 10 and name hd#) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name ha) (residue 11 and name hn) 3.0 3.0 0.0 

assign (residue 10 and name ha) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 10 and name hb#) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hb#) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 10 and name hg) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hg) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hd#) (residue 11 and name hb#) 5.0 5.0 0.0 

assign (residue 10 and name hd#) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 12 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hd#) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 15 and name hb#) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLU 11:

assign (residue 11 and name hn) (residue 11 and name ha) 5.0 5.0 0.0 

assign (residue 11 and name hn) (residue 11 and name hb#) 5.0 5.0 0.0 

assign (residue 11 and name hn) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 11 and name hn) (residue 12 and name hn) 4.0 4.0 0.0 

assign (residue 11 and name ha) (residue 12 and name hn) 3.5 3.5 0.0 

assign (residue 11 and name ha) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 11 and name hb#) (residue 12 and name hn) 5.0 5.0 0.0 

assign (residue 11 and name hg#) (residue 12 and name hn) 5.0 5.0 0.0 

assign (residue 11 and name ha) (residue 13 and name hn) 6.0 6.0 0.0 

assign (residue 11 and name hg#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 11 and name hg#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLN 12:

assign (residue 12 and name hn) (residue 12 and name ha) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 12 and name hb#) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 13 and name hn) 4.0 4.0 0.0 

assign (residue 12 and name ha) (residue 13 and name hn) 3.5 3.5 0.0 

assign (residue 12 and name hb#) (residue 13 and name hn) 4.0 4.0 0.0 

assign (residue 12 and name hg#) (residue 13 and name hn) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 14 and name hn) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 12 and name hg#) (residue 17 and name hn) 5.0 5.0 0.0 

assign (residue 12 and name hg#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 12 and name hg#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLY 13:

assign (residue 13 and name hn) (residue 13 and name ha#) 5.0 5.0 0.0 

assign (residue 13 and name hn) (residue 14 and name hn) 4.0 4.0 0.0 

assign (residue 13 and name hn) (residue 14 and name ha) 6.0 6.0 0.0 

assign (residue 13 and name ha#) (residue 14 and name hn) 4.0 4.0 0.0 

assign (residue 13 and name hn) (residue 14 and name hg#) 6.0 6.0 0.0 

assign (residue 13 and name ha#) (residue 14 and name hg#) 6.0 6.0 0.0 

assign (residue 13 and name hn) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 13 and name hn) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 13 and name ha#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLU 14:

assign (residue 14 and name hn) (residue 14 and name ha) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 14 and name hb#) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 14 and name hg#) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 15 and name hn) 4.0 4.0 0.0 

assign (residue 14 and name ha) (residue 15 and name hn) 4.0 4.0 0.0 

assign (residue 14 and name hb#) (residue 15 and name hn) 5.0 5.0 0.0 

assign (residue 14 and name hg#) (residue 15 and name hn) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 16 and name hb#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 35 and name hb#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 35 and name hg#) 6.0 6.0 0.0 

assign (residue 14 and name hg#) (residue 35 and name hg#) 6.0 6.0 0.0 

assign (residue 14 and name hn) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name hg#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name hn) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 44 and name he#) 6.0 6.0 0.0 



! ASP 15:

assign (residue 15 and name hn) (residue 15 and name ha) 5.0 5.0 0.0 

assign (residue 15 and name hn) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 16 and name hn) 5.0 5.0 0.0 

assign (residue 15 and name hb#) (residue 16 and name hn) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 35 and name ha) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 35 and name hg#) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 35 and name hd#) 5.0 5.0 0.0 

assign (residue 15 and name hn) (residue 36 and name hb#) 5.0 5.0 0.0 

assign (residue 15 and name hn) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 36 and name hd#) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 15 and name hn) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 44 and name hn) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 44 and name he#) 6.0 6.0 0.0 



! CYS 16:

assign (residue 16 and name hn) (residue 16 and name ha) 5.0 5.0 0.0 

assign (residue 16 and name hn) (residue 16 and name hb#) 5.0 5.0 0.0 

assign (residue 16 and name hn) (residue 17 and name hn) 5.0 5.0 0.0 

assign (residue 16 and name ha) (residue 17 and name hn) 3.5 3.5 0.0 

assign (residue 16 and name hb#) (residue 17 and name hn) 5.0 5.0 0.0 

assign (residue 16 and name hb#) (residue 34 and name ha) 5.0 5.0 0.0 

assign (residue 16 and name hb#) (residue 34 and name hb#) 6.0 6.0 0.0 

assign (residue 16 and name hb#) (residue 35 and name hn) 6.0 6.0 0.0 

assign (residue 16 and name ha) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 16 and name hb#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 16 and name hb#) (residue 36 and name hd#) 5.0 5.0 0.0 



! ASP 17:

assign (residue 17 and name hn) (residue 17 and name ha) 5.0 5.0 0.0 

assign (residue 17 and name hn) (residue 17 and name hb#) 5.0 5.0 0.0 

assign (residue 17 and name hn) (residue 18 and name hn) 5.0 5.0 0.0 

assign (residue 17 and name ha) (residue 18 and name hn) 5.0 5.0 0.0 

assign (residue 17 and name hb#) (residue 18 and name hn) 5.0 5.0 0.0 



! CYS 18:

assign (residue 18 and name hn) (residue 18 and name ha) 5.0 5.0 0.0 

assign (residue 18 and name hn) (residue 18 and name hb#) 5.0 5.0 0.0 

assign (residue 18 and name hn) (residue 19 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name ha) (residue 19 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 19 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 21 and name ha) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 21 and name hb#) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 25 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 25 and name hg#) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 29 and name hb#) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 31 and name hn) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 31 and name ha) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 32 and name hn) 5.0 5.0 0.0 



! GLY 19:

assign (residue 19 and name hn) (residue 19 and name ha#) 5.0 5.0 0.0 

assign (residue 19 and name hn) (residue 20 and name hn) 5.0 5.0 0.0 

assign (residue 19 and name ha#) (residue 20 and name hn) 5.0 5.0 0.0 

assign (residue 19 and name ha#) (residue 20 and name ha) 5.0 5.0 0.0 



! SER 20:

assign (residue 20 and name hn) (residue 20 and name ha) 5.0 5.0 0.0 

assign (residue 20 and name hn) (residue 20 and name hb#) 5.0 5.0 0.0 

assign (residue 20 and name hn) (residue 21 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name hb#) (residue 21 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hb#) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hg#) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hd#) 4.0 4.0 0.0 

assign (residue 20 and name hb#) (residue 21 and name hd#) 5.0 5.0 0.0 

assign (residue 20 and name hn) (residue 23 and name hb#) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name hb#) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 31 and name hb#) 5.0 5.0 0.0 



! PRO 21:

assign (residue 21 and name ha) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hg#) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 22 and name ha) 4.0 4.0 0.0 

assign (residue 21 and name hb#) (residue 22 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 22 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 23 and name hn) 6.0 6.0 0.0 

assign (residue 21 and name hd#) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 23 and name hb#) 6.0 6.0 0.0 

assign (residue 21 and name ha) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 31 and name hb#) 5.0 5.0 0.0 



! ALA 22:

assign (residue 22 and name hn) (residue 22 and name ha) 5.0 5.0 0.0 

assign (residue 22 and name hn) (residue 22 and name hb#) 5.0 5.0 0.0 

assign (residue 22 and name hn) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 22 and name ha) (residue 23 and name hn) 4.0 4.0 0.0 

assign (residue 22 and name hb#) (residue 23 and name hn) 4.0 4.0 0.0 

assign (residue 22 and name ha) (residue 23 and name ha) 6.0 6.0 0.0 

assign (residue 22 and name hb#) (residue 23 and name hb#) 5.0 5.0 0.0 

assign (residue 22 and name hb#) (residue 23 and name hd2#) 5.0 5.0 0.0 



! ASN 23:

assign (residue 23 and name hn) (residue 23 and name ha) 5.0 5.0 0.0 

assign (residue 23 and name hn) (residue 23 and name hb#) 5.0 5.0 0.0 

assign (residue 23 and name hn) (residue 23 and name hd2#) 5.0 5.0 0.0 

assign (residue 23 and name hn) (residue 24 and name hn) 5.0 5.0 0.0 

assign (residue 23 and name ha) (residue 24 and name hn) 5.0 5.0 0.0 

assign (residue 23 and name hb#) (residue 24 and name hn) 5.0 5.0 0.0 

assign (residue 23 and name hd2#) (residue 27 and name hg#) 6.0 6.0 0.0 

assign (residue 23 and name hd2) (residue 27 and name hd#) 5.0 5.0 0.0 



! CYS 24:

assign (residue 24 and name hn) (residue 24 and name ha) 5.0 5.0 0.0 

assign (residue 24 and name hn) (residue 24 and name hb#) 5.0 5.0 0.0 

assign (residue 24 and name hn) (residue 25 and name hn) 5.0 5.0 0.0 

assign (residue 24 and name ha) (residue 25 and name hn) 4.0 4.0 0.0 

assign (residue 24 and name hb#) (residue 25 and name hn) 5.0 5.0 0.0 



! GLN 25:

assign (residue 25 and name hn) (residue 25 and name ha) 5.0 5.0 0.0 

assign (residue 25 and name hn) (residue 25 and name hb#) 5.0 5.0 0.0 

assign (residue 25 and name hn) (residue 25 and name hg#) 5.0 5.0 0.0 

assign (residue 25 and name hn) (residue 26 and name hn) 5.0 5.0 0.0 

assign (residue 25 and name ha) (residue 26 and name hn) 5.0 5.0 0.0 

assign (residue 25 and name hb#) (residue 26 and name hn) 5.0 5.0 0.0 

assign (residue 25 and name hg#) (residue 26 and name hn) 5.0 5.0 0.0 



! ASP 26:

assign (residue 26 and name hn) (residue 26 and name ha) 5.0 5.0 0.0 

assign (residue 26 and name hn) (residue 26 and name hb#) 5.0 5.0 0.0 

assign (residue 26 and name hn) (residue 27 and name hn) 5.0 5.0 0.0 

assign (residue 26 and name ha) (residue 27 and name hn) 5.0 5.0 0.0 

assign (residue 26 and name hb#) (residue 27 and name hn) 5.0 5.0 0.0 



! ARG 27:

assign (residue 27 and name hn) (residue 27 and name ha) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 27 and name hb#) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 27 and name hg#) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 27 and name hd#) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name ha) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name hb#) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name hg#) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name ha) (residue 29 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name hg#) (residue 50 and name ha) 6.0 6.0 0.0 



! CYS 28:

assign (residue 28 and name hn) (residue 28 and name ha) 5.0 5.0 0.0 

assign (residue 28 and name hn) (residue 28 and name hb#) 5.0 5.0 0.0 

assign (residue 28 and name hn) (residue 29 and name hn) 5.0 5.0 0.0 

assign (residue 28 and name ha) (residue 29 and name hn) 4.0 4.0 0.0 

assign (residue 28 and name hb#) (residue 29 and name hn) 5.0 5.0 0.0 

assign (residue 28 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 28 and name hn) (residue 37 and name hg2#) 6.0 6.0 0.0 

assign (residue 28 and name ha) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 28 and name hb#) (residue 51 and name ha) 5.0 5.0 0.0 

assign (residue 28 and name hb#) (residue 51 and name hb#) 5.0 5.0 0.0 



! CYS 29:

assign (residue 29 and name hn) (residue 29 and name ha) 5.0 5.0 0.0 

assign (residue 29 and name hn) (residue 29 and name hb#) 5.0 5.0 0.0 

assign (residue 29 and name ha) (residue 30 and name hn) 4.0 4.0 0.0 

assign (residue 29 and name ha) (residue 30 and name hb#) 5.0 5.0 0.0 

assign (residue 29 and name ha) (residue 30 and name hd2#) 5.0 5.0 0.0 

assign (residue 29 and name hb#) (residue 30 and name hn) 5.0 5.0 0.0 

assign (residue 29 and name hb#) (residue 31 and name hn) 6.0 6.0 0.0 

assign (residue 29 and name hb#) (residue 31 and name hb#) 6.0 6.0 0.0 

assign (residue 29 and name ha) (residue 36 and name hd#) 5.0 5.0 0.0 

assign (residue 29 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 29 and name ha) (residue 37 and name hn) 5.0 5.0 0.0 

assign (residue 29 and name ha) (residue 37 and name hg2#) 4.0 4.0 0.0 

assign (residue 29 and name hn) (residue 37 and name hg2#) 6.0 6.0 0.0 

assign (residue 29 and name hb#) (residue 37 and name hg2#) 5.0 5.0 0.0 



! ASN 30:

assign (residue 30 and name hn) (residue 30 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 30 and name hb#) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 30 and name hd2#) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 31 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 31 and name hb#) 6.0 6.0 0.0 

assign (residue 30 and name ha) (residue 31 and name hn) 4.0 4.0 0.0 

assign (residue 30 and name ha) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 31 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hd2#) (residue 31 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name ha) (residue 32 and name hn) 3.0 3.0 0.0 

assign (residue 30 and name ha) (residue 32 and name hb#) 6.0 6.0 0.0 

assign (residue 30 and name hb#) (residue 32 and name hb#) 6.0 6.0 0.0 

assign (residue 30 and name hd2#) (residue 32 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name hd2#) (residue 32 and name hb#) 4.0 4.0 0.0 

assign (residue 30 and name hn) (residue 33 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 33 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name hb#) (residue 33 and name hg2#) 5.0 5.0 0.0 

assign (residue 30 and name hd2#) (residue 33 and name hg2#) 4.0 4.0 0.0 

assign (residue 30 and name hn) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 35 and name hn) 4.0 4.0 0.0 

assign (residue 30 and name hd2#) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 36 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 30 and name hn) (residue 37 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name hb#) (residue 37 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 30 and name ha) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 37 and name hg2#) 4.0 4.0 0.0 

assign (residue 30 and name hd2#) (residue 37 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hd2#) (residue 37 and name hg2#) 5.0 5.0 0.0 



! ALA 31:

assign (residue 31 and name hn) (residue 31 and name ha) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 32 and name hn) 4.0 4.0 0.0 

assign (residue 31 and name hn) (residue 32 and name hb#) 5.0 5.0 0.0 

assign (residue 31 and name ha) (residue 32 and name hn) 4.0 4.0 0.0 

assign (residue 31 and name hb#) (residue 32 and name hn) 4.0 4.0 0.0 

assign (residue 31 and name hb#) (residue 32 and name ha) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 33 and name hn) 5.0 5.0 0.0 

assign (residue 31 and name ha) (residue 33 and name hn) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 33 and name hg2#) 6.0 6.0 0.0 

assign (residue 31 and name hb#) (residue 33 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name hn) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name ha) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name hb#) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name hn) (residue 37 and name hg2#) 5.0 5.0 0.0 



! ALA 32:

assign (residue 32 and name hn) (residue 32 and name ha) 5.0 5.0 0.0 

assign (residue 32 and name hn) (residue 32 and name hb#) 5.0 5.0 0.0 

assign (residue 32 and name hn) (residue 33 and name hn) 4.0 4.0 0.0 

assign (residue 32 and name hn) (residue 33 and name hg2#) 5.0 5.0 0.0 

assign (residue 32 and name ha) (residue 33 and name hn) 4.0 4.0 0.0 

assign (residue 32 and name hb#) (residue 33 and name hn) 4.0 4.0 0.0 

assign (residue 32 and name hb#) (residue 33 and name ha) 5.0 5.0 0.0 

assign (residue 32 and name hb#) (residue 33 and name hg2#) 4.0 4.0 0.0 

assign (residue 32 and name hn) (residue 34 and name hn) 5.0 5.0 0.0 

assign (residue 32 and name hb#) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 32 and name hn) (residue 35 and name hn) 6.0 6.0 0.0 



! THR 33:

assign (residue 33 and name hn) (residue 33 and name ha) 5.0 5.0 0.0 

assign (residue 33 and name hn) (residue 33 and name hb) 5.0 5.0 0.0 

assign (residue 33 and name hn) (residue 33 and name hg2#) 5.0 5.0 0.0 

assign (residue 33 and name hn) (residue 34 and name hn) 4.0 4.0 0.0 

assign (residue 33 and name hn) (residue 34 and name ha) 5.0 5.0 0.0 

assign (residue 33 and name ha) (residue 34 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hb) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 33 and name hg2#) (residue 34 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hg2#) (residue 34 and name hb#) 6.0 6.0 0.0 

assign (residue 33 and name ha) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hb) (residue 35 and name hn) 4.0 4.0 0.0 

assign (residue 33 and name hb) (residue 35 and name hb#) 5.0 5.0 0.0  

assign (residue 33 and name hg2#) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hg2#) (residue 35 and name hz#) 6.0 6.0 0.0 



! CYS 34:

assign (residue 34 and name hn) (residue 34 and name ha) 5.0 5.0 0.0 

assign (residue 34 and name hn) (residue 34 and name hb#) 5.0 5.0 0.0 

assign (residue 34 and name hn) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 34 and name ha) (residue 35 and name hn) 4.0 4.0 0.0 

assign (residue 34 and name hb#) (residue 35 and name hn) 5.0 5.0 0.0 



! LYS 35:

assign (residue 35 and name hn) (residue 35 and name ha) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name hb#) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name hg#) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name hd#) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name he#) 6.0 6.0 0.0 

assign (residue 35 and name hn) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 35 and name ha) (residue 36 and name hn) 4.0 4.0 0.0 

assign (residue 35 and name ha) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 35 and name hb#) (residue 36 and name hn) 4.0 4.0 0.0 

assign (residue 35 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 35 and name hg#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name hd#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name he#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 37 and name hg2#) 6.0 6.0 0.0 



! LEU 36:

assign (residue 36 and name hn) (residue 36 and name ha) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 36 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 36 and name hg) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 36 and name hd#) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 37 and name hn) 5.0 5.0 0.0  

assign (residue 36 and name ha) (residue 37 and name hn) 4.0 4.0 0.0 

assign (residue 36 and name hb#) (residue 37 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hg) (residue 37 and name hn) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 37 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 36 and name hb#) (residue 40 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hg) (residue 40 and name hb#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 40 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 40 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 41 and name hn) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 41 and name ha) 4.0 4.0 0.0 

assign (residue 36 and name hd#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 42 and name ha) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 42 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 43 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 43 and name ha) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 43 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 44 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 51 and name hb#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 53 and name he#) 6.0 6.0 0.0 



! THR 37:

assign (residue 37 and name hn) (residue 37 and name ha) 5.0 5.0 0.0 

assign (residue 37 and name hn) (residue 37 and name hb) 5.0 5.0 0.0 

assign (residue 37 and name hn) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 37 and name ha) (residue 38 and name hg#) 6.0 6.0 0.0 

assign (residue 37 and name ha) (residue 38 and name hd#) 4.0 4.0 0.0 

assign (residue 37 and name hb) (residue 38 and name hb#) 6.0 6.0 0.0 

assign (residue 37 and name hb) (residue 38 and name hg#) 6.0 6.0 0.0 

assign (residue 37 and name hb) (residue 38 and name hd#) 5.0 5.0 0.0 

assign (residue 37 and name hg2#) (residue 38 and name hb#) 5.0 5.0 0.0 

assign (residue 37 and name hg2#) (residue 38 and name hg#) 5.0 5.0 0.0 

assign (residue 37 and name hg2#) (residue 38 and name hd#) 4.0 4.0 0.0 

assign (residue 37 and name hg2#) (residue 40 and name hb#) 5.0 5.0 0.0 



! PRO 38:

assign (residue 38 and name ha) (residue 39 and name hn) 2.2 2.2 0.0 

assign (residue 38 and name ha) (residue 39 and name ha#) 5.0 5.0 0.0 

assign (residue 38 and name hb#) (residue 39 and name hn) 4.0 4.0 0.0 

assign (residue 38 and name hb#) (residue 39 and name ha#) 5.0 5.0 0.0 

assign (residue 38 and name hg#) (residue 39 and name hn) 5.0 5.0 0.0 

assign (residue 38 and name hd#) (residue 39 and name hn) 6.0 6.0 0.0 



! GLY 39:

assign (residue 39 and name hn) (residue 39 and name ha#) 5.0 5.0 0.0 

assign (residue 39 and name hn) (residue 40 and name hn) 4.0 4.0 0.0 

assign (residue 39 and name hn) (residue 40 and name ha) 6.0 6.0 0.0 

assign (residue 39 and name ha#) (residue 40 and name hn) 5.0 5.0 0.0 

assign (residue 39 and name ha#) (residue 52 and name he) 6.0 6.0 0.0 



! SER 40:

assign (residue 40 and name hn) (residue 40 and name ha) 5.0 5.0 0.0 

assign (residue 40 and name hn) (residue 40 and name hb#) 5.0 5.0 0.0 

assign (residue 40 and name hn) (residue 41 and name hn) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 41 and name hn) 4.0 4.0 0.0 

assign (residue 40 and name ha) (residue 41 and name hb#) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 41 and name hg#) 5.0 5.0 0.0 

assign (residue 40 and name hb#) (residue 41 and name hn) 5.0 5.0 0.0 

assign (residue 40 and name hb#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 40 and name ha) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 40 and name ha) (residue 51 and name hb#) 5.0 5.0 0.0 

assign (residue 40 and name hb#) (residue 51 and name hb#) 5.0 5.0 0.0 

assign (residue 40 and name ha) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 52 and name he) 6.0 6.0 0.0 



! GLN 41:

assign (residue 41 and name hn) (residue 41 and name ha) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 41 and name hb#) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 41 and name hg#) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 41 and name he2#) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 42 and name hn) 4.0 4.0 0.0 

assign (residue 41 and name ha) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hb#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hb#) (residue 47 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 51 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 51 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 52 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name ha) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name ha) 4.5 4.5 0.0 

assign (residue 41 and name hb#) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name hb#) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name he) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 52 and name ha) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name ha) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name ha) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name ha) (residue 53 and name hd#) 6.0 6.0 0.0  

assign (residue 41 and name ha) (residue 53 and name he#) 6.0 6.0 0.0  

assign (residue 41 and name hb#) (residue 53 and name hn) 4.0 4.0 0.0 

assign (residue 41 and name hb#) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name hb#) (residue 53 and name he#) 4.5 4.5 0.0 

assign (residue 41 and name hg#) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 53 and name hd#) 5.5 5.5 0.0 

assign (residue 41 and name hg#) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name ha) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name he#) 6.0 6.0 0.0 



! CYS 42:

assign (residue 42 and name hn) (residue 42 and name ha) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 42 and name hb#) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 43 and name hn) 5.0 5.0 0.0 

assign (residue 42 and name ha) (residue 43 and name hn) 4.0 4.0 0.0 

assign (residue 42 and name hb#) (residue 43 and name hn) 5.0 5.0 0.0 

assign (residue 42 and name ha) (residue 44 and name hn) 4.0 4.0 0.0 

assign (residue 42 and name ha) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 42 and name hn) (residue 51 and name hn) 6.0 6.0 0.0 

assign (residue 42 and name hn) (residue 51 and name hb#) 6.0 6.0 0.0 

assign (residue 42 and name hn) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 42 and name ha) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 42 and name ha) (residue 53 and name he#) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 42 and name hb#) (residue 77 and name hn) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 77 and name ha) 5.0 5.0 0.0 



! ASN 43:

assign (residue 43 and name hn) (residue 43 and name ha) 5.0 5.0 0.0 

assign (residue 43 and name hn) (residue 43 and name hb#) 5.0 5.0 0.0 

assign (residue 43 and name hn) (residue 44 and name hn) 3.0 3.0 0.0 

assign (residue 43 and name hn) (residue 44 and name hb#) 6.0 6.0 0.0 

assign (residue 43 and name hn) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name ha) (residue 44 and name hn) 4.0 4.0 0.0 

assign (residue 43 and name ha) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name hb#) (residue 44 and name hn) 5.0 5.0 0.0 

assign (residue 43 and name hb#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name hn) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name hn) (residue 53 and name he#) 6.0 6.0 0.0 



! TYR 44:

assign (residue 44 and name hn) (residue 44 and name ha) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 44 and name hb#) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 44 and name hd#) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 44 and name hn) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name ha) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name hb#) (residue 45 and name hn) 4.0 4.0 0.0 

assign (residue 44 and name hd#) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name hd#) (residue 45 and name ha#) 5.0 5.0 0.0 

assign (residue 44 and name he#) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name he#) (residue 45 and name ha#) 6.0 6.0 0.0 

assign (residue 44 and name hd#) (residue 46 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name he#) (residue 46 and name hn) 6.0 6.0 0.0 

assign (residue 44 and name hn) (residue 48 and name hb#) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 77 and name hb#) 5.0 5.0 0.0 



! GLY 45:

assign (residue 45 and name hn) (residue 45 and name ha#) 5.0 5.0 0.0 

assign (residue 45 and name hn) (residue 46 and name hn) 5.0 5.0 0.0 

assign (residue 45 and name ha#) (residue 46 and name hn) 4.0 4.0 0.0 

assign (residue 45 and name ha#) (residue 46 and name hg#) 5.0 5.0 0.0 

assign (residue 45 and name hn) (residue 47 and name ha) 6.0 6.0 0.0 

assign (residue 45 and name ha#) (residue 47 and name hn) 5.0 5.0 0.0 

assign (residue 45 and name ha#) (residue 48 and name hn) 6.0 6.0 0.0 

assign (residue 45 and name ha#) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 45 and name ha#) (residue 77 and name hb#) 6.0 6.0 0.0 



! GLU 46:

assign (residue 46 and name hn) (residue 46 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 46 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 46 and name hg#) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 47 and name hn) 4.0 4.0 0.0 

assign (residue 46 and name ha) (residue 47 and name hn) 4.0 4.0 0.0 

assign (residue 46 and name hb#) (residue 47 and name hn) 4.0 4.0 0.0 

assign (residue 46 and name hg#) (residue 47 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 48 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name ha) (residue 48 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 48 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hg#) (residue 48 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hn) (residue 60 and name hb#) 6.0 6.0 0.0 

assign (residue 46 and name ha) (residue 60 and name hb#) 6.0 6.0 0.0 

assign (residue 46 and name hb#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 60 and name hb#) 4.0 4.0 0.0 

assign (residue 46 and name hg#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hg#) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 78 and name ha) 4.0 4.0 0.0 

assign (residue 46 and name hb#) (residue 78 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 79 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name ha) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hb#) (residue 79 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 46 and name hb#) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name hg#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hg#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 46 and name hg#) (residue 79 and name hb#) 6.0 6.0 0.0 



! CYS 47:

assign (residue 47 and name hn) (residue 47 and name ha) 5.0 5.0 0.0 

assign (residue 47 and name hn) (residue 47 and name hb#) 5.0 5.0 0.0 

assign (residue 47 and name hn) (residue 48 and name hn) 4.0 4.0 0.0 

assign (residue 47 and name hn) (residue 48 and name ha) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 48 and name hn) 4.0 4.0 0.0 

assign (residue 47 and name hb#) (residue 48 and name hn) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 48 and name ha) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 54 and name hb#) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 54 and name hg#) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 54 and name hd#) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name he#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 58 and name hg2#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 72 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 77 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 77 and name ha) 4.0 4.0 0.0 

assign (residue 47 and name hb#) (residue 77 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 78 and name ha) 4.0 4.0 0.0 

assign (residue 47 and name hn) (residue 78 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 78 and name ha) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 79 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 79 and name ha) 6.0 6.0 0.0 



! CYS 48:

assign (residue 48 and name hn) (residue 48 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 48 and name hb#) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 49 and name hn) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 49 and name hn) 4.0 4.0 0.0 

assign (residue 48 and name ha) (residue 49 and name hb#) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 49 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 50 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 53 and name ha) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 53 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 53 and name hd#) 4.0 4.0 0.0 

assign (residue 48 and name ha) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hd#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name he#) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 54 and name hn) 4.0 4.0 0.0 

assign (residue 48 and name ha) (residue 54 and name ha) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 77 and name ha) 5.0 5.0 0.0 



! ASP 49:

assign (residue 49 and name hn) (residue 49 and name ha) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 49 and name hb#) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 50 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 50 and name ha) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 50 and name hb#) 6.0 6.0 0.0 

assign (residue 49 and name ha) (residue 50 and name hn) 3.0 3.0 0.0 

assign (residue 49 and name ha) (residue 50 and name ha) 4.5 4.5 0.0 

assign (residue 49 and name ha) (residue 50 and name hb#) 5.0 5.0 0.0 

assign (residue 49 and name ha) (residue 50 and name hg#) 6.0 6.0 0.0 

assign (residue 49 and name hb#) (residue 50 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 50 and name ha) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name ha) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 52 and name hn) 4.0 4.0 0.0 

assign (residue 49 and name hn) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 49 and name ha) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 53 and name ha) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 54 and name ha) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hg#) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hd#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name he#) 6.0 6.0 0.0 

assign (residue 49 and name ha) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name ha) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hb#) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hg#) 4.0 4.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hd#) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name he#) 4.0 4.0 0.0 

assign (residue 49 and name hb#) (residue 55 and name hn) 6.0 6.0 0.0 



! GLN 50:

assign (residue 50 and name hn) (residue 50 and name ha) 5.0 5.0 0.0 

assign (residue 50 and name hn) (residue 50 and name hb#) 5.0 5.0 0.0 

assign (residue 50 and name hn) (residue 50 and name hg#) 5.0 5.0 0.0 

assign (residue 50 and name hn) (residue 51 and name hn) 4.0 4.0 0.0 

assign (residue 50 and name hn) (residue 51 and name ha) 6.0 6.0 0.0 

assign (residue 50 and name ha) (residue 51 and name hn) 4.0 4.0 0.0 

assign (residue 50 and name hb#) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 50 and name hg#) (residue 51 and name hn) 6.0 6.0 0.0 

assign (residue 50 and name hn) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 50 and name ha) (residue 52 and name hn) 5.5 5.5 0.0 

assign (residue 50 and name hb#) (residue 52 and name hn) 6.0 6.0 0.0 

assign (residue 50 and name hn) (residue 54 and name he#) 6.0 6.0 0.0 



! CYS 51:

assign (residue 51 and name ha) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 51 and name hn) (residue 51 and name hb#) 5.0 5.0 0.0 

assign (residue 51 and name hn) (residue 52 and name hn) 4.0 4.0 0.0 

assign (residue 51 and name hn) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 51 and name ha) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 51 and name hb#) (residue 52 and name hn) 6.0 6.0 0.0 

assign (residue 51 and name hb#) (residue 52 and name hg#) 6.0 6.0 0.0 



! ARG 52:

assign (residue 52 and name hn) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 52 and name hb#) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 52 and name hg#) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 52 and name hd#) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name ha) (residue 53 and name hn) 3.0 3.0 0.0 

assign (residue 52 and name ha) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 52 and name ha) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 52 and name ha) (residue 53 and name he#) 6.0 6.0 0.0 

assign (residue 52 and name hb#) (residue 53 and name hn) 4.0 4.0 0.0 

assign (residue 52 and name hb#) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 52 and name hg#) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name hd#) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name he) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 54 and name hg#) 6.0 6.0 0.0 



! PHE 53:

assign (residue 53 and name hn) (residue 53 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name hn) (residue 53 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name hn) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 53 and name hn) (residue 53 and name he#) 6.0 6.0 0.0 

assign (residue 53 and name hn) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name ha) (residue 54 and name hn) 3.0 3.0 0.0 

assign (residue 53 and name ha) (residue 54 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name ha) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 53 and name ha) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 54 and name hn) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 54 and name hn) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 54 and name hn) 5.5 5.5 0.0 

assign (residue 53 and name ha) (residue 55 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 56 and name ha) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 56 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 56 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 74 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 74 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hd#) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 75 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 75 and name hg#) 6.0 6.0 0.0 

assign (residue 53 and name hn) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name ha) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 76 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 76 and name hb#) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 76 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name he#) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name ha) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 77 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 77 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 77 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 77 and name hn) 4.0 4.0 0.0 

assign (residue 53 and name he#) (residue 77 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name he#) (residue 77 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name hb#) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 78 and name hn) 5.0 5.0 0.0 



! LYS 54:

assign (residue 54 and name hn) (residue 54 and name ha) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 54 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 54 and name hg#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 54 and name hd#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 55 and name hn) 5.0 5.0 0.0 

assign (residue 54 and name ha) (residue 55 and name hn) 2.2 2.2 0.0 

assign (residue 54 and name ha) (residue 55 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 55 and name hn) 4.0 4.0 0.0 

assign (residue 54 and name hg#) (residue 55 and name hn) 5.0 5.0 0.0 

assign (residue 54 and name hd#) (residue 55 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name he#) (residue 55 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hn) (residue 58 and name hb) 6.0 6.0 0.0 

assign (residue 54 and name hn) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hb#) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 54 and name hg#) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hg#) (residue 58 and name hb) 6.0 6.0 0.0 

assign (residue 54 and name hg#) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name hd#) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hd#) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 54 and name hd#) (residue 58 and name hg2#) 4.0 4.0 0.0 

assign (residue 54 and name he#) (residue 58 and name hg2#) 4.0 4.0 0.0 

assign (residue 54 and name hz#) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hb#) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 



! LYS 55:

assign (residue 55 and name hn) (residue 55 and name ha) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name hb#) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name hg#) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name hd#) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name he#) 6.0 6.0 0.0 

assign (residue 55 and name hn) (residue 56 and name hn) 4.5 4.5 0.0 

assign (residue 55 and name hn) (residue 56 and name hb#) 6.0 6.0 0.0 

assign (residue 55 and name ha) (residue 56 and name hn) 2.2 2.2 0.0 

assign (residue 55 and name ha) (residue 56 and name hb#) 4.0 4.0 0.0 

assign (residue 55 and name hb#) (residue 56 and name hn) 4.0 4.0 0.0 

assign (residue 55 and name hg#) (residue 56 and name hn) 4.0 4.0 0.0 

assign (residue 55 and name he#) (residue 56 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name he#) (residue 56 and name hb#) 6.0 6.0 0.0 

assign (residue 55 and name hn) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 55 and name ha) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 55 and name hb#) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name hb#) (residue 58 and name hb) 6.0 6.0 0.0 

assign (residue 55 and name hb#) (residue 58 and name hg2#) 6.0 6.0 0.0 

assign (residue 55 and name hg#) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name ha) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name ha) (residue 74 and name ha#) 4.0 4.0 0.0 



! ALA 56:

assign (residue 56 and name hn) (residue 56 and name ha) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 56 and name hb#) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 57 and name hn) 4.5 4.5 0.0 

assign (residue 56 and name hn) (residue 57 and name ha#) 6.0 6.0 0.0 

assign (residue 56 and name ha) (residue 57 and name hn) 2.5 2.5 0.0 

assign (residue 56 and name ha) (residue 57 and name ha#) 4.0 4.0 0.0 

assign (residue 56 and name hb#) (residue 57 and name hn) 4.0 4.0 0.0 

assign (residue 56 and name hb#) (residue 57 and name ha#) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name ha) (residue 58 and name hn) 4.0 4.0 0.0 

assign (residue 56 and name hb#) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 71 and name hb#) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 56 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 72 and name hb#) 6.0 6.0 0.0 

assign (residue 56 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 56 and name ha) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name ha) (residue 73 and name ha) 4.0 4.0 0.0 

assign (residue 56 and name ha) (residue 73 and name hg2#) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 74 and name ha#) 4.0 4.0 0.0 

assign (residue 56 and name ha) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name ha) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 74 and name ha#) 4.0 4.0 0.0 

assign (residue 56 and name hn) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 75 and name he#) 6.0 6.0 0.0 

assign (residue 56 and name hn) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 76 and name hn) 6.0 6.0 0.0 



! GLY 57:

assign (residue 57 and name hn) (residue 57 and name ha#) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 58 and name hn) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 58 and name hn) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 58 and name hg2#) 6.0 6.0 0.0 

assign (residue 57 and name ha#) (residue 59 and name hn) 6.0 6.0 0.0 

assign (residue 57 and name ha#) (residue 59 and name hg#) 6.0 6.0 0.0 

assign (residue 57 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name hb#) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 72 and name ha) 6.0 6.0 0.0  ! 800 

assign (residue 57 and name hn) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 57 and name ha#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 57 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 57 and name hn) (residue 79 and name ha) 6.0 6.0 0.0 



! THR 58:

assign (residue 58 and name hn) (residue 58 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 59 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 59 and name hg#) 6.0 6.0 0.0 

assign (residue 58 and name ha) (residue 59 and name hn) 2.2 2.2 0.0 

assign (residue 58 and name ha) (residue 59 and name hb) 5.0 5.0 0.0 

assign (residue 58 and name ha) (residue 59 and name hg#) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 59 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 59 and name hg#) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 59 and name hn) 4.0 4.0 0.0 

assign (residue 58 and name hg2#) (residue 59 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 59 and name hg#) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 60 and name hn) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 60 and name hb#) 6.0 6.0 0.0 

assign (residue 58 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 58 and name ha) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 58 and name ha) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 58 and name hb) (residue 71 and name hb#) 6.0 6.0 0.0 

assign (residue 58 and name hb) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 58 and name hn) (residue 72 and name ha) 6.0 6.0 0.0 

assign (residue 58 and name hn) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 58 and name ha) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 58 and name hb) (residue 72 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 72 and name hb#) 4.0 4.0 0.0 

assign (residue 58 and name hg2#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 58 and name hb) (residue 73 and name hn) 6.0 6.0 0.0 



! VAL 59:

assign (residue 59 and name hn) (residue 59 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 59 and name hb) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 59 and name hg#) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 60 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 60 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 60 and name hn) 3.0 3.0 0.0 

assign (residue 59 and name ha) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name ha) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hb) (residue 60 and name hn) 4.5 4.5 0.0 

assign (residue 59 and name hg#) (residue 60 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 61 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 61 and name hn) 4.0 4.0 0.0 

assign (residue 59 and name hb) (residue 61 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 61 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 61 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name hb) (residue 62 and name hg2#) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name hg1#) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name hd#) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 63 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hn) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 69 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 69 and name hb#) 4.0 4.0 0.0 

assign (residue 59 and name hg#) (residue 70 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 70 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 71 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name hn) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 59 and name hn) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 59 and name ha) (residue 71 and name ha) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 71 and name hb#) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 71 and name he#) 4.0 4.0 0.0 

assign (residue 59 and name hb) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hb) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 59 and name hb) (residue 71 and name he#) 4.0 4.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hb) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 72 and name hn) 5.0 5.0 0.0 



! CYS 60:

assign (residue 60 and name hn) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 61 and name hn) 4.0 4.0 0.0 

assign (residue 60 and name hn) (residue 61 and name ha) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 61 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name ha) (residue 61 and name hn) 4.0 4.0 0.0 

assign (residue 60 and name ha) (residue 61 and name ha) 6.0 6.0 0.0 

assign (residue 60 and name ha) (residue 61 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 61 and name hn) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 70 and name hn) 5.5 5.5 0.0 

assign (residue 60 and name hn) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name hn) (residue 71 and name hn) 6.0 6.0 0.0 

assign (residue 60 and name hn) (residue 71 and name ha) 4.0 4.0 0.0 

assign (residue 60 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 60 and name hn) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 60 and name ha) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 60 and name ha) (residue 79 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 60 and name hb#) (residue 79 and name hb#) 5.0 5.0 0.0 



! ARG 61:

assign (residue 61 and name hn) (residue 61 and name ha) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 61 and name hb#) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 61 and name hg#) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 62 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name ha) (residue 62 and name hn) 3.5 3.5 0.0 

assign (residue 61 and name ha) (residue 62 and name hg1#) 6.0 6.0 0.0 

assign (residue 61 and name ha) (residue 62 and name hg2#) 6.0 6.0 0.0 

assign (residue 61 and name ha) (residue 62 and name hd#) 6.0 6.0 0.0 

assign (residue 61 and name hb#)(residue 62 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name hg#) (residue 62 and name hn) 4.0 4.0 0.0 

assign (residue 61 and name he) (residue 62 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 62 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hn) (residue 69 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 69 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hn) (residue 70 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 70 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 70 and name hb#) 4.5 4.5 0.0 

assign (residue 61 and name hg#) (residue 70 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hg#) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 70 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 70 and name hb#) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 79 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 80 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 80 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 81 and name he3) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 61 and name hg#) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name hg#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name he3) 5.0 5.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name hz2) 6.0 6.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name hz3) 5.0 5.0 0.0 

assign (residue 61 and name he) (residue 81 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name ha) 5.0 5.0 0.0 

assign (residue 61 and name he) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name he1) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name hz2) 5.0 5.0 0.0 

assign (residue 61 and name he) (residue 81 and name hz3) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name ha) 4.0 4.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hd1) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name he1) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name he3) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hz2) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 82 and name hn) 6.0 6.0 0.0 



! ILE 62:

assign (residue 62 and name hn) (residue 62 and name ha) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hb) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hg1#) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hg2#) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hd#) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 63 and name hn) 4.0 4.0 0.0 

assign (residue 62 and name hn) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name ha) (residue 63 and name hn) 3.5 3.5 0.0 

assign (residue 62 and name ha) (residue 63 and name hb#) 4.0 4.0 0.0 

assign (residue 62 and name hb) (residue 63 and name hn) 4.0 4.0 0.0 

assign (residue 62 and name hg1#) (residue 63 and name hn) 5.0 5.0 0.0 

assign (residue 62 and name hg2#) (residue 63 and name hn) 4.0 4.0 0.0 

assign (residue 62 and name hg2#) (residue 63 and name ha) 5.0 5.0 0.0 

assign (residue 62 and name hg2#) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 63 and name hn) 5.0 5.0 0.0 

assign (residue 62 and name hd#) (residue 63 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 63 and name hb#) 6.0 6.0 0.0  191212

assign (residue 62 and name hg1#) (residue 64 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name hn) 5.0 5.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name hd#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name hd#) 6.0 6.0 0.0 

assign (residue 62 and name hg1#) (residue 65 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 65 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 65 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 66 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 66 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 66 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name ha) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 67 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 62 and name ha) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 62 and name ha) (residue 69 and name hb#) 5.0 5.0 0.0 

assign (residue 62 and name hd#) (residue 69 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 81 and name he3) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 81 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 81 and name he3) 6.0 6.0 0.0 



! ALA 63:

assign (residue 63 and name hn) (residue 63 and name ha) 5.0 5.0 0.0 

assign (residue 63 and name hn) (residue 63 and name hb#) 5.0 5.0 0.0 

assign (residue 63 and name hn) (residue 64 and name hn) 4.0 4.0 0.0 

assign (residue 63 and name ha) (residue 64 and name hn) 3.5 3.5 0.0 

assign (residue 63 and name hb#) (residue 64 and name hn) 4.0 4.0 0.0 

assign (residue 63 and name hb#) (residue 64 and name hd#) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 65 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 65 and name ha#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 66 and name hn) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 66 and name ha) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 66 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name ha) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 63 and name ha) (residue 67 and name he1) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hb#) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hd1) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name he1) 5.5 5.5 0.0 

assign (residue 63 and name hb#) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 63 and name hn) (residue 68 and name hn) 6.0 6.0 0.0 

assign (residue 63 and name hn) (residue 68 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name hn) (residue 68 and name hd2#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 68 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 68 and name hb#) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 68 and name hd2#) 5.0 5.0 0.0 

assign (residue 63 and name hn) (residue 69 and name ha) 4.0 4.0 0.0 

assign (residue 63 and name hn) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 69 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 81 and name he3) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 83 and name hd2) 6.0 6.0 0.0 



! ARG 64:

assign (residue 64 and name hn) (residue 64 and name ha) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 64 and name hb#) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 64 and name hg#) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 64 and name hd#) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 65 and name hn) 4.0 4.0 0.0 

assign (residue 64 and name hn) (residue 65 and name ha#) 6.0 6.0 0.0 

assign (residue 64 and name ha) (residue 65 and name hn) 3.5 3.5 0.0 

assign (residue 64 and name ha) (residue 65 and name ha#) 5.0 5.0 0.0 

assign (residue 64 and name hb#) (residue 65 and name hn) 4.0 4.0 0.0 

assign (residue 64 and name hg#) (residue 65 and name hn) 5.0 5.0 0.0 

assign (residue 64 and name hd#) (residue 65 and name hn) 5.0 5.0 0.0 

assign (residue 64 and name ha) (residue 66 and name hn) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 67 and name hb#) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 67 and name he1) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name ha) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hb#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 64 and name hb#) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 64 and name hb#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hg#) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 64 and name hg#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hd#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 68 and name hd2#) 6.0 6.0 0.0 



! GLY 65:

assign (residue 65 and name hn) (residue 65 and name ha#) 5.0 5.0 0.0 

assign (residue 65 and name hn) (residue 66 and name hn) 4.0 4.0 0.0 

assign (residue 65 and name ha#) (residue 66 and name ha) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 66 and name hb#) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 66 and name hn) 3.0 3.0 0.0 

assign (residue 65 and name hn) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hn) 5.0 5.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hz3) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hh2) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 68 and name hd2#) 6.0 6.0 0.0 



! ASP 66:

assign (residue 66 and name hn) (residue 66 and name ha) 5.0 5.0 0.0 

assign (residue 66 and name hn) (residue 66 and name hb#) 5.0 5.0 0.0 

assign (residue 66 and name hn) (residue 67 and name hn) 4.0 4.0 0.0 

assign (residue 66 and name hn) (residue 67 and name hb#) 6.0 6.0 0.0 

assign (residue 66 and name hn) (residue 67 and name hd1) 5.5 5.5 0.0 

assign (residue 66 and name hn) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 66 and name hn) (residue 67 and name he3) 5.0 5.0 0.0 

assign (residue 66 and name ha) (residue 67 and name hn) 3.5 3.5 0.0 

assign (residue 66 and name ha) (residue 67 and name hd1) 5.5 5.5 0.0 

assign (residue 66 and name hb#) (residue 67 and name hn) 5.0 5.0 0.0 

assign (residue 66 and name hb#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 66 and name hb#) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 66 and name ha) (residue 68 and name hn) 6.0 6.0 0.0 

assign (residue 66 and name hb#) (residue 68 and name hn) 6.0 6.0 0.0 



! TRP 67:

assign (residue 67 and name hn) (residue 67 and name ha) 5.0 5.0 0.0 

assign (residue 67 and name hn) (residue 67 and name hb#) 5.0 5.0 0.0 

assign (residue 67 and name hn) (residue 67 and name hd1) 5.0 5.0 0.0 

assign (residue 67 and name hn) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 67 and name hn) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 67 and name hn) (residue 68 and name hn) 4.0 4.0 0.0 

assign (residue 67 and name hn) (residue 68 and name hb#) 6.0 6.0 0.0 

assign (residue 67 and name ha) (residue 68 and name hn) 3.5 3.5 0.0 

assign (residue 67 and name hb#) (residue 68 and name hn) 4.0 4.0 0.0 

assign (residue 67 and name hd1) (residue 68 and name hn) 5.0 5.0 0.0 

assign (residue 67 and name hd1) (residue 68 and name hb#) 5.5 5.5 0.0 

assign (residue 67 and name he1) (residue 68 and name hd2#) 5.5 5.5 0.0 

assign (residue 67 and name he3) (residue 68 and name hn) 5.5 5.5 0.0 

assign (residue 67 and name hd1) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 67 and name he1) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 67 and name hb#) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 67 and name hd1) (residue 83 and name ha) 6.0 6.0 0.0 

assign (residue 67 and name hd1) (residue 83 and name hb#) 6.0 6.0 0.0 



! ASN 68:

assign (residue 68 and name hn) (residue 68 and name ha) 5.0 5.0 0.0 

assign (residue 68 and name hn) (residue 68 and name hb#) 5.0 5.0 0.0 

assign (residue 68 and name hn) (residue 68 and name hd2#) 5.0 5.0 0.0 

assign (residue 68 and name hn) (residue 69 and name hn) 4.0 4.0 0.0 

assign (residue 68 and name ha) (residue 69 and name hn) 4.0 4.0 0.0 

assign (residue 68 and name hb#) (residue 69 and name hn) 5.0 5.0 0.0 

assign (residue 68 and name ha) (residue 70 and name hn) 6.0 6.0 0.0 

assign (residue 68 and name ha) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 68 and name ha) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 68 and name hb#) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 68 and name hn) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 68 and name hb#) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 68 and name ha) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 68 and name hb#) (residue 83 and name he1) 6.0 6.0 0.0 

assign (residue 68 and name hd2#) (residue 83 and name hn) 6.0 6.0 0.0 



! ASP 69:

assign (residue 69 and name hn) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 69 and name hn) (residue 69 and name hb#) 5.0 5.0 0.0 

assign (residue 69 and name ha) (residue 70 and name hn) 4.0 4.0 0.0 

assign (residue 69 and name ha) (residue 70 and name hb#) 5.0 5.0 0.0 

assign (residue 69 and name hb#) (residue 70 and name hn) 4.0 4.0 0.0 

assign (residue 69 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 69 and name ha) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 69 and name ha) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 69 and name hb#) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 69 and name hb#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 69 and name hn) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 69 and name hb#) (residue 82 and name hn) 6.0 6.0 0.0 



! ASP 70:

assign (residue 70 and name hn) (residue 70 and name ha) 5.0 5.0 0.0 

assign (residue 70 and name hn) (residue 70 and name hb#) 5.0 5.0 0.0 

assign (residue 70 and name hn) (residue 71 and name hn) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 71 and name hn) 3.0 3.0 0.0 

assign (residue 70 and name ha) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 71 and name he#) 5.5 5.5 0.0 

assign (residue 70 and name hb#) (residue 71 and name hn) 5.0 5.0 0.0 

assign (residue 70 and name hb#) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 80 and name ha) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 81 and name ha) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 83 and name hd2) 6.0 6.0 0.0 



! TYR 71:

assign (residue 71 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 72 and name hn) 4.5 4.5 0.0 

assign (residue 71 and name ha) (residue 72 and name hn) 3.0 3.0 0.0 

assign (residue 71 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 71 and name hb#) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 71 and name hd#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 71 and name he#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 71 and name hb#) (residue 73 and name ha) 5.0 5.0 0.0 

assign (residue 71 and name hb#) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 71 and name hd#) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 80 and name hb#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 80 and name hg#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 80 and name hd#) 5.0 5.0 0.0 

assign (residue 71 and name hd#) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 82 and name hd2#) 6.0 6.0 0.0 



! CYS 72:

assign (residue 72 and name hn) (residue 72 and name ha) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 73 and name ha) 6.0 6.0 0.0 

assign (residue 72 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 73 and name hn) 4.0 4.0 0.0 

assign (residue 72 and name ha) (residue 73 and name ha) 5.0 5.0 0.0 

assign (residue 72 and name ha) (residue 73 and name hg2#) 5.0 5.0 0.0 

assign (residue 72 and name hb#) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 74 and name hn) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name hb#) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name ha) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 72 and name hn) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 80 and name hd#) 5.0 5.0 0.0 



! THR 73:

assign (residue 73 and name hn) (residue 73 and name ha) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 73 and name hb) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 73 and name hg2#) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 74 and name hn) 4.0 4.0 0.0 

assign (residue 73 and name hn) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 73 and name ha) (residue 74 and name hn) 4.0 4.0 0.0 

assign (residue 73 and name hb) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 75 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 75 and name hg#) 6.0 6.0 0.0 

assign (residue 73 and name ha) (residue 75 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name ha) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name ha) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hd#) 5.0 5.0 0.0 

assign (residue 73 and name hb) (residue 75 and name he#) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name he#) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name hz#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 76 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 80 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 80 and name hb#) 4.0 4.0 0.0 

assign (residue 73 and name hg2#) (residue 80 and name hg#) 4.0 4.0 0.0 

assign (residue 73 and name hg2#) (residue 80 and name hd#) 5.0 5.0 0.0 



! GLY 74:

assign (residue 74 and name hn) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 74 and name hn) (residue 75 and name hn) 4.0 4.0 0.0 

assign (residue 74 and name ha#) (residue 75 and name hn) 4.0 4.0 0.0 

assign (residue 74 and name hn) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 74 and name hn) (residue 75 and name hg#) 6.0 6.0 0.0 

assign (residue 74 and name hn) (residue 76 and name hn) 4.0 4.0 0.0 

assign (residue 74 and name ha#) (residue 76 and name hn) 5.0 5.0 0.0 



! LYS 75:

assign (residue 75 and name hn) (residue 75 and name ha) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 75 and name hd#) 6.0 6.0 0.0 

assign (residue 75 and name hn) (residue 76 and name hn) 3.0 3.0 0.0 

assign (residue 75 and name hn) (residue 76 and name ha) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 75 and name ha) (residue 76 and name hn) 4.0 4.0 0.0 

assign (residue 75 and name hb#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 75 and name hb#) (residue 76 and name hb#) 6.0 6.0 0.0 

assign (residue 75 and name hg#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 75 and name hg#) (residue 76 and name hb#) 6.0 6.0 0.0 

!assign (residue 75 and name hd#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 75 and name hz#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 75 and name hn) (residue 77 and name hn) 6.0 6.0 0.0 



! SER 76:

assign (residue 76 and name hn) (residue 76 and name ha) 5.0 5.0 0.0 

assign (residue 76 and name hn) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 76 and name hn) (residue 77 and name hn) 5.0 5.0 0.0 

assign (residue 76 and name ha) (residue 77 and name hn) 3.0 3.0 0.0 

assign (residue 76 and name ha) (residue 77 and name hb#) 6.0 6.0 0.0 

assign (residue 76 and name hb#) (residue 77 and name hn) 4.0 4.0 0.0 

assign (residue 76 and name hn) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 76 and name ha) (residue 78 and name hn) 4.0 4.0 0.0 

assign (residue 76 and name hb#) (residue 78 and name hn) 4.0 4.0 0.0 

assign (residue 76 and name hb#) (residue 78 and name hb#) 6.0 6.0 0.0 



! SER 77:

assign (residue 77 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 77 and name hn) (residue 77 and name hb#) 5.0 5.0 0.0 

assign (residue 77 and name hn) (residue 78 and name hn) 3.0 3.0 0.0 

assign (residue 77 and name hn) (residue 78 and name hb#) 5.0 5.0 0.0 

assign (residue 77 and name ha) (residue 78 and name hn) 4.0 4.0 0.0 

assign (residue 77 and name hb#) (residue 78 and name hn) 5.0 5.0 0.0 



! ASP 78:

assign (residue 78 and name hn) (residue 78 and name ha) 5.0 5.0 0.0 

assign (residue 78 and name hn) (residue 78 and name hb#) 5.0 5.0 0.0 

assign (residue 78 and name hn) (residue 79 and name hn) 5.0 5.0 0.0 

assign (residue 78 and name hn) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 78 and name ha) (residue 79 and name hn) 3.0 3.0 0.0 

assign (residue 78 and name ha) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 78 and name ha) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 78 and name hb#) (residue 79 and name hn) 4.0 4.0 0.0 

assign (residue 78 and name hb#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 78 and name hb#) (residue 80 and name ha) 5.0 5.0 0.0 

assign (residue 78 and name hb#) (residue 80 and name hd#) 6.0 6.0 0.0 



! CYS 79:

assign (residue 79 and name hn) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 79 and name hn) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 79 and name hn) (residue 80 and name hd#) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name ha) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name hb#) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name hg#) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name hd#) 4.0 4.0 0.0 

assign (residue 79 and name hb#) (residue 80 and name hd#) 5.0 5.0 0.0 



! PRO 80:

assign (residue 80 and name ha) (residue 81 and name hn) 3.5 3.5 0.0 

assign (residue 80 and name ha) (residue 81 and name hb#) 5.0 5.0 0.0 

assign (residue 80 and name ha) (residue 81 and name hd1) 4.5 4.5 0.0 

assign (residue 80 and name ha) (residue 81 and name he1) 6.0 6.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name hn) 4.0 4.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name he1) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 81 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hg#) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 80 and name hd#) (residue 81 and name hn) 6.0 6.0 0.0 

assign (residue 80 and name ha) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hb#) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hb#) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hd#) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 82 and name hd2#) 5.0 5.0 0.0 



! TRP 81:

assign (residue 81 and name hn) (residue 81 and name ha) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 81 and name hb#) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 81 and name hd1) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 81 and name he1) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 82 and name hn) 4.0 4.0 0.0 

assign (residue 81 and name ha) (residue 82 and name hn) 3.5 3.5 0.0 

assign (residue 81 and name ha) (residue 82 and name hb#) 6.0 6.0 0.0 

assign (residue 81 and name hb#) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 81 and name hd1) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 81 and name hd1) (residue 82 and name ha) 6.0 6.0 0.0 

assign (residue 81 and name he1) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name he3) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name hb#) (residue 83 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name hd1) (residue 83 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name he3) (residue 83 and name he1) 6.0 6.0 0.0 

assign (residue 81 and name hz2) (residue 83 and name hb#) 6.0 6.0 0.0 ! 290612



! ASN 82:

assign (residue 82 and name hn) (residue 82 and name ha) 5.0 5.0 0.0 

assign (residue 82 and name hn) (residue 82 and name hb#) 5.0 5.0 0.0 

assign (residue 82 and name hn) (residue 82 and name hd2#) 5.0 5.0 0.0 

assign (residue 82 and name hn) (residue 83 and name hn) 4.0 4.0 0.0 

assign (residue 82 and name hn) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 82 and name ha) (residue 83 and name hn) 4.0 4.0 0.0 

assign (residue 82 and name ha) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 82 and name hb#) (residue 83 and name hn) 5.0 5.0 0.0 

assign (residue 82 and name hb#) (residue 83 and name hd2) 5.0 5.0 0.0 

assign (residue 82 and name hb#) (residue 83 and name he1) 6.0 6.0 0.0 



! HIS 83:

assign (residue 83 and name hn) (residue 83 and name ha) 5.0 5.0 0.0 

assign (residue 83 and name hn) (residue 83 and name hb#) 5.0 5.0 0.0 

assign (residue 83 and name hn) (residue 83 and name hd2) 5.0 5.0 0.0 







!################################################################# 

! AMBIGUOUS NOE CONSTRAINTS

!#################################################################




assign (residue 9 and name ha) ((residue 8 and name ha) or (residue 12 and name ha) or (residue 16 and name ha)) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) ((residue 8 and name ha) or (residue 12 and name ha) or (residue 16 and name ha)) 5.0 5.0 0.0 

assign (residue 9 and name hd#) ((residue 8 and name ha) or (residue 12 and name ha) or (residue 16 and name ha)) 5.0 5.0 0.0 

assign (residue 13 and name hn) ((residue 8 and name hd#) or (residue 10 and name hb#)) 6.0 6.0 0.0 

assign (residue 16 and name hb#) ((residue 9 and name hd#) or (residue 10 and name hd#)) 6.0 6.0 0.0 

assign (residue 34 and name hb#) ((residue 9 and name hg2#) or (residue 10 and name hd#)) 6.0 6.0 0.0 

assign (residue 35 and name hn) ((residue 15 and name ha) or (residue 29 and name ha)) 5.0 5.0 0.0 

assign (residue 35 and name hn) ((residue 16 and name hb#) or (residue 29 and name hb#)) 6.0 6.0 0.0 

assign (residue 36 and name hn) ((residue 15 and name ha) or (residue 29 and name ha)) 5.0 5.0 0.0 

assign (residue 51 and name hb#) ((residue 27 and name ha) or (residue 52 and name ha)) 6.0 6.0 0.0 

assign (residue 54 and name he#) ((residue 49 and name ha) or (residue 72 and name ha)) 6.0 6.0 0.0 

assign (residue 54 and name hz#) ((residue 53 and name ha) or (residue 60 and name ha)) 6.0 6.0 0.0 

assign (residue 56 and name ha) ((residue 55 and name hb#) or (residue 55 and name hd#)) 6.0 6.0 0.0 

assign (residue 56 and name hb#) ((residue 55 and name hb#) or (residue 55 and name hd#)) 6.0 6.0 0.0 

assign (residue 56 and name hb#) ((residue 55 and name hz#) or (residue 75 and name hz#)) 6.0 6.0 0.0 

assign (residue 57 and name hn) ((residue 73 and name ha) or (residue 74 and name ha#)) 6.0 6.0 0.0 

assign (residue 58 and name hn) ((residue 73 and name ha) or (residue 74 and name ha#)) 6.0 6.0 0.0 

assign (residue 59 and name hn) ((residue 57 and name hn) or (residue 71 and name hn)) 6.0 6.0 0.0 

assign (residue 67 and name hd1) ((residue 66 and name ha) or (residue 69 and name ha)) 6.0 6.0 0.0 

assign (residue 67 and name he1) ((residue 66 and name ha) or (residue 69 and name ha)) 6.0 6.0 0.0 

assign (residue 67 and name hz2) ((residue 66 and name ha) or (residue 69 and name ha)) 6.0 6.0 0.0 

assign (residue 67 and name he3) ((residue 66 and name ha) or (residue 69 and name ha)) 6.0 6.0 0.0 

assign (residue 70 and name ha) ((residue 69 and name hb#) or (residue 82 and name hb#)) 6.0 6.0 0.0 

assign (residue 73 and name hn) ((residue 53 and name hb#) or (residue 71 and name hb#)) 6.0 6.0 0.0 





!###########################################################################

! H-BOND CONSTRAINTS

!###########################################################################




assign (residue 28 and name o) (residue 37 and name hn) 2.0 2.0 0.3 
assign (residue 28 and name o) (residue 37 and name n) 3.0 0.5 0.3 

assign (residue 30 and name o) (residue 35 and name hn) 2.0 2.0 0.3 
assign (residue 30 and name o) (residue 35 and name n) 3.0 0.5 0.3 

assign (residue 35 and name o) (residue 30 and name hn) 2.0 2.0 0.3 
assign (residue 35 and name o) (residue 30 and name n) 3.0 0.5 0.3 

assign (residue 37 and name o) (residue 40 and name hn) 2.0 2.0 0.3 
assign (residue 37 and name o) (residue 40 and name n) 3.0 0.5 0.3 

assign (residue 45 and name o) (residue 48 and name hn) 2.0 2.0 0.3 
assign (residue 45 and name o) (residue 48 and name n) 3.0 0.5 0.3 

assign (residue 47 and name o) (residue 54 and name hn) 2.0 2.0 0.3 
assign (residue 47 and name o) (residue 54 and name n) 3.0 0.5 0.3 

assign (residue 49 and name o) (residue 52 and name hn) 2.0 2.0 0.3 
assign (residue 49 and name o) (residue 52 and name n) 3.0 0.5 0.3 

assign (residue 51 and name o) (residue 41 and name hn) 2.0 2.0 0.3 
assign (residue 51 and name o) (residue 41 and name n) 3.0 0.5 0.3 

assign (residue 52 and name o) (residue 49 and name hn) 2.0 2.0 0.3 
assign (residue 52 and name o) (residue 49 and name n) 3.0 0.5 0.3 

assign (residue 55 and name o) (residue 58 and name hn) 2.0 2.0 0.3 
assign (residue 55 and name o) (residue 58 and name n) 3.0 0.5 0.3 

assign (residue 58 and name o) (residue 72 and name hn) 2.0 2.0 0.3 
assign (residue 58 and name o) (residue 72 and name n) 3.0 0.5 0.3 

assign (residue 70 and name o) (residue 60 and name hn) 2.0 2.0 0.3 
assign (residue 70 and name o) (residue 60 and name n) 3.0 0.5 0.3 

assign (residue 72 and name o) (residue 57 and name hn) 2.0 2.0 0.3 
assign (residue 72 and name o) (residue 57 and name n) 3.0 0.5 0.3 

assign (residue 77 and name o) (residue 47 and name hn) 2.0 2.0 0.3 
assign (residue 77 and name o) (residue 47 and name n) 3.0 0.5 0.3 

assign (residue 80 and name o) (residue 71 and name hn) 2.0 2.0 0.3 
assign (residue 80 and name o) (residue 71 and name n) 3.0 0.5 0.3 


!################################################################# 

! BITISTATIN isoform "A"

! DIHEDRAL CONSTRAINTS

!#################################################################


# REMARK  error margins are set to conservative default values of double the standard deviation observed in TALOS+. capped at a minimum of +/-20 degree.

assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -68.7   20.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  152.3   20.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -67.2   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  150.0   20.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -101.0   49.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  131.9   41.6 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -127.0   57.5 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  153.8   55.7 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -74.9   22.5 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  120.1   28.5 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -57.8   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -29.7   20.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -70.5   24.2 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -18.9   22.5 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -83.3   29.5 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  116.4   39.3 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -60.3   20.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -26.8   24.1 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -73.8   28.5 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -25.6   38.3 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0 -115.7   23.6 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0   -7.5   29.6 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0 -142.9   35.4 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  159.8   20.2 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0 -107.6   66.7 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  146.6   40.0 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -93.5   41.2 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  130.9   65.3 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -58.0   20.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  137.1   20.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -95.2   22.3 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -25.3   42.5 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0 -134.2   34.5 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  162.7   29.2 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -96.2   25.2 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0   -7.1   38.6 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0 -127.9   53.8 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  141.2   44.3 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -62.7   20.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -25.8   20.0 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -89.9   35.7 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0    2.1   35.5 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0 -107.2   46.4 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  134.8   33.1 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0 -121.3   61.3 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  123.9   20.0 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0 -111.8   48.9 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  144.9   39.8 2
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0  -88.2   36.6 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  125.0   43.4 2
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0   91.3   24.9 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0   -6.3   24.1 2
assign (resid   57 and name C    ) (resid   58 and name N    )
       (resid   58 and name CA   ) (resid   58 and name C    )    1.0  -77.5   31.6 2
assign (resid   58 and name N    ) (resid   58 and name CA   )
       (resid   58 and name C    ) (resid   59 and name N    )    1.0  125.8   20.0 2
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0  -78.2   32.8 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  128.3   34.4 2
assign (resid   60 and name C    ) (resid   61 and name N    )
       (resid   61 and name CA   ) (resid   61 and name C    )    1.0  -99.7   53.0 2
assign (resid   61 and name N    ) (resid   61 and name CA   )
       (resid   61 and name C    ) (resid   62 and name N    )    1.0  139.2   42.4 2
assign (resid   62 and name N    ) (resid   62 and name CA   )
       (resid   62 and name C    ) (resid   63 and name N    )    1.0  129.6   29.2 2
assign (resid   63 and name C    ) (resid   64 and name N    )
       (resid   64 and name CA   ) (resid   64 and name C    )    1.0  -80.9   60.1 2
assign (resid   64 and name N    ) (resid   64 and name CA   )
       (resid   64 and name C    ) (resid   65 and name N    )    1.0  129.7   42.6 2
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0  -82.5   37.6 2
assign (resid   67 and name N    ) (resid   67 and name CA   )
       (resid   67 and name C    ) (resid   68 and name N    )    1.0  -15.4   53.2 2
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0  -84.3   33.8 2
assign (resid   68 and name N    ) (resid   68 and name CA   )
       (resid   68 and name C    ) (resid   69 and name N    )    1.0   -9.0   49.4 2
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0 -107.0   36.2 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  148.5   41.6 2
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0 -121.8   29.8 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0  145.8   37.6 2
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0 -112.8   42.7 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0    5.9   31.0 2
assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0   69.4   25.5 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0   25.7   32.4 2
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0 -103.5   45.8 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0   -4.6   58.0 2
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -77.3   20.6 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  -25.3   35.6 2
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -86.5   44.3 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0  136.2   47.0 2
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0  -66.8   20.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0  149.1   20.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1  -5.646  15.885  19.028
    2    H2   SER   1           HT2      SER   1  -4.876  15.564  20.528
    3    H3   SER   1           HT3      SER   1  -6.013  14.449  19.888
    4    HA   SER   1           HA       SER   1  -3.747  13.717  19.622
    5    HB2  SER   1           HB2      SER   1  -5.404  14.396  17.187
    6    HB3  SER   1           HB1      SER   1  -3.977  13.363  17.107
    7    HG   SER   1           HG       SER   1  -6.484  12.781  17.967
    8    HA   PRO   2           HA       PRO   2  -0.464  16.478  18.636
    9    HB2  PRO   2           HB2      PRO   2   0.478  14.485  16.643
   10    HB3  PRO   2           HB1      PRO   2   1.335  15.197  18.013
   11    HG2  PRO   2           HG2      PRO   2   0.457  12.682  18.110
   12    HG3  PRO   2           HG1      PRO   2   0.390  13.732  19.538
   13    HD2  PRO   2           HD2      PRO   2  -1.804  12.902  17.688
   14    HD3  PRO   2           HD1      PRO   2  -1.840  13.140  19.447
   15    HA   PRO   3           HA       PRO   3  -1.286  18.657  14.881
   16    HB2  PRO   3           HB2      PRO   3   1.152  19.471  14.033
   17    HB3  PRO   3           HB1      PRO   3   0.360  20.157  15.456
   18    HG2  PRO   3           HG2      PRO   3   2.495  18.065  15.301
   19    HG3  PRO   3           HG1      PRO   3   2.356  19.442  16.409
   20    HD2  PRO   3           HD2      PRO   3   1.676  16.918  17.121
   21    HD3  PRO   3           HD1      PRO   3   0.859  18.350  17.778
   22    H    VAL   4           HN       VAL   4  -1.855  18.039  12.962
   23    HA   VAL   4           HA       VAL   4  -0.956  15.684  11.773
   24    HB   VAL   4           HB       VAL   4  -2.213  17.644   9.982
   25   HG11  VAL   4          HG11      VAL   4  -2.264  15.478   9.200
   26   HG12  VAL   4          HG12      VAL   4  -3.870  15.643   9.902
   27   HG13  VAL   4          HG13      VAL   4  -2.602  14.798  10.788
   28   HG21  VAL   4          HG21      VAL   4  -3.391  18.508  11.790
   29   HG22  VAL   4          HG22      VAL   4  -3.477  16.946  12.605
   30   HG23  VAL   4          HG23      VAL   4  -4.465  17.251  11.177
   31    H    CYS   5           HN       CYS   5   1.272  15.810  11.530
   32    HA   CYS   5           HA       CYS   5   2.580  17.986  10.258
   33    HB2  CYS   5           HB2      CYS   5   4.123  15.589   9.889
   34    HB3  CYS   5           HB1      CYS   5   4.441  16.943  10.956
   35    H    GLY   6           HN       GLY   6   1.743  18.515   8.331
   36    HA2  GLY   6           HA2      GLY   6   1.986  18.352   5.972
   37    HA3  GLY   6           HA1      GLY   6   2.163  16.610   6.138
   38    H    ASN   7           HN       ASN   7  -0.348  17.985   8.004
   39    HA   ASN   7           HA       ASN   7  -2.613  17.861   7.925
   40    HB2  ASN   7           HB2      ASN   7  -1.871  18.446   5.100
   41    HB3  ASN   7           HB1      ASN   7  -3.509  17.858   5.380
   42   HD21  ASN   7          HD21      ASN   7  -3.930  20.056   4.489
   43   HD22  ASN   7          HD22      ASN   7  -4.038  21.364   5.613
   44    H    LYS   8           HN       LYS   8  -4.077  16.233   8.059
   45    HA   LYS   8           HA       LYS   8  -3.364  13.604   7.875
   46    HB2  LYS   8           HB2      LYS   8  -5.460  14.626   8.925
   47    HB3  LYS   8           HB1      LYS   8  -6.186  14.512   7.327
   48    HG2  LYS   8           HG2      LYS   8  -4.951  12.092   8.558
   49    HG3  LYS   8           HG1      LYS   8  -6.553  12.622   9.075
   50    HD2  LYS   8           HD2      LYS   8  -6.869  12.747   6.409
   51    HD3  LYS   8           HD1      LYS   8  -5.673  11.454   6.508
   52    HE2  LYS   8           HE2      LYS   8  -7.331  10.614   8.415
   53    HE3  LYS   8           HE1      LYS   8  -8.487  11.523   7.442
   54    HZ1  LYS   8           HZ1      LYS   8  -6.719   9.734   5.986
   55    HZ2  LYS   8           HZ2      LYS   8  -8.365  10.051   5.761
   56    HZ3  LYS   8           HZ3      LYS   8  -7.869   8.988   6.979
   57    H    ILE   9           HN       ILE   9  -2.443  12.722   6.105
   58    HA   ILE   9           HA       ILE   9  -2.837  13.417   3.474
   59    HB   ILE   9           HB       ILE   9  -2.267  11.014   2.852
   60   HG12  ILE   9          HG12      ILE   9  -1.128   9.870   4.895
   61   HG13  ILE   9          HG11      ILE   9  -2.261  10.828   5.844
   62   HG21  ILE   9          HG21      ILE   9  -0.495  12.652   4.625
   63   HG22  ILE   9          HG22      ILE   9  -0.613  12.735   2.871
   64   HG23  ILE   9          HG23      ILE   9   0.078  11.308   3.646
   65   HD11  ILE   9          HD11      ILE   9  -3.836   9.322   5.488
   66   HD12  ILE   9          HD12      ILE   9  -2.691   8.358   4.555
   67   HD13  ILE   9          HD13      ILE   9  -3.694   9.562   3.747
   68    H    LEU  10           HN       LEU  10  -4.395  13.329   2.080
   69    HA   LEU  10           HA       LEU  10  -6.844  11.967   2.802
   70    HB2  LEU  10           HB2      LEU  10  -7.781  13.258   0.858
   71    HB3  LEU  10           HB1      LEU  10  -7.154  14.219   2.184
   72    HG   LEU  10           HG       LEU  10  -6.653  14.888  -0.289
   73   HD11  LEU  10          HD11      LEU  10  -4.135  15.066   1.147
   74   HD12  LEU  10          HD12      LEU  10  -5.529  15.487   2.143
   75   HD13  LEU  10          HD13      LEU  10  -5.240  16.338   0.626
   76   HD21  LEU  10          HD21      LEU  10  -5.735  12.766  -1.014
   77   HD22  LEU  10          HD22      LEU  10  -4.476  12.865   0.215
   78   HD23  LEU  10          HD23      LEU  10  -4.511  14.031  -1.108
   79    H    GLU  11           HN       GLU  11  -4.276  10.807   1.476
   80    HA   GLU  11           HA       GLU  11  -5.395   8.598   0.265
   81    HB2  GLU  11           HB2      GLU  11  -5.105   8.985  -2.125
   82    HB3  GLU  11           HB1      GLU  11  -6.247  10.140  -1.456
   83    HG2  GLU  11           HG2      GLU  11  -5.056  11.705  -2.482
   84    HG3  GLU  11           HG1      GLU  11  -3.838  11.446  -1.232
   85    H    GLN  12           HN       GLN  12  -3.143   9.194   1.898
   86    HA   GLN  12           HA       GLN  12  -0.979   8.269   0.130
   87    HB2  GLN  12           HB2      GLN  12  -0.539   9.876   2.634
   88    HB3  GLN  12           HB1      GLN  12   0.639   9.469   1.403
   89    HG2  GLN  12           HG2      GLN  12  -1.701  11.336   1.091
   90    HG3  GLN  12           HG1      GLN  12  -0.005  11.791   1.242
   91   HE21  GLN  12          HE21      GLN  12  -0.249  12.920  -0.741
   92   HE22  GLN  12          HE22      GLN  12  -0.200  12.075  -2.247
   93    H    GLY  13           HN       GLY  13  -0.834   8.512   3.647
   94    HA2  GLY  13           HA2      GLY  13  -0.749   6.865   5.273
   95    HA3  GLY  13           HA1      GLY  13  -1.289   5.703   4.067
   96    H    GLU  14           HN       GLU  14   1.383   7.667   3.255
   97    HA   GLU  14           HA       GLU  14   3.667   6.743   4.211
   98    HB2  GLU  14           HB2      GLU  14   2.375   4.533   2.745
   99    HB3  GLU  14           HB1      GLU  14   4.062   4.820   2.341
  100    HG2  GLU  14           HG2      GLU  14   4.805   4.030   4.288
  101    HG3  GLU  14           HG1      GLU  14   3.507   4.787   5.210
  102    H    ASP  15           HN       ASP  15   1.795   7.439   1.427
  103    HA   ASP  15           HA       ASP  15   3.715   7.813  -0.533
  104    HB2  ASP  15           HB2      ASP  15   1.011   8.236  -0.311
  105    HB3  ASP  15           HB1      ASP  15   1.627   9.879  -0.446
  106    H    CYS  16           HN       CYS  16   2.360  10.306   1.634
  107    HA   CYS  16           HA       CYS  16   4.670  11.460   2.512
  108    HB2  CYS  16           HB2      CYS  16   5.592  12.124   0.536
  109    HB3  CYS  16           HB1      CYS  16   4.039  12.214  -0.283
  110    H    ASP  17           HN       ASP  17   4.361  13.450   3.582
  111    HA   ASP  17           HA       ASP  17   3.230  14.977   4.812
  112    HB2  ASP  17           HB2      ASP  17   1.748  14.899   2.244
  113    HB3  ASP  17           HB1      ASP  17   0.912  15.640   3.605
  114    H    CYS  18           HN       CYS  18   2.803  12.128   5.199
  115    HA   CYS  18           HA       CYS  18   0.454  11.007   5.579
  116    HB2  CYS  18           HB2      CYS  18   2.209  11.245   8.013
  117    HB3  CYS  18           HB1      CYS  18   1.207   9.892   7.516
  118    H    GLY  19           HN       GLY  19   1.497  13.797   7.472
  119    HA2  GLY  19           HA2      GLY  19   0.267  15.284   8.731
  120    HA3  GLY  19           HA1      GLY  19  -1.155  14.635   7.939
  121    H    SER  20           HN       SER  20  -1.838  12.417   8.748
  122    HA   SER  20           HA       SER  20  -2.582  12.599  11.383
  123    HB2  SER  20           HB2      SER  20  -3.434  10.429  11.207
  124    HB3  SER  20           HB1      SER  20  -3.441  11.019   9.547
  125    HG   SER  20           HG       SER  20  -2.352   9.250   9.186
  126    HA   PRO  21           HA       PRO  21   1.465  12.226  13.281
  127    HB2  PRO  21           HB2      PRO  21  -0.389  12.101  15.622
  128    HB3  PRO  21           HB1      PRO  21   1.087  13.050  15.407
  129    HG2  PRO  21           HG2      PRO  21  -1.299  14.202  15.173
  130    HG3  PRO  21           HG1      PRO  21   0.030  14.640  14.084
  131    HD2  PRO  21           HD2      PRO  21  -2.373  12.956  13.558
  132    HD3  PRO  21           HD1      PRO  21  -1.501  14.041  12.461
  133    H    ALA  22           HN       ALA  22  -1.305  10.126  13.680
  134    HA   ALA  22           HA       ALA  22  -0.231   8.126  15.279
  135    HB1  ALA  22           HB1      ALA  22  -1.742   6.642  13.652
  136    HB2  ALA  22           HB2      ALA  22  -2.347   8.239  13.208
  137    HB3  ALA  22           HB3      ALA  22  -2.428   7.700  14.885
  138    H    ASN  23           HN       ASN  23   0.520   9.032  12.040
  139    HA   ASN  23           HA       ASN  23   2.234   6.661  11.740
  140    HB2  ASN  23           HB2      ASN  23   1.298   8.394   9.462
  141    HB3  ASN  23           HB1      ASN  23   1.947   6.758   9.400
  142   HD21  ASN  23          HD21      ASN  23   0.460   5.357   8.852
  143   HD22  ASN  23          HD22      ASN  23  -1.194   5.370   9.352
  144    H    CYS  24           HN       CYS  24   2.153  10.082  12.020
  145    HA   CYS  24           HA       CYS  24   4.404  10.909  10.628
  146    HB2  CYS  24           HB2      CYS  24   2.681  12.292  11.950
  147    HB3  CYS  24           HB1      CYS  24   3.694  11.988  13.353
  148    H    GLN  25           HN       GLN  25   6.035   9.379  10.713
  149    HA   GLN  25           HA       GLN  25   8.011   8.518  11.437
  150    HB2  GLN  25           HB2      GLN  25   7.718  10.249  13.893
  151    HB3  GLN  25           HB1      GLN  25   9.200   9.571  13.233
  152    HG2  GLN  25           HG2      GLN  25   7.720  11.282  11.376
  153    HG3  GLN  25           HG1      GLN  25   8.316  12.104  12.817
  154   HE21  GLN  25          HE21      GLN  25   9.117  12.300   9.984
  155   HE22  GLN  25          HE22      GLN  25  10.817  11.990   9.964
  156    H    ASP  26           HN       ASP  26   6.284   6.711  11.695
  157    HA   ASP  26           HA       ASP  26   6.978   5.167  13.920
  158    HB2  ASP  26           HB2      ASP  26   5.237   7.047  14.760
  159    HB3  ASP  26           HB1      ASP  26   4.102   5.802  14.247
  160    H    ARG  27           HN       ARG  27   3.845   5.628  12.273
  161    HA   ARG  27           HA       ARG  27   3.659   2.817  11.705
  162    HB2  ARG  27           HB2      ARG  27   1.787   4.661  12.154
  163    HB3  ARG  27           HB1      ARG  27   1.831   4.768  10.399
  164    HG2  ARG  27           HG2      ARG  27   1.104   2.577  10.123
  165    HG3  ARG  27           HG1      ARG  27   1.545   2.123  11.770
  166    HD2  ARG  27           HD2      ARG  27  -0.243   4.049  12.301
  167    HD3  ARG  27           HD1      ARG  27  -0.873   3.488  10.753
  168    HE   ARG  27           HE       ARG  27  -1.556   1.557  11.773
  169   HH11  ARG  27          HH11      ARG  27   0.729   3.178  13.854
  170   HH12  ARG  27          HH12      ARG  27   0.470   2.102  15.185
  171   HH21  ARG  27          HH21      ARG  27  -1.899   0.141  13.523
  172   HH22  ARG  27          HH22      ARG  27  -1.021   0.378  14.998
  173    H    CYS  28           HN       CYS  28   5.879   3.227  10.503
  174    HA   CYS  28           HA       CYS  28   7.063   3.327   8.549
  175    HB2  CYS  28           HB2      CYS  28   4.597   2.221   7.233
  176    HB3  CYS  28           HB1      CYS  28   6.282   1.874   6.868
  177    H    CYS  29           HN       CYS  29   5.403   5.721   9.139
  178    HA   CYS  29           HA       CYS  29   5.244   6.761   6.386
  179    HB2  CYS  29           HB2      CYS  29   3.005   6.191   7.686
  180    HB3  CYS  29           HB1      CYS  29   3.316   7.751   8.437
  181    H    ASN  30           HN       ASN  30   5.857   8.832   6.056
  182    HA   ASN  30           HA       ASN  30   7.048  10.234   8.355
  183    HB2  ASN  30           HB2      ASN  30   7.915  10.011   5.491
  184    HB3  ASN  30           HB1      ASN  30   8.391  11.387   6.461
  185   HD21  ASN  30          HD21      ASN  30   8.741  10.158   8.913
  186   HD22  ASN  30          HD22      ASN  30  10.086   9.081   8.816
  187    H    ALA  31           HN       ALA  31   5.380  11.461   8.945
  188    HA   ALA  31           HA       ALA  31   3.891  13.041   7.037
  189    HB1  ALA  31           HB1      ALA  31   3.355  14.008   9.606
  190    HB2  ALA  31           HB2      ALA  31   3.594  12.279   9.804
  191    HB3  ALA  31           HB3      ALA  31   2.385  12.873   8.683
  192    H    ALA  32           HN       ALA  32   6.702  13.260   8.952
  193    HA   ALA  32           HA       ALA  32   6.884  16.174   8.603
  194    HB1  ALA  32           HB1      ALA  32   7.221  15.334  10.879
  195    HB2  ALA  32           HB2      ALA  32   8.689  16.077  10.243
  196    HB3  ALA  32           HB3      ALA  32   8.546  14.319  10.306
  197    H    THR  33           HN       THR  33   7.774  13.348   7.094
  198    HA   THR  33           HA       THR  33  10.141  14.613   5.903
  199    HB   THR  33           HB       THR  33  10.146  11.742   5.615
  200    HG1  THR  33           HG1      THR  33  10.606  11.469   7.954
  201   HG21  THR  33          HG21      THR  33  12.331  11.878   6.305
  202   HG22  THR  33          HG22      THR  33  12.030  13.294   7.312
  203   HG23  THR  33          HG23      THR  33  12.063  13.452   5.555
  204    H    CYS  34           HN       CYS  34   7.053  13.979   5.250
  205    HA   CYS  34           HA       CYS  34   5.813  13.594   3.389
  206    HB2  CYS  34           HB2      CYS  34   6.670  15.715   2.765
  207    HB3  CYS  34           HB1      CYS  34   8.218  15.031   2.288
  208    H    LYS  35           HN       LYS  35   6.855  11.211   4.045
  209    HA   LYS  35           HA       LYS  35   6.817   9.812   1.618
  210    HB2  LYS  35           HB2      LYS  35   9.401  10.833   2.333
  211    HB3  LYS  35           HB1      LYS  35   9.427   9.076   2.375
  212    HG2  LYS  35           HG2      LYS  35   8.072  10.115   0.026
  213    HG3  LYS  35           HG1      LYS  35   9.748  10.655   0.147
  214    HD2  LYS  35           HD2      LYS  35   9.414   7.830   0.775
  215    HD3  LYS  35           HD1      LYS  35   8.887   8.236  -0.859
  216    HE2  LYS  35           HE2      LYS  35  10.986   8.834  -1.535
  217    HE3  LYS  35           HE1      LYS  35  11.477   9.343   0.080
  218    HZ1  LYS  35           HZ1      LYS  35  12.631   7.430  -0.004
  219    HZ2  LYS  35           HZ2      LYS  35  11.622   6.722  -1.161
  220    HZ3  LYS  35           HZ3      LYS  35  11.161   6.735   0.466
  221    H    LEU  36           HN       LEU  36   7.870   7.508   1.965
  222    HA   LEU  36           HA       LEU  36   6.647   6.485   4.405
  223    HB2  LEU  36           HB2      LEU  36   7.031   4.264   3.407
  224    HB3  LEU  36           HB1      LEU  36   6.106   5.321   2.358
  225    HG   LEU  36           HG       LEU  36   9.016   5.328   1.885
  226   HD11  LEU  36          HD11      LEU  36   8.889   3.206   0.595
  227   HD12  LEU  36          HD12      LEU  36   7.328   2.890   1.353
  228   HD13  LEU  36          HD13      LEU  36   8.785   2.988   2.342
  229   HD21  LEU  36          HD21      LEU  36   8.389   5.916  -0.196
  230   HD22  LEU  36          HD22      LEU  36   6.850   6.284   0.584
  231   HD23  LEU  36          HD23      LEU  36   7.073   4.743  -0.246
  232    H    THR  37           HN       THR  37   7.819   4.995   5.818
  233    HA   THR  37           HA       THR  37  10.652   5.752   5.986
  234    HB   THR  37           HB       THR  37  10.374   4.809   8.369
  235    HG1  THR  37           HG1      THR  37   8.204   4.875   9.085
  236   HG21  THR  37          HG21      THR  37  10.465   7.233   7.792
  237   HG22  THR  37          HG22      THR  37   9.536   6.841   9.238
  238   HG23  THR  37          HG23      THR  37   8.703   7.213   7.729
  239    HA   PRO  38           HA       PRO  38  12.619   1.891   5.281
  240    HB2  PRO  38           HB2      PRO  38  13.192   1.830   8.222
  241    HB3  PRO  38           HB1      PRO  38  14.275   1.503   6.862
  242    HG2  PRO  38           HG2      PRO  38  14.367   3.841   8.123
  243    HG3  PRO  38           HG1      PRO  38  14.537   3.755   6.360
  244    HD2  PRO  38           HD2      PRO  38  12.247   4.699   7.995
  245    HD3  PRO  38           HD1      PRO  38  12.754   5.193   6.369
  246    H    GLY  39           HN       GLY  39  12.120  -0.261   5.297
  247    HA2  GLY  39           HA2      GLY  39  11.175  -2.250   6.149
  248    HA3  GLY  39           HA1      GLY  39  10.331  -1.299   7.365
  249    H    SER  40           HN       SER  40   9.506   0.609   5.162
  250    HA   SER  40           HA       SER  40   7.080  -0.808   4.450
  251    HB2  SER  40           HB2      SER  40   7.523   1.767   5.211
  252    HB3  SER  40           HB1      SER  40   7.493   1.950   3.457
  253    HG   SER  40           HG       SER  40   5.436   1.252   3.402
  254    H    GLN  41           HN       GLN  41   7.271  -2.121   2.730
  255    HA   GLN  41           HA       GLN  41   9.069  -1.620   0.569
  256    HB2  GLN  41           HB2      GLN  41   7.060  -3.694   1.255
  257    HB3  GLN  41           HB1      GLN  41   7.433  -3.502  -0.453
  258    HG2  GLN  41           HG2      GLN  41   9.780  -3.621   1.294
  259    HG3  GLN  41           HG1      GLN  41   8.798  -5.085   1.279
  260   HE21  GLN  41          HE21      GLN  41   9.542  -2.726  -1.255
  261   HE22  GLN  41          HE22      GLN  41  10.237  -3.864  -2.354
  262    H    CYS  42           HN       CYS  42   5.732  -0.911   1.214
  263    HA   CYS  42           HA       CYS  42   5.614   0.751  -1.154
  264    HB2  CYS  42           HB2      CYS  42   4.837  -1.414  -1.999
  265    HB3  CYS  42           HB1      CYS  42   3.631  -1.490  -0.718
  266    H    ASN  43           HN       ASN  43   4.285   2.478  -0.913
  267    HA   ASN  43           HA       ASN  43   3.389   3.090   1.714
  268    HB2  ASN  43           HB2      ASN  43   2.484   5.167   0.640
  269    HB3  ASN  43           HB1      ASN  43   4.190   4.879   0.309
  270   HD21  ASN  43          HD21      ASN  43   2.076   6.380  -1.148
  271   HD22  ASN  43          HD22      ASN  43   2.111   5.751  -2.756
  272    H    TYR  44           HN       TYR  44   1.828   2.116  -1.264
  273    HA   TYR  44           HA       TYR  44  -0.357   0.890  -0.031
  274    HB2  TYR  44           HB2      TYR  44  -2.171   2.422  -0.447
  275    HB3  TYR  44           HB1      TYR  44  -0.957   3.269   0.508
  276    HD1  TYR  44           HD1      TYR  44  -2.076   2.759  -3.006
  277    HD2  TYR  44           HD2      TYR  44  -0.146   5.326  -0.217
  278    HE1  TYR  44           HE1      TYR  44  -1.976   4.517  -4.711
  279    HE2  TYR  44           HE2      TYR  44  -0.039   7.102  -1.905
  280    HH   TYR  44           HH       TYR  44  -1.553   7.620  -4.134
  281    H    GLY  45           HN       GLY  45  -2.108   0.367  -1.681
  282    HA2  GLY  45           HA2      GLY  45  -2.394   0.653  -4.233
  283    HA3  GLY  45           HA1      GLY  45  -0.780  -0.039  -4.272
  284    H    GLU  46           HN       GLU  46  -2.116  -1.530  -5.684
  285    HA   GLU  46           HA       GLU  46  -4.002  -3.306  -4.654
  286    HB2  GLU  46           HB2      GLU  46  -2.055  -3.441  -6.926
  287    HB3  GLU  46           HB1      GLU  46  -3.025  -4.848  -6.512
  288    HG2  GLU  46           HG2      GLU  46  -4.965  -3.906  -7.219
  289    HG3  GLU  46           HG1      GLU  46  -4.436  -2.266  -6.841
  290    H    CYS  47           HN       CYS  47  -0.470  -3.633  -4.842
  291    HA   CYS  47           HA       CYS  47  -0.646  -6.064  -3.196
  292    HB2  CYS  47           HB2      CYS  47   1.302  -5.024  -5.186
  293    HB3  CYS  47           HB1      CYS  47   1.938  -5.999  -3.868
  294    H    CYS  48           HN       CYS  48  -0.942  -3.357  -2.061
  295    HA   CYS  48           HA       CYS  48   1.417  -3.425  -0.296
  296    HB2  CYS  48           HB2      CYS  48  -0.071  -0.883  -0.866
  297    HB3  CYS  48           HB1      CYS  48   1.568  -1.093  -0.257
  298    H    ASP  49           HN       ASP  49   0.943  -3.906   1.714
  299    HA   ASP  49           HA       ASP  49  -1.516  -2.887   2.915
  300    HB2  ASP  49           HB2      ASP  49  -1.974  -5.195   2.060
  301    HB3  ASP  49           HB1      ASP  49  -0.711  -5.793   3.132
  302    H    GLN  50           HN       GLN  50  -1.106  -2.012   4.811
  303    HA   GLN  50           HA       GLN  50  -0.182  -1.520   6.817
  304    HB2  GLN  50           HB2      GLN  50   0.393  -4.351   6.477
  305    HB3  GLN  50           HB1      GLN  50   1.627  -3.541   7.432
  306    HG2  GLN  50           HG2      GLN  50  -0.569  -2.543   8.599
  307    HG3  GLN  50           HG1      GLN  50  -1.198  -4.097   8.056
  308   HE21  GLN  50          HE21      GLN  50  -1.326  -4.089  10.549
  309   HE22  GLN  50          HE22      GLN  50   0.004  -4.840  11.357
  310    H    CYS  51           HN       CYS  51   2.615  -3.366   5.714
  311    HA   CYS  51           HA       CYS  51   4.023  -0.982   4.862
  312    HB2  CYS  51           HB2      CYS  51   5.063  -2.548   7.232
  313    HB3  CYS  51           HB1      CYS  51   5.829  -1.155   6.479
  314    H    ARG  52           HN       ARG  52   3.253  -3.749   3.876
  315    HA   ARG  52           HA       ARG  52   5.805  -4.316   2.633
  316    HB2  ARG  52           HB2      ARG  52   5.320  -5.694   4.906
  317    HB3  ARG  52           HB1      ARG  52   4.540  -6.750   3.737
  318    HG2  ARG  52           HG2      ARG  52   6.586  -7.652   3.577
  319    HG3  ARG  52           HG1      ARG  52   6.882  -6.298   2.484
  320    HD2  ARG  52           HD2      ARG  52   7.714  -4.994   4.436
  321    HD3  ARG  52           HD1      ARG  52   7.555  -6.449   5.419
  322    HE   ARG  52           HE       ARG  52   9.658  -5.836   3.597
  323   HH11  ARG  52          HH11      ARG  52   7.807  -8.475   4.936
  324   HH12  ARG  52          HH12      ARG  52   9.062  -9.643   4.693
  325   HH21  ARG  52          HH21      ARG  52  11.310  -7.371   3.277
  326   HH22  ARG  52          HH22      ARG  52  11.051  -9.016   3.752
  327    H    PHE  53           HN       PHE  53   5.583  -6.109   0.978
  328    HA   PHE  53           HA       PHE  53   3.306  -5.559  -0.646
  329    HB2  PHE  53           HB2      PHE  53   5.623  -7.467  -0.930
  330    HB3  PHE  53           HB1      PHE  53   4.304  -7.427  -2.098
  331    HD1  PHE  53           HD1      PHE  53   3.757  -4.556  -2.265
  332    HD2  PHE  53           HD2      PHE  53   7.458  -6.640  -2.088
  333    HE1  PHE  53           HE1      PHE  53   4.838  -2.714  -3.459
  334    HE2  PHE  53           HE2      PHE  53   8.557  -4.791  -3.284
  335    HZ   PHE  53           HZ       PHE  53   7.247  -2.821  -3.973
  336    H    LYS  54           HN       LYS  54   1.590  -6.870  -1.200
  337    HA   LYS  54           HA       LYS  54   0.629  -8.617   0.804
  338    HB2  LYS  54           HB2      LYS  54  -0.255  -7.949  -1.986
  339    HB3  LYS  54           HB1      LYS  54  -1.040  -9.247  -1.097
  340    HG2  LYS  54           HG2      LYS  54  -0.775  -6.463  -0.003
  341    HG3  LYS  54           HG1      LYS  54  -2.143  -6.983  -0.988
  342    HD2  LYS  54           HD2      LYS  54  -2.044  -8.978   0.843
  343    HD3  LYS  54           HD1      LYS  54  -1.469  -7.615   1.806
  344    HE2  LYS  54           HE2      LYS  54  -3.453  -6.459   1.597
  345    HE3  LYS  54           HE1      LYS  54  -3.901  -7.289   0.108
  346    HZ1  LYS  54           HZ1      LYS  54  -3.935  -9.334   1.759
  347    HZ2  LYS  54           HZ2      LYS  54  -5.284  -8.336   1.543
  348    HZ3  LYS  54           HZ3      LYS  54  -4.276  -8.115   2.882
  349    H    LYS  55           HN       LYS  55   1.923 -10.354   1.209
  350    HA   LYS  55           HA       LYS  55   3.542 -11.901  -0.143
  351    HB2  LYS  55           HB2      LYS  55   2.699 -12.413   2.136
  352    HB3  LYS  55           HB1      LYS  55   1.257 -13.115   1.416
  353    HG2  LYS  55           HG2      LYS  55   2.455 -14.907   0.494
  354    HG3  LYS  55           HG1      LYS  55   4.007 -14.105   0.744
  355    HD2  LYS  55           HD2      LYS  55   2.310 -14.668   3.122
  356    HD3  LYS  55           HD1      LYS  55   3.157 -16.017   2.361
  357    HE2  LYS  55           HE2      LYS  55   4.842 -15.399   3.721
  358    HE3  LYS  55           HE1      LYS  55   5.142 -14.189   2.474
  359    HZ1  LYS  55           HZ1      LYS  55   3.342 -12.922   3.961
  360    HZ2  LYS  55           HZ2      LYS  55   5.008 -12.802   4.224
  361    HZ3  LYS  55           HZ3      LYS  55   4.080 -13.864   5.158
  362    H    ALA  56           HN       ALA  56   3.670 -13.048  -1.958
  363    HA   ALA  56           HA       ALA  56   1.892 -13.044  -3.991
  364    HB1  ALA  56           HB1      ALA  56   4.015 -14.997  -3.246
  365    HB2  ALA  56           HB2      ALA  56   3.940 -13.877  -4.607
  366    HB3  ALA  56           HB3      ALA  56   2.958 -15.344  -4.616
  367    H    GLY  57           HN       GLY  57  -0.021 -13.899  -4.429
  368    HA2  GLY  57           HA2      GLY  57  -1.416 -15.937  -4.444
  369    HA3  GLY  57           HA1      GLY  57  -0.911 -16.194  -2.778
  370    H    THR  58           HN       THR  58  -1.177 -13.031  -2.770
  371    HA   THR  58           HA       THR  58  -3.808 -13.054  -1.594
  372    HB   THR  58           HB       THR  58  -1.830 -10.808  -2.064
  373    HG1  THR  58           HG1      THR  58  -1.302 -12.556  -0.541
  374   HG21  THR  58          HG21      THR  58  -3.226  -9.330  -1.196
  375   HG22  THR  58          HG22      THR  58  -3.707 -10.427   0.099
  376   HG23  THR  58          HG23      THR  58  -4.506 -10.515  -1.472
  377    H    VAL  59           HN       VAL  59  -5.487 -13.141  -3.006
  378    HA   VAL  59           HA       VAL  59  -5.416 -12.132  -5.633
  379    HB   VAL  59           HB       VAL  59  -7.033 -13.851  -4.978
  380   HG11  VAL  59          HG11      VAL  59  -8.541 -13.659  -3.322
  381   HG12  VAL  59          HG12      VAL  59  -8.892 -11.972  -3.697
  382   HG13  VAL  59          HG13      VAL  59  -7.465 -12.386  -2.747
  383   HG21  VAL  59          HG21      VAL  59  -8.411 -11.332  -5.899
  384   HG22  VAL  59          HG22      VAL  59  -8.975 -12.985  -6.144
  385   HG23  VAL  59          HG23      VAL  59  -7.498 -12.432  -6.932
  386    H    CYS  60           HN       CYS  60  -5.333 -10.072  -6.240
  387    HA   CYS  60           HA       CYS  60  -6.510  -8.040  -4.474
  388    HB2  CYS  60           HB2      CYS  60  -4.703  -7.439  -6.794
  389    HB3  CYS  60           HB1      CYS  60  -5.032  -6.453  -5.374
  390    H    ARG  61           HN       ARG  61  -6.783  -9.499  -7.588
  391    HA   ARG  61           HA       ARG  61  -9.191  -7.976  -8.120
  392    HB2  ARG  61           HB2      ARG  61  -7.143  -8.074 -10.313
  393    HB3  ARG  61           HB1      ARG  61  -8.556  -7.039 -10.170
  394    HG2  ARG  61           HG2      ARG  61  -7.442  -5.877  -8.281
  395    HG3  ARG  61           HG1      ARG  61  -5.999  -6.842  -8.598
  396    HD2  ARG  61           HD2      ARG  61  -7.319  -5.081 -10.655
  397    HD3  ARG  61           HD1      ARG  61  -6.003  -4.545  -9.612
  398    HE   ARG  61           HE       ARG  61  -5.529  -6.931 -11.210
  399   HH11  ARG  61          HH11      ARG  61  -5.074  -3.484 -10.848
  400   HH12  ARG  61          HH12      ARG  61  -3.734  -3.424 -11.941
  401   HH21  ARG  61          HH21      ARG  61  -3.770  -6.845 -12.649
  402   HH22  ARG  61          HH22      ARG  61  -2.996  -5.328 -12.964
  403    H    ILE  62           HN       ILE  62  -9.916  -8.683 -10.506
  404    HA   ILE  62           HA       ILE  62  -9.307 -11.259 -11.419
  405    HB   ILE  62           HB       ILE  62 -10.310 -12.151  -9.441
  406   HG12  ILE  62          HG12      ILE  62 -12.217 -13.414 -10.353
  407   HG13  ILE  62          HG11      ILE  62 -12.327 -12.281 -11.695
  408   HG21  ILE  62          HG21      ILE  62 -12.941 -10.873  -9.917
  409   HG22  ILE  62          HG22      ILE  62 -11.666  -9.897  -9.185
  410   HG23  ILE  62          HG23      ILE  62 -12.189 -11.391  -8.407
  411   HD11  ILE  62          HD11      ILE  62 -11.176 -13.981 -12.674
  412   HD12  ILE  62          HD12      ILE  62 -10.351 -14.432 -11.183
  413   HD13  ILE  62          HD13      ILE  62  -9.834 -13.005 -12.080
  414    H    ALA  63           HN       ALA  63 -10.101 -11.475 -13.412
  415    HA   ALA  63           HA       ALA  63 -11.296  -9.344 -14.713
  416    HB1  ALA  63           HB1      ALA  63 -11.930 -11.550 -16.277
  417    HB2  ALA  63           HB2      ALA  63 -10.461 -12.007 -15.413
  418    HB3  ALA  63           HB3      ALA  63 -10.490 -10.540 -16.388
  419    H    ARG  64           HN       ARG  64 -13.127 -12.302 -15.159
  420    HA   ARG  64           HA       ARG  64 -15.394 -11.169 -13.705
  421    HB2  ARG  64           HB2      ARG  64 -15.233 -11.551 -16.652
  422    HB3  ARG  64           HB1      ARG  64 -16.754 -11.940 -15.862
  423    HG2  ARG  64           HG2      ARG  64 -15.333  -9.294 -15.653
  424    HG3  ARG  64           HG1      ARG  64 -16.679  -9.643 -16.740
  425    HD2  ARG  64           HD2      ARG  64 -17.718 -10.466 -14.387
  426    HD3  ARG  64           HD1      ARG  64 -16.659  -9.171 -13.832
  427    HE   ARG  64           HE       ARG  64 -18.016  -8.061 -15.910
  428   HH11  ARG  64          HH11      ARG  64 -18.976  -9.689 -12.976
  429   HH12  ARG  64          HH12      ARG  64 -20.460  -8.809 -12.825
  430   HH21  ARG  64          HH21      ARG  64 -19.966  -6.902 -15.713
  431   HH22  ARG  64          HH22      ARG  64 -21.022  -7.227 -14.379
  432    H    GLY  65           HN       GLY  65 -15.081 -12.932 -12.256
  433    HA2  GLY  65           HA2      GLY  65 -16.531 -14.957 -11.921
  434    HA3  GLY  65           HA1      GLY  65 -15.806 -15.552 -13.409
  435    H    ASP  66           HN       ASP  66 -13.945 -16.648 -13.320
  436    HA   ASP  66           HA       ASP  66 -11.914 -16.350 -11.465
  437    HB2  ASP  66           HB2      ASP  66 -12.286 -18.461 -10.099
  438    HB3  ASP  66           HB1      ASP  66 -13.328 -17.097  -9.706
  439    H    TRP  67           HN       TRP  67 -10.690 -16.676 -13.273
  440    HA   TRP  67           HA       TRP  67 -10.573 -19.444 -14.283
  441    HB2  TRP  67           HB2      TRP  67  -9.323 -17.736 -16.158
  442    HB3  TRP  67           HB1      TRP  67 -10.832 -18.619 -16.354
  443    HD1  TRP  67           HD1      TRP  67  -9.709 -15.184 -14.877
  444    HE1  TRP  67           HE1      TRP  67 -11.560 -13.490 -15.393
  445    HE3  TRP  67           HE3      TRP  67 -13.046 -18.295 -17.168
  446    HZ2  TRP  67           HZ2      TRP  67 -14.087 -13.458 -16.611
  447    HZ3  TRP  67           HZ3      TRP  67 -15.167 -17.349 -17.992
  448    HH2  TRP  67           HH2      TRP  67 -15.675 -14.974 -17.719
  449    H    ASN  68           HN       ASN  68  -8.576 -16.551 -14.420
  450    HA   ASN  68           HA       ASN  68  -6.236 -18.126 -13.611
  451    HB2  ASN  68           HB2      ASN  68  -6.046 -15.336 -14.689
  452    HB3  ASN  68           HB1      ASN  68  -4.899 -16.665 -14.833
  453   HD21  ASN  68          HD21      ASN  68  -8.081 -15.559 -15.901
  454   HD22  ASN  68          HD22      ASN  68  -8.040 -16.353 -17.434
  455    H    ASP  69           HN       ASP  69  -8.218 -15.362 -12.854
  456    HA   ASP  69           HA       ASP  69  -8.407 -14.048 -11.016
  457    HB2  ASP  69           HB2      ASP  69  -7.036 -16.467  -9.922
  458    HB3  ASP  69           HB1      ASP  69  -7.219 -15.047  -8.897
  459    H    ASP  70           HN       ASP  70  -7.380 -12.365  -9.979
  460    HA   ASP  70           HA       ASP  70  -4.662 -11.862 -10.883
  461    HB2  ASP  70           HB2      ASP  70  -6.540 -10.142 -11.070
  462    HB3  ASP  70           HB1      ASP  70  -6.431  -9.985  -9.322
  463    H    TYR  71           HN       TYR  71  -2.952 -12.216  -9.613
  464    HA   TYR  71           HA       TYR  71  -3.380 -12.152  -6.706
  465    HB2  TYR  71           HB2      TYR  71  -2.186 -14.326  -8.369
  466    HB3  TYR  71           HB1      TYR  71  -1.668 -14.101  -6.698
  467    HD1  TYR  71           HD2      TYR  71  -3.430 -14.079  -4.914
  468    HD2  TYR  71           HD1      TYR  71  -4.168 -15.459  -8.850
  469    HE1  TYR  71           HE2      TYR  71  -5.393 -15.290  -4.092
  470    HE2  TYR  71           HE1      TYR  71  -6.151 -16.668  -8.069
  471    HH   TYR  71           HH       TYR  71  -7.029 -17.619  -5.974
  472    H    CYS  72           HN       CYS  72  -1.706 -11.600  -5.416
  473    HA   CYS  72           HA       CYS  72   0.231  -9.839  -6.539
  474    HB2  CYS  72           HB2      CYS  72  -0.897  -9.751  -4.213
  475    HB3  CYS  72           HB1      CYS  72   0.336 -10.914  -3.735
  476    H    THR  73           HN       THR  73   2.582 -10.039  -6.022
  477    HA   THR  73           HA       THR  73   3.458 -12.842  -6.240
  478    HB   THR  73           HB       THR  73   5.008 -12.298  -7.893
  479    HG1  THR  73           HG1      THR  73   6.123 -10.560  -7.615
  480   HG21  THR  73          HG21      THR  73   3.173 -10.157  -8.756
  481   HG22  THR  73          HG22      THR  73   2.461 -11.746  -8.467
  482   HG23  THR  73          HG23      THR  73   3.774 -11.565  -9.632
  483    H    GLY  74           HN       GLY  74   3.401 -10.355  -4.171
  484    HA2  GLY  74           HA2      GLY  74   4.636  -9.755  -2.338
  485    HA3  GLY  74           HA1      GLY  74   5.348 -11.356  -2.450
  486    H    LYS  75           HN       LYS  75   5.646  -9.022  -5.034
  487    HA   LYS  75           HA       LYS  75   8.302  -8.227  -4.161
  488    HB2  LYS  75           HB2      LYS  75   7.876  -9.672  -6.780
  489    HB3  LYS  75           HB1      LYS  75   9.389  -8.968  -6.223
  490    HG2  LYS  75           HG2      LYS  75   9.136 -10.543  -4.207
  491    HG3  LYS  75           HG1      LYS  75   7.956 -11.390  -5.209
  492    HD2  LYS  75           HD2      LYS  75  10.001 -11.118  -6.960
  493    HD3  LYS  75           HD1      LYS  75  10.887 -11.250  -5.439
  494    HE2  LYS  75           HE2      LYS  75  10.690 -13.460  -6.132
  495    HE3  LYS  75           HE1      LYS  75   9.364 -13.278  -4.984
  496    HZ1  LYS  75           HZ1      LYS  75   7.992 -12.711  -7.058
  497    HZ2  LYS  75           HZ2      LYS  75   8.387 -14.332  -6.779
  498    HZ3  LYS  75           HZ3      LYS  75   9.250 -13.437  -7.926
  499    H    SER  76           HN       SER  76   5.557  -7.081  -4.975
  500    HA   SER  76           HA       SER  76   6.576  -4.702  -6.137
  501    HB2  SER  76           HB2      SER  76   5.292  -6.709  -7.925
  502    HB3  SER  76           HB1      SER  76   4.881  -5.012  -8.176
  503    HG   SER  76           HG       SER  76   7.102  -6.321  -8.891
  504    H    SER  77           HN       SER  77   4.842  -3.108  -6.588
  505    HA   SER  77           HA       SER  77   2.738  -3.368  -4.591
  506    HB2  SER  77           HB2      SER  77   2.347  -0.934  -5.129
  507    HB3  SER  77           HB1      SER  77   3.962  -1.301  -4.524
  508    HG   SER  77           HG       SER  77   4.800  -0.903  -6.455
  509    H    ASP  78           HN       ASP  78   2.886  -4.513  -7.526
  510    HA   ASP  78           HA       ASP  78   0.148  -3.683  -8.233
  511    HB2  ASP  78           HB2      ASP  78   2.563  -4.145  -9.929
  512    HB3  ASP  78           HB1      ASP  78   0.987  -4.566 -10.593
  513    H    CYS  79           HN       CYS  79  -1.276  -5.261  -8.938
  514    HA   CYS  79           HA       CYS  79  -0.463  -8.039  -8.361
  515    HB2  CYS  79           HB2      CYS  79  -2.461  -6.495  -7.173
  516    HB3  CYS  79           HB1      CYS  79  -3.326  -7.567  -8.267
  517    HA   PRO  80           HA       PRO  80  -1.436  -8.300 -12.802
  518    HB2  PRO  80           HB2      PRO  80  -0.347 -10.760 -13.161
  519    HB3  PRO  80           HB1      PRO  80   0.620  -9.282 -13.106
  520    HG2  PRO  80           HG2      PRO  80   0.107 -11.289 -10.943
  521    HG3  PRO  80           HG1      PRO  80   1.631 -10.509 -11.405
  522    HD2  PRO  80           HD2      PRO  80   0.175  -9.677  -9.290
  523    HD3  PRO  80           HD1      PRO  80   1.115  -8.554 -10.291
  524    H    TRP  81           HN       TRP  81  -3.153  -9.170 -13.835
  525    HA   TRP  81           HA       TRP  81  -5.128 -10.592 -12.378
  526    HB2  TRP  81           HB2      TRP  81  -5.398 -10.774 -15.285
  527    HB3  TRP  81           HB1      TRP  81  -6.513 -10.126 -14.091
  528    HD1  TRP  81           HD1      TRP  81  -3.634  -9.060 -16.393
  529    HE1  TRP  81           HE1      TRP  81  -3.708  -6.496 -16.628
  530    HE3  TRP  81           HE3      TRP  81  -7.222  -8.056 -12.931
  531    HZ2  TRP  81           HZ2      TRP  81  -5.121  -4.335 -15.488
  532    HZ3  TRP  81           HZ3      TRP  81  -7.898  -5.713 -12.555
  533    HH2  TRP  81           HH2      TRP  81  -6.861  -3.889 -13.810
  534    H    ASN  82           HN       ASN  82  -2.433 -11.607 -14.168
  535    HA   ASN  82           HA       ASN  82  -1.549 -13.700 -14.494
  536    HB2  ASN  82           HB2      ASN  82  -2.924 -14.267 -12.367
  537    HB3  ASN  82           HB1      ASN  82  -4.095 -14.956 -13.488
  538   HD21  ASN  82          HD21      ASN  82  -1.396 -15.562 -11.653
  539   HD22  ASN  82          HD22      ASN  82  -0.892 -17.042 -12.388
  540    H    HIS  83           HN       HIS  83  -3.372 -12.152 -16.263
  541    HA   HIS  83           HA       HIS  83  -4.582 -14.256 -17.893
  542    HB2  HIS  83           HB2      HIS  83  -4.771 -11.240 -18.119
  543    HB3  HIS  83           HB1      HIS  83  -5.670 -12.402 -19.095
  544    HD1  HIS  83           HD1      HIS  83  -6.996 -10.263 -17.189
  545    HD2  HIS  83           HD2      HIS  83  -6.352 -14.262 -16.279
  546    HE1  HIS  83           HE1      HIS  83  -8.638 -10.814 -15.365
  547    HE2  HIS  83           HE2      HIS  83  -8.177 -13.217 -14.778
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1  -6.067  17.080  20.626
    2    H2   SER   1           HT2      SER   1  -5.217  18.314  19.790
    3    H3   SER   1           HT3      SER   1  -4.480  17.508  21.113
    4    HA   SER   1           HA       SER   1  -4.302  15.528  19.950
    5    HB2  SER   1           HB2      SER   1  -6.627  16.286  18.762
    6    HB3  SER   1           HB1      SER   1  -5.488  16.566  17.445
    7    HG   SER   1           HG       SER   1  -6.344  14.419  17.479
    8    HA   PRO   2           HA       PRO   2  -0.566  17.095  18.214
    9    HB2  PRO   2           HB2      PRO   2   0.008  15.082  16.417
   10    HB3  PRO   2           HB1      PRO   2   0.357  15.013  18.146
   11    HG2  PRO   2           HG2      PRO   2  -1.934  13.841  16.626
   12    HG3  PRO   2           HG1      PRO   2  -1.006  13.149  17.969
   13    HD2  PRO   2           HD2      PRO   2  -3.446  14.209  18.337
   14    HD3  PRO   2           HD1      PRO   2  -2.169  14.363  19.562
   15    HA   PRO   3           HA       PRO   3  -1.623  19.113  14.417
   16    HB2  PRO   3           HB2      PRO   3   0.798  19.926  13.585
   17    HB3  PRO   3           HB1      PRO   3   0.019  20.622  15.011
   18    HG2  PRO   3           HG2      PRO   3   2.153  18.528  14.850
   19    HG3  PRO   3           HG1      PRO   3   2.026  19.914  15.949
   20    HD2  PRO   3           HD2      PRO   3   1.333  17.371  16.654
   21    HD3  PRO   3           HD1      PRO   3   0.589  18.817  17.364
   22    H    VAL   4           HN       VAL   4  -2.158  18.422  12.526
   23    HA   VAL   4           HA       VAL   4  -1.233  16.027  11.443
   24    HB   VAL   4           HB       VAL   4  -2.444  17.896   9.538
   25   HG11  VAL   4          HG11      VAL   4  -2.890  15.105  10.501
   26   HG12  VAL   4          HG12      VAL   4  -2.490  15.682   8.887
   27   HG13  VAL   4          HG13      VAL   4  -4.115  15.911   9.523
   28   HG21  VAL   4          HG21      VAL   4  -3.641  18.869  11.285
   29   HG22  VAL   4          HG22      VAL   4  -3.785  17.345  12.160
   30   HG23  VAL   4          HG23      VAL   4  -4.724  17.610  10.692
   31    H    CYS   5           HN       CYS   5   0.964  16.085  11.188
   32    HA   CYS   5           HA       CYS   5   2.368  18.223   9.965
   33    HB2  CYS   5           HB2      CYS   5   3.776  15.717   9.600
   34    HB3  CYS   5           HB1      CYS   5   4.206  17.093  10.600
   35    H    GLY   6           HN       GLY   6   1.586  18.813   8.027
   36    HA2  GLY   6           HA2      GLY   6   1.789  18.728   5.683
   37    HA3  GLY   6           HA1      GLY   6   2.079  16.997   5.792
   38    H    ASN   7           HN       ASN   7  -0.553  18.317   7.593
   39    HA   ASN   7           HA       ASN   7  -2.806  18.066   7.472
   40    HB2  ASN   7           HB2      ASN   7  -2.027  18.541   4.632
   41    HB3  ASN   7           HB1      ASN   7  -3.644  17.898   4.917
   42   HD21  ASN   7          HD21      ASN   7  -5.204  19.240   5.562
   43   HD22  ASN   7          HD22      ASN   7  -4.977  20.903   5.968
   44    H    LYS   8           HN       LYS   8  -4.205  16.361   7.623
   45    HA   LYS   8           HA       LYS   8  -3.267  13.785   7.555
   46    HB2  LYS   8           HB2      LYS   8  -5.371  13.109   8.158
   47    HB3  LYS   8           HB1      LYS   8  -5.498  14.825   8.507
   48    HG2  LYS   8           HG2      LYS   8  -7.470  14.398   7.404
   49    HG3  LYS   8           HG1      LYS   8  -6.444  14.992   6.098
   50    HD2  LYS   8           HD2      LYS   8  -7.030  13.124   5.008
   51    HD3  LYS   8           HD1      LYS   8  -5.926  12.287   6.102
   52    HE2  LYS   8           HE2      LYS   8  -7.813  11.050   6.444
   53    HE3  LYS   8           HE1      LYS   8  -8.048  12.291   7.675
   54    HZ1  LYS   8           HZ1      LYS   8  -9.465  11.882   5.152
   55    HZ2  LYS   8           HZ2      LYS   8  -9.248  13.477   5.671
   56    HZ3  LYS   8           HZ3      LYS   8 -10.060  12.370   6.660
   57    H    ILE   9           HN       ILE   9  -2.511  12.616   5.932
   58    HA   ILE   9           HA       ILE   9  -2.813  13.242   3.238
   59    HB   ILE   9           HB       ILE   9  -2.273  10.789   2.766
   60   HG12  ILE   9          HG12      ILE   9  -1.142   9.780   4.889
   61   HG13  ILE   9          HG11      ILE   9  -2.266  10.812   5.765
   62   HG21  ILE   9          HG21      ILE   9  -0.509  12.593   4.374
   63   HG22  ILE   9          HG22      ILE   9  -0.586  12.436   2.624
   64   HG23  ILE   9          HG23      ILE   9   0.082  11.128   3.602
   65   HD11  ILE   9          HD11      ILE   9  -2.731   8.260   4.747
   66   HD12  ILE   9          HD12      ILE   9  -3.649   9.360   3.720
   67   HD13  ILE   9          HD13      ILE   9  -3.905   9.362   5.464
   68    H    LEU  10           HN       LEU  10  -4.376  13.099   1.843
   69    HA   LEU  10           HA       LEU  10  -6.837  11.808   2.634
   70    HB2  LEU  10           HB2      LEU  10  -7.746  12.969   0.592
   71    HB3  LEU  10           HB1      LEU  10  -7.135  14.007   1.867
   72    HG   LEU  10           HG       LEU  10  -6.595  14.522  -0.635
   73   HD11  LEU  10          HD11      LEU  10  -5.502  15.263   1.773
   74   HD12  LEU  10          HD12      LEU  10  -5.193  16.023   0.212
   75   HD13  LEU  10          HD13      LEU  10  -4.097  14.783   0.821
   76   HD21  LEU  10          HD21      LEU  10  -5.675  12.379  -1.244
   77   HD22  LEU  10          HD22      LEU  10  -4.458  12.504   0.024
   78   HD23  LEU  10          HD23      LEU  10  -4.422  13.614  -1.345
   79    H    GLU  11           HN       GLU  11  -4.286  10.520   1.388
   80    HA   GLU  11           HA       GLU  11  -5.462   8.258   0.323
   81    HB2  GLU  11           HB2      GLU  11  -5.144   8.486  -2.086
   82    HB3  GLU  11           HB1      GLU  11  -6.266   9.702  -1.496
   83    HG2  GLU  11           HG2      GLU  11  -5.032  11.164  -2.626
   84    HG3  GLU  11           HG1      GLU  11  -3.850  10.985  -1.329
   85    H    GLN  12           HN       GLN  12  -3.109   9.104   1.861
   86    HA   GLN  12           HA       GLN  12  -0.993   7.961   0.165
   87    HB2  GLN  12           HB2      GLN  12  -0.582   9.662   2.612
   88    HB3  GLN  12           HB1      GLN  12   0.639   9.141   1.469
   89    HG2  GLN  12           HG2      GLN  12  -1.598  11.088   0.962
   90    HG3  GLN  12           HG1      GLN  12   0.121  11.453   1.100
   91   HE21  GLN  12          HE21      GLN  12   0.856  12.019  -0.809
   92   HE22  GLN  12          HE22      GLN  12   0.524  11.226  -2.307
   93    H    GLY  13           HN       GLY  13  -1.086   8.323   3.685
   94    HA2  GLY  13           HA2      GLY  13  -0.995   6.747   5.371
   95    HA3  GLY  13           HA1      GLY  13  -1.507   5.540   4.198
   96    H    GLU  14           HN       GLU  14   1.229   7.455   3.427
   97    HA   GLU  14           HA       GLU  14   3.454   6.510   4.514
   98    HB2  GLU  14           HB2      GLU  14   2.182   4.296   3.040
   99    HB3  GLU  14           HB1      GLU  14   3.881   4.553   2.670
  100    HG2  GLU  14           HG2      GLU  14   4.555   4.118   4.850
  101    HG3  GLU  14           HG1      GLU  14   2.933   4.350   5.498
  102    H    ASP  15           HN       ASP  15   1.736   7.133   1.596
  103    HA   ASP  15           HA       ASP  15   3.760   7.447  -0.256
  104    HB2  ASP  15           HB2      ASP  15   1.032   7.984  -0.135
  105    HB3  ASP  15           HB1      ASP  15   1.762   9.558  -0.435
  106    H    CYS  16           HN       CYS  16   2.317  10.069   1.706
  107    HA   CYS  16           HA       CYS  16   4.615  11.211   2.662
  108    HB2  CYS  16           HB2      CYS  16   5.634  11.729   0.686
  109    HB3  CYS  16           HB1      CYS  16   4.116  11.848  -0.192
  110    H    ASP  17           HN       ASP  17   4.324  13.348   3.526
  111    HA   ASP  17           HA       ASP  17   3.166  14.952   4.629
  112    HB2  ASP  17           HB2      ASP  17   1.700  14.676   2.052
  113    HB3  ASP  17           HB1      ASP  17   0.915  15.588   3.339
  114    H    CYS  18           HN       CYS  18   2.672  12.112   5.166
  115    HA   CYS  18           HA       CYS  18   0.307  11.064   5.569
  116    HB2  CYS  18           HB2      CYS  18   2.719  11.029   7.072
  117    HB3  CYS  18           HB1      CYS  18   1.373  11.086   8.209
  118    H    GLY  19           HN       GLY  19   1.360  13.908   7.400
  119    HA2  GLY  19           HA2      GLY  19   0.102  15.488   8.519
  120    HA3  GLY  19           HA1      GLY  19  -1.302  14.824   7.708
  121    H    SER  20           HN       SER  20  -2.016  12.626   8.585
  122    HA   SER  20           HA       SER  20  -2.866  12.922  11.182
  123    HB2  SER  20           HB2      SER  20  -3.700  10.743  11.065
  124    HB3  SER  20           HB1      SER  20  -3.640  11.255   9.380
  125    HG   SER  20           HG       SER  20  -1.974   9.935   9.015
  126    HA   PRO  21           HA       PRO  21   1.136  12.666  13.220
  127    HB2  PRO  21           HB2      PRO  21  -0.804  12.649  15.495
  128    HB3  PRO  21           HB1      PRO  21   0.685  13.582  15.292
  129    HG2  PRO  21           HG2      PRO  21  -1.676  14.740  14.912
  130    HG3  PRO  21           HG1      PRO  21  -0.309  15.104  13.842
  131    HD2  PRO  21           HD2      PRO  21  -2.708  13.406  13.337
  132    HD3  PRO  21           HD1      PRO  21  -1.802  14.430  12.211
  133    H    ALA  22           HN       ALA  22  -1.634  10.566  13.601
  134    HA   ALA  22           HA       ALA  22  -0.595   8.649  15.331
  135    HB1  ALA  22           HB1      ALA  22  -2.798   8.240  14.906
  136    HB2  ALA  22           HB2      ALA  22  -2.081   7.082  13.786
  137    HB3  ALA  22           HB3      ALA  22  -2.657   8.641  13.194
  138    H    ASN  23           HN       ASN  23   0.261   9.424  12.089
  139    HA   ASN  23           HA       ASN  23   2.106   7.137  12.032
  140    HB2  ASN  23           HB2      ASN  23   0.512   8.271   9.725
  141    HB3  ASN  23           HB1      ASN  23   1.805   7.088   9.554
  142   HD21  ASN  23          HD21      ASN  23  -0.269   6.139   8.508
  143   HD22  ASN  23          HD22      ASN  23  -1.166   5.067   9.523
  144    H    CYS  24           HN       CYS  24   2.348  10.055  12.799
  145    HA   CYS  24           HA       CYS  24   4.155  11.068  10.748
  146    HB2  CYS  24           HB2      CYS  24   2.438  12.518  11.946
  147    HB3  CYS  24           HB1      CYS  24   3.460  12.394  13.373
  148    H    GLN  25           HN       GLN  25   5.757   9.440  11.004
  149    HA   GLN  25           HA       GLN  25   7.770   8.673  11.722
  150    HB2  GLN  25           HB2      GLN  25   7.623  11.365  12.993
  151    HB3  GLN  25           HB1      GLN  25   8.880  10.264  13.540
  152    HG2  GLN  25           HG2      GLN  25   9.542  10.009  11.123
  153    HG3  GLN  25           HG1      GLN  25   8.450  11.347  10.773
  154   HE21  GLN  25          HE21      GLN  25   8.914  12.893  13.049
  155   HE22  GLN  25          HE22      GLN  25  10.525  13.515  12.973
  156    H    ASP  26           HN       ASP  26   6.288   7.008  12.697
  157    HA   ASP  26           HA       ASP  26   7.180   6.319  15.265
  158    HB2  ASP  26           HB2      ASP  26   5.668   8.143  15.971
  159    HB3  ASP  26           HB1      ASP  26   4.322   7.308  15.200
  160    H    ARG  27           HN       ARG  27   4.590   5.985  12.880
  161    HA   ARG  27           HA       ARG  27   4.244   3.183  13.629
  162    HB2  ARG  27           HB2      ARG  27   2.197   4.414  13.350
  163    HB3  ARG  27           HB1      ARG  27   2.689   4.974  11.759
  164    HG2  ARG  27           HG2      ARG  27   2.112   3.037  10.747
  165    HG3  ARG  27           HG1      ARG  27   2.562   2.048  12.138
  166    HD2  ARG  27           HD2      ARG  27   0.530   2.922  13.308
  167    HD3  ARG  27           HD1      ARG  27   0.059   3.690  11.792
  168    HE   ARG  27           HE       ARG  27   0.571   0.872  11.551
  169   HH11  ARG  27          HH11      ARG  27  -1.824   3.289  12.328
  170   HH12  ARG  27          HH12      ARG  27  -3.165   2.262  11.949
  171   HH21  ARG  27          HH21      ARG  27  -1.192  -0.480  11.050
  172   HH22  ARG  27          HH22      ARG  27  -2.807   0.122  11.224
  173    H    CYS  28           HN       CYS  28   3.846   4.355  10.333
  174    HA   CYS  28           HA       CYS  28   6.271   3.009   9.455
  175    HB2  CYS  28           HB2      CYS  28   4.112   1.454   9.577
  176    HB3  CYS  28           HB1      CYS  28   3.786   2.210   8.022
  177    H    CYS  29           HN       CYS  29   4.836   5.741   9.410
  178    HA   CYS  29           HA       CYS  29   5.473   6.311   6.613
  179    HB2  CYS  29           HB2      CYS  29   3.135   6.046   6.440
  180    HB3  CYS  29           HB1      CYS  29   2.843   6.859   7.969
  181    H    ASN  30           HN       ASN  30   5.816   8.558   6.173
  182    HA   ASN  30           HA       ASN  30   6.711  10.059   8.546
  183    HB2  ASN  30           HB2      ASN  30   7.804   9.880   5.750
  184    HB3  ASN  30           HB1      ASN  30   8.214  11.198   6.827
  185   HD21  ASN  30          HD21      ASN  30   8.583  10.125   9.196
  186   HD22  ASN  30          HD22      ASN  30   9.826   8.925   9.177
  187    H    ALA  31           HN       ALA  31   5.125  11.384   9.009
  188    HA   ALA  31           HA       ALA  31   3.654  12.817   6.968
  189    HB1  ALA  31           HB1      ALA  31   2.133  12.737   8.611
  190    HB2  ALA  31           HB2      ALA  31   3.060  13.994   9.416
  191    HB3  ALA  31           HB3      ALA  31   3.343  12.304   9.806
  192    H    ALA  32           HN       ALA  32   6.448  13.167   8.902
  193    HA   ALA  32           HA       ALA  32   6.624  16.054   8.353
  194    HB1  ALA  32           HB1      ALA  32   8.308  16.149  10.060
  195    HB2  ALA  32           HB2      ALA  32   8.363  14.389  10.168
  196    HB3  ALA  32           HB3      ALA  32   6.923  15.261  10.698
  197    H    THR  33           HN       THR  33   7.798  13.006   7.384
  198    HA   THR  33           HA       THR  33  10.125  14.209   6.074
  199    HB   THR  33           HB       THR  33  10.024  11.320   5.944
  200    HG1  THR  33           HG1      THR  33   9.995  12.501   8.526
  201   HG21  THR  33          HG21      THR  33  12.190  11.413   6.730
  202   HG22  THR  33          HG22      THR  33  11.916  12.938   7.573
  203   HG23  THR  33          HG23      THR  33  12.018  12.909   5.812
  204    H    CYS  34           HN       CYS  34   7.056  13.683   5.330
  205    HA   CYS  34           HA       CYS  34   5.858  13.245   3.453
  206    HB2  CYS  34           HB2      CYS  34   6.799  15.321   2.798
  207    HB3  CYS  34           HB1      CYS  34   8.336  14.577   2.383
  208    H    LYS  35           HN       LYS  35   6.812  10.849   4.208
  209    HA   LYS  35           HA       LYS  35   6.776   9.386   1.822
  210    HB2  LYS  35           HB2      LYS  35   9.380  10.336   2.558
  211    HB3  LYS  35           HB1      LYS  35   9.340   8.579   2.644
  212    HG2  LYS  35           HG2      LYS  35   8.063   9.602   0.246
  213    HG3  LYS  35           HG1      LYS  35   9.753  10.093   0.382
  214    HD2  LYS  35           HD2      LYS  35   9.316   7.297   1.075
  215    HD3  LYS  35           HD1      LYS  35   8.839   7.679  -0.580
  216    HE2  LYS  35           HE2      LYS  35  10.969   8.175  -1.226
  217    HE3  LYS  35           HE1      LYS  35  11.439   8.737   0.378
  218    HZ1  LYS  35           HZ1      LYS  35  11.940   6.636   1.069
  219    HZ2  LYS  35           HZ2      LYS  35  12.326   6.485  -0.571
  220    HZ3  LYS  35           HZ3      LYS  35  10.853   5.888   0.010
  221    H    LEU  36           HN       LEU  36   7.733   7.063   2.239
  222    HA   LEU  36           HA       LEU  36   6.399   6.108   4.633
  223    HB2  LEU  36           HB2      LEU  36   6.945   3.855   3.723
  224    HB3  LEU  36           HB1      LEU  36   6.001   4.852   2.633
  225    HG   LEU  36           HG       LEU  36   8.920   4.997   2.241
  226   HD11  LEU  36          HD11      LEU  36   7.390   2.482   1.588
  227   HD12  LEU  36          HD12      LEU  36   8.692   2.631   2.768
  228   HD13  LEU  36          HD13      LEU  36   9.026   2.865   1.052
  229   HD21  LEU  36          HD21      LEU  36   6.830   5.895   0.864
  230   HD22  LEU  36          HD22      LEU  36   6.978   4.307   0.111
  231   HD23  LEU  36          HD23      LEU  36   8.342   5.426   0.087
  232    H    THR  37           HN       THR  37   7.481   4.652   6.167
  233    HA   THR  37           HA       THR  37  10.247   5.518   6.583
  234    HB   THR  37           HB       THR  37   9.875   4.465   8.881
  235    HG1  THR  37           HG1      THR  37   7.637   4.298   9.425
  236   HG21  THR  37          HG21      THR  37   8.512   6.889   7.858
  237   HG22  THR  37          HG22      THR  37   9.809   6.729   9.043
  238   HG23  THR  37          HG23      THR  37   8.149   6.338   9.494
  239    HA   PRO  38           HA       PRO  38  12.544   1.868   5.795
  240    HB2  PRO  38           HB2      PRO  38  12.928   1.716   8.765
  241    HB3  PRO  38           HB1      PRO  38  14.119   1.523   7.471
  242    HG2  PRO  38           HG2      PRO  38  13.957   3.808   8.815
  243    HG3  PRO  38           HG1      PRO  38  14.240   3.807   7.064
  244    HD2  PRO  38           HD2      PRO  38  11.792   4.519   8.583
  245    HD3  PRO  38           HD1      PRO  38  12.355   5.106   7.006
  246    H    GLY  39           HN       GLY  39  12.240  -0.321   5.693
  247    HA2  GLY  39           HA2      GLY  39  11.401  -2.416   6.328
  248    HA3  GLY  39           HA1      GLY  39  10.477  -1.635   7.603
  249    H    SER  40           HN       SER  40   9.697   0.321   5.261
  250    HA   SER  40           HA       SER  40   7.301  -1.181   4.564
  251    HB2  SER  40           HB2      SER  40   6.752   0.972   5.340
  252    HB3  SER  40           HB1      SER  40   8.061   1.731   4.435
  253    HG   SER  40           HG       SER  40   5.523   0.986   3.609
  254    H    GLN  41           HN       GLN  41   7.486  -2.434   2.818
  255    HA   GLN  41           HA       GLN  41   9.312  -1.898   0.690
  256    HB2  GLN  41           HB2      GLN  41   7.017  -3.864   0.852
  257    HB3  GLN  41           HB1      GLN  41   8.241  -3.843  -0.409
  258    HG2  GLN  41           HG2      GLN  41   9.861  -4.007   1.681
  259    HG3  GLN  41           HG1      GLN  41   8.429  -4.733   2.410
  260   HE21  GLN  41          HE21      GLN  41  11.203  -5.513   1.024
  261   HE22  GLN  41          HE22      GLN  41  10.777  -6.989   0.234
  262    H    CYS  42           HN       CYS  42   6.025  -1.080   1.352
  263    HA   CYS  42           HA       CYS  42   5.911   0.592  -0.990
  264    HB2  CYS  42           HB2      CYS  42   5.178  -1.553  -1.924
  265    HB3  CYS  42           HB1      CYS  42   3.947  -1.686  -0.672
  266    H    ASN  43           HN       ASN  43   4.533   2.291  -0.733
  267    HA   ASN  43           HA       ASN  43   3.586   2.824   1.897
  268    HB2  ASN  43           HB2      ASN  43   2.605   4.886   0.805
  269    HB3  ASN  43           HB1      ASN  43   4.341   4.683   0.593
  270   HD21  ASN  43          HD21      ASN  43   5.070   4.988  -1.374
  271   HD22  ASN  43          HD22      ASN  43   4.165   4.825  -2.836
  272    H    TYR  44           HN       TYR  44   2.099   1.888  -1.131
  273    HA   TYR  44           HA       TYR  44  -0.062   0.555   0.018
  274    HB2  TYR  44           HB2      TYR  44  -1.921   2.029  -0.332
  275    HB3  TYR  44           HB1      TYR  44  -0.736   2.910   0.627
  276    HD1  TYR  44           HD2      TYR  44  -1.870   2.425  -2.889
  277    HD2  TYR  44           HD1      TYR  44  -0.032   5.016  -0.060
  278    HE1  TYR  44           HE2      TYR  44  -1.884   4.231  -4.549
  279    HE2  TYR  44           HE1      TYR  44  -0.038   6.836  -1.706
  280    HH   TYR  44           HH       TYR  44  -0.079   7.009  -4.263
  281    H    GLY  45           HN       GLY  45  -1.742  -0.016  -1.665
  282    HA2  GLY  45           HA2      GLY  45  -1.980   0.386  -4.229
  283    HA3  GLY  45           HA1      GLY  45  -0.362  -0.297  -4.238
  284    H    GLU  46           HN       GLU  46  -1.661  -1.752  -5.735
  285    HA   GLU  46           HA       GLU  46  -3.556  -3.566  -4.796
  286    HB2  GLU  46           HB2      GLU  46  -1.566  -3.621  -7.036
  287    HB3  GLU  46           HB1      GLU  46  -2.561  -5.028  -6.697
  288    HG2  GLU  46           HG2      GLU  46  -4.483  -4.023  -7.387
  289    HG3  GLU  46           HG1      GLU  46  -3.916  -2.406  -6.969
  290    H    CYS  47           HN       CYS  47  -0.018  -3.862  -4.943
  291    HA   CYS  47           HA       CYS  47  -0.204  -6.348  -3.381
  292    HB2  CYS  47           HB2      CYS  47   1.750  -5.244  -5.323
  293    HB3  CYS  47           HB1      CYS  47   2.395  -6.235  -4.023
  294    H    CYS  48           HN       CYS  48  -0.474  -3.605  -2.220
  295    HA   CYS  48           HA       CYS  48   1.879  -3.714  -0.445
  296    HB2  CYS  48           HB2      CYS  48   0.252  -1.225  -0.882
  297    HB3  CYS  48           HB1      CYS  48   1.893  -1.375  -0.259
  298    H    ASP  49           HN       ASP  49   1.536  -4.101   1.627
  299    HA   ASP  49           HA       ASP  49  -1.012  -3.387   2.853
  300    HB2  ASP  49           HB2      ASP  49  -0.753  -5.916   1.931
  301    HB3  ASP  49           HB1      ASP  49  -0.058  -6.106   3.537
  302    H    GLN  50           HN       GLN  50  -0.594  -2.367   4.674
  303    HA   GLN  50           HA       GLN  50   0.354  -1.699   6.618
  304    HB2  GLN  50           HB2      GLN  50   0.129  -4.010   7.323
  305    HB3  GLN  50           HB1      GLN  50   1.626  -4.440   6.511
  306    HG2  GLN  50           HG2      GLN  50   1.997  -4.262   8.880
  307    HG3  GLN  50           HG1      GLN  50   2.861  -2.973   8.043
  308   HE21  GLN  50          HE21      GLN  50   1.877  -0.849   8.038
  309   HE22  GLN  50          HE22      GLN  50   0.901  -0.364   9.379
  310    H    CYS  51           HN       CYS  51   3.128  -3.654   5.609
  311    HA   CYS  51           HA       CYS  51   4.566  -1.319   4.670
  312    HB2  CYS  51           HB2      CYS  51   5.691  -2.865   7.008
  313    HB3  CYS  51           HB1      CYS  51   6.348  -1.409   6.271
  314    H    ARG  52           HN       ARG  52   3.713  -4.034   3.707
  315    HA   ARG  52           HA       ARG  52   6.247  -4.729   2.481
  316    HB2  ARG  52           HB2      ARG  52   4.874  -6.455   4.475
  317    HB3  ARG  52           HB1      ARG  52   5.553  -7.245   3.059
  318    HG2  ARG  52           HG2      ARG  52   7.390  -5.355   4.286
  319    HG3  ARG  52           HG1      ARG  52   6.891  -6.646   5.380
  320    HD2  ARG  52           HD2      ARG  52   7.788  -8.306   4.037
  321    HD3  ARG  52           HD1      ARG  52   7.747  -7.297   2.592
  322    HE   ARG  52           HE       ARG  52   9.803  -6.452   3.156
  323   HH11  ARG  52          HH11      ARG  52   8.480  -8.161   5.897
  324   HH12  ARG  52          HH12      ARG  52   9.949  -8.085   6.811
  325   HH21  ARG  52          HH21      ARG  52  11.735  -6.352   4.357
  326   HH22  ARG  52          HH22      ARG  52  11.796  -7.058   5.937
  327    H    PHE  53           HN       PHE  53   5.941  -6.466   0.789
  328    HA   PHE  53           HA       PHE  53   3.673  -5.783  -0.802
  329    HB2  PHE  53           HB2      PHE  53   5.955  -7.710  -1.173
  330    HB3  PHE  53           HB1      PHE  53   4.609  -7.664  -2.308
  331    HD1  PHE  53           HD1      PHE  53   4.127  -4.687  -2.253
  332    HD2  PHE  53           HD2      PHE  53   7.698  -6.976  -2.568
  333    HE1  PHE  53           HE1      PHE  53   5.187  -2.844  -3.464
  334    HE2  PHE  53           HE2      PHE  53   8.775  -5.126  -3.783
  335    HZ   PHE  53           HZ       PHE  53   7.520  -3.055  -4.233
  336    H    LYS  54           HN       LYS  54   1.869  -6.969  -1.294
  337    HA   LYS  54           HA       LYS  54   0.908  -8.761   0.652
  338    HB2  LYS  54           HB2      LYS  54  -0.055  -7.593  -1.828
  339    HB3  LYS  54           HB1      LYS  54  -0.586  -9.260  -1.655
  340    HG2  LYS  54           HG2      LYS  54  -1.903  -8.804   0.140
  341    HG3  LYS  54           HG1      LYS  54  -0.884  -7.472   0.690
  342    HD2  LYS  54           HD2      LYS  54  -1.789  -6.530  -1.705
  343    HD3  LYS  54           HD1      LYS  54  -3.175  -7.465  -1.141
  344    HE2  LYS  54           HE2      LYS  54  -3.056  -6.243   1.014
  345    HE3  LYS  54           HE1      LYS  54  -1.762  -5.252   0.342
  346    HZ1  LYS  54           HZ1      LYS  54  -3.969  -4.200   0.210
  347    HZ2  LYS  54           HZ2      LYS  54  -4.494  -5.447  -0.804
  348    HZ3  LYS  54           HZ3      LYS  54  -3.258  -4.410  -1.312
  349    H    LYS  55           HN       LYS  55   2.378 -10.413   0.934
  350    HA   LYS  55           HA       LYS  55   3.852 -12.007  -0.470
  351    HB2  LYS  55           HB2      LYS  55   3.072 -12.487   1.857
  352    HB3  LYS  55           HB1      LYS  55   1.641 -13.244   1.172
  353    HG2  LYS  55           HG2      LYS  55   3.142 -14.986   1.694
  354    HG3  LYS  55           HG1      LYS  55   3.187 -14.799  -0.061
  355    HD2  LYS  55           HD2      LYS  55   5.195 -13.244   0.375
  356    HD3  LYS  55           HD1      LYS  55   5.233 -13.985   1.977
  357    HE2  LYS  55           HE2      LYS  55   5.456 -16.190   0.960
  358    HE3  LYS  55           HE1      LYS  55   5.382 -15.468  -0.646
  359    HZ1  LYS  55           HZ1      LYS  55   7.616 -15.592  -0.399
  360    HZ2  LYS  55           HZ2      LYS  55   7.568 -15.478   1.288
  361    HZ3  LYS  55           HZ3      LYS  55   7.386 -14.088   0.342
  362    H    ALA  56           HN       ALA  56   3.890 -13.195  -2.271
  363    HA   ALA  56           HA       ALA  56   2.030 -13.184  -4.223
  364    HB1  ALA  56           HB1      ALA  56   4.146 -15.173  -3.550
  365    HB2  ALA  56           HB2      ALA  56   4.046 -14.050  -4.907
  366    HB3  ALA  56           HB3      ALA  56   3.031 -15.494  -4.880
  367    H    GLY  57           HN       GLY  57   0.254 -14.285  -4.809
  368    HA2  GLY  57           HA2      GLY  57  -1.218 -16.199  -4.670
  369    HA3  GLY  57           HA1      GLY  57  -0.662 -16.449  -3.019
  370    H    THR  58           HN       THR  58  -0.873 -13.302  -2.979
  371    HA   THR  58           HA       THR  58  -3.491 -13.278  -1.771
  372    HB   THR  58           HB       THR  58  -1.463 -11.070  -2.215
  373    HG1  THR  58           HG1      THR  58  -0.706 -12.563  -0.744
  374   HG21  THR  58          HG21      THR  58  -4.156 -10.806  -1.534
  375   HG22  THR  58          HG22      THR  58  -2.880  -9.589  -1.408
  376   HG23  THR  58          HG23      THR  58  -3.253 -10.624  -0.028
  377    H    VAL  59           HN       VAL  59  -5.263 -13.084  -3.005
  378    HA   VAL  59           HA       VAL  59  -5.149 -12.120  -5.676
  379    HB   VAL  59           HB       VAL  59  -6.796 -13.812  -5.014
  380   HG11  VAL  59          HG11      VAL  59  -8.605 -11.883  -3.730
  381   HG12  VAL  59          HG12      VAL  59  -7.190 -12.345  -2.783
  382   HG13  VAL  59          HG13      VAL  59  -8.306 -13.582  -3.362
  383   HG21  VAL  59          HG21      VAL  59  -8.857 -12.125  -5.786
  384   HG22  VAL  59          HG22      VAL  59  -7.800 -13.052  -6.850
  385   HG23  VAL  59          HG23      VAL  59  -7.407 -11.378  -6.458
  386    H    CYS  60           HN       CYS  60  -5.020 -10.054  -6.261
  387    HA   CYS  60           HA       CYS  60  -6.105  -8.008  -4.457
  388    HB2  CYS  60           HB2      CYS  60  -4.336  -7.511  -6.839
  389    HB3  CYS  60           HB1      CYS  60  -4.657  -6.434  -5.487
  390    H    ARG  61           HN       ARG  61  -6.537  -9.422  -7.586
  391    HA   ARG  61           HA       ARG  61  -8.893  -7.762  -8.014
  392    HB2  ARG  61           HB2      ARG  61  -6.490  -7.201  -9.344
  393    HB3  ARG  61           HB1      ARG  61  -7.479  -8.046 -10.527
  394    HG2  ARG  61           HG2      ARG  61  -9.303  -6.330  -9.604
  395    HG3  ARG  61           HG1      ARG  61  -7.848  -5.389  -9.286
  396    HD2  ARG  61           HD2      ARG  61  -9.057  -6.224 -11.869
  397    HD3  ARG  61           HD1      ARG  61  -8.313  -4.694 -11.416
  398    HE   ARG  61           HE       ARG  61  -7.062  -6.795 -12.786
  399   HH11  ARG  61          HH11      ARG  61  -6.420  -4.542 -10.195
  400   HH12  ARG  61          HH12      ARG  61  -4.705  -4.591 -10.415
  401   HH21  ARG  61          HH21      ARG  61  -4.811  -6.861 -13.070
  402   HH22  ARG  61          HH22      ARG  61  -3.790  -5.903 -12.049
  403    H    ILE  62           HN       ILE  62  -9.827  -8.521 -10.324
  404    HA   ILE  62           HA       ILE  62  -9.476 -11.139 -11.191
  405    HB   ILE  62           HB       ILE  62 -10.274 -11.880  -9.036
  406   HG12  ILE  62          HG12      ILE  62 -12.278 -13.178  -9.744
  407   HG13  ILE  62          HG11      ILE  62 -12.378 -12.178 -11.189
  408   HG21  ILE  62          HG21      ILE  62 -12.942 -10.628  -9.426
  409   HG22  ILE  62          HG22      ILE  62 -11.626  -9.641  -8.788
  410   HG23  ILE  62          HG23      ILE  62 -12.124 -11.104  -7.936
  411   HD11  ILE  62          HD11      ILE  62 -10.030 -12.970 -11.716
  412   HD12  ILE  62          HD12      ILE  62 -11.324 -14.159 -11.854
  413   HD13  ILE  62          HD13      ILE  62 -10.265 -14.168 -10.444
  414    H    ALA  63           HN       ALA  63 -10.535 -11.403 -13.054
  415    HA   ALA  63           HA       ALA  63 -11.869  -9.229 -14.207
  416    HB1  ALA  63           HB1      ALA  63 -11.241 -10.342 -16.010
  417    HB2  ALA  63           HB2      ALA  63 -12.549 -11.485 -15.724
  418    HB3  ALA  63           HB3      ALA  63 -10.943 -11.797 -15.062
  419    H    ARG  64           HN       ARG  64 -13.616 -12.245 -14.557
  420    HA   ARG  64           HA       ARG  64 -15.760 -11.268 -12.833
  421    HB2  ARG  64           HB2      ARG  64 -15.965 -11.686 -15.797
  422    HB3  ARG  64           HB1      ARG  64 -17.374 -11.914 -14.769
  423    HG2  ARG  64           HG2      ARG  64 -15.754  -9.391 -15.044
  424    HG3  ARG  64           HG1      ARG  64 -17.364  -9.687 -15.703
  425    HD2  ARG  64           HD2      ARG  64 -16.549  -9.429 -12.820
  426    HD3  ARG  64           HD1      ARG  64 -17.674  -8.420 -13.729
  427    HE   ARG  64           HE       ARG  64 -18.266 -10.863 -12.388
  428   HH11  ARG  64          HH11      ARG  64 -19.132  -8.918 -15.153
  429   HH12  ARG  64          HH12      ARG  64 -20.741  -9.550 -15.251
  430   HH21  ARG  64          HH21      ARG  64 -20.381 -11.696 -12.515
  431   HH22  ARG  64          HH22      ARG  64 -21.451 -11.127 -13.754
  432    H    GLY  65           HN       GLY  65 -15.214 -13.067 -11.496
  433    HA2  GLY  65           HA2      GLY  65 -16.530 -15.166 -11.087
  434    HA3  GLY  65           HA1      GLY  65 -15.954 -15.673 -12.669
  435    H    ASP  66           HN       ASP  66 -14.068 -16.703 -12.828
  436    HA   ASP  66           HA       ASP  66 -11.846 -16.388 -11.202
  437    HB2  ASP  66           HB2      ASP  66 -13.766 -17.613  -9.711
  438    HB3  ASP  66           HB1      ASP  66 -12.938 -19.010 -10.393
  439    H    TRP  67           HN       TRP  67 -10.807 -16.587 -13.131
  440    HA   TRP  67           HA       TRP  67 -10.721 -19.291 -14.303
  441    HB2  TRP  67           HB2      TRP  67  -9.730 -17.450 -16.202
  442    HB3  TRP  67           HB1      TRP  67 -11.232 -18.363 -16.280
  443    HD1  TRP  67           HD1      TRP  67 -10.046 -14.990 -14.699
  444    HE1  TRP  67           HE1      TRP  67 -11.973 -13.322 -14.923
  445    HE3  TRP  67           HE3      TRP  67 -13.509 -18.040 -16.880
  446    HZ2  TRP  67           HZ2      TRP  67 -14.606 -13.283 -15.907
  447    HZ3  TRP  67           HZ3      TRP  67 -15.718 -17.105 -17.442
  448    HH2  TRP  67           HH2      TRP  67 -16.254 -14.770 -16.964
  449    H    ASN  68           HN       ASN  68  -8.829 -16.331 -14.493
  450    HA   ASN  68           HA       ASN  68  -6.370 -17.868 -14.029
  451    HB2  ASN  68           HB2      ASN  68  -6.368 -15.024 -14.951
  452    HB3  ASN  68           HB1      ASN  68  -5.218 -16.310 -15.300
  453   HD21  ASN  68          HD21      ASN  68  -8.530 -15.246 -15.943
  454   HD22  ASN  68          HD22      ASN  68  -8.634 -15.934 -17.524
  455    H    ASP  69           HN       ASP  69  -8.305 -15.173 -12.953
  456    HA   ASP  69           HA       ASP  69  -8.354 -14.027 -10.987
  457    HB2  ASP  69           HB2      ASP  69  -6.165 -15.849 -10.031
  458    HB3  ASP  69           HB1      ASP  69  -7.292 -14.920  -9.049
  459    H    ASP  70           HN       ASP  70  -6.910 -12.794  -9.451
  460    HA   ASP  70           HA       ASP  70  -4.494 -11.869 -10.830
  461    HB2  ASP  70           HB2      ASP  70  -6.380 -10.219 -11.010
  462    HB3  ASP  70           HB1      ASP  70  -6.389 -10.125  -9.255
  463    H    TYR  71           HN       TYR  71  -2.824 -12.495  -9.642
  464    HA   TYR  71           HA       TYR  71  -3.101 -12.288  -6.721
  465    HB2  TYR  71           HB2      TYR  71  -1.932 -14.486  -8.385
  466    HB3  TYR  71           HB1      TYR  71  -1.518 -14.282  -6.684
  467    HD1  TYR  71           HD2      TYR  71  -3.383 -14.242  -5.017
  468    HD2  TYR  71           HD1      TYR  71  -3.908 -15.591  -9.001
  469    HE1  TYR  71           HE2      TYR  71  -5.394 -15.437  -4.315
  470    HE2  TYR  71           HE1      TYR  71  -5.937 -16.798  -8.343
  471    HH   TYR  71           HH       TYR  71  -7.434 -16.339  -5.280
  472    H    CYS  72           HN       CYS  72  -1.415 -11.684  -5.523
  473    HA   CYS  72           HA       CYS  72   0.526 -10.001  -6.708
  474    HB2  CYS  72           HB2      CYS  72  -0.485  -9.924  -4.336
  475    HB3  CYS  72           HB1      CYS  72   0.728 -11.137  -3.935
  476    H    THR  73           HN       THR  73   2.897 -10.264  -6.318
  477    HA   THR  73           HA       THR  73   3.695 -13.083  -6.613
  478    HB   THR  73           HB       THR  73   5.239 -12.520  -8.298
  479    HG1  THR  73           HG1      THR  73   4.773  -9.783  -7.726
  480   HG21  THR  73          HG21      THR  73   3.283 -10.488  -9.153
  481   HG22  THR  73          HG22      THR  73   2.645 -12.094  -8.791
  482   HG23  THR  73          HG23      THR  73   3.910 -11.899 -10.007
  483    H    GLY  74           HN       GLY  74   3.777 -10.669  -4.488
  484    HA2  GLY  74           HA2      GLY  74   5.117 -10.106  -2.719
  485    HA3  GLY  74           HA1      GLY  74   5.795 -11.717  -2.893
  486    H    LYS  75           HN       LYS  75   6.053  -9.511  -5.552
  487    HA   LYS  75           HA       LYS  75   8.760  -8.739  -4.764
  488    HB2  LYS  75           HB2      LYS  75   8.212  -9.950  -7.471
  489    HB3  LYS  75           HB1      LYS  75   9.771  -9.518  -6.782
  490    HG2  LYS  75           HG2      LYS  75   8.852 -11.291  -4.941
  491    HG3  LYS  75           HG1      LYS  75   8.155 -11.933  -6.430
  492    HD2  LYS  75           HD2      LYS  75  10.374 -11.930  -7.464
  493    HD3  LYS  75           HD1      LYS  75  11.067 -11.296  -5.970
  494    HE2  LYS  75           HE2      LYS  75   9.776 -13.979  -6.418
  495    HE3  LYS  75           HE1      LYS  75  11.455 -13.646  -5.994
  496    HZ1  LYS  75           HZ1      LYS  75  10.648 -12.738  -3.866
  497    HZ2  LYS  75           HZ2      LYS  75  10.279 -14.377  -4.058
  498    HZ3  LYS  75           HZ3      LYS  75   9.075 -13.209  -4.274
  499    H    SER  76           HN       SER  76   5.965  -7.535  -5.455
  500    HA   SER  76           HA       SER  76   7.006  -5.136  -6.584
  501    HB2  SER  76           HB2      SER  76   5.553  -7.054  -8.344
  502    HB3  SER  76           HB1      SER  76   5.213  -5.335  -8.540
  503    HG   SER  76           HG       SER  76   6.948  -5.398  -9.734
  504    H    SER  77           HN       SER  77   5.268  -3.508  -6.971
  505    HA   SER  77           HA       SER  77   3.281  -3.713  -4.847
  506    HB2  SER  77           HB2      SER  77   3.616  -1.274  -6.551
  507    HB3  SER  77           HB1      SER  77   3.232  -1.393  -4.837
  508    HG   SER  77           HG       SER  77   5.339  -0.703  -5.021
  509    H    ASP  78           HN       ASP  78   3.241  -4.845  -7.796
  510    HA   ASP  78           HA       ASP  78   0.488  -3.946  -8.346
  511    HB2  ASP  78           HB2      ASP  78   0.982  -4.531 -10.752
  512    HB3  ASP  78           HB1      ASP  78   1.862  -3.139 -10.128
  513    H    CYS  79           HN       CYS  79  -0.999  -5.478  -9.026
  514    HA   CYS  79           HA       CYS  79  -0.239  -8.286  -8.519
  515    HB2  CYS  79           HB2      CYS  79  -2.264  -6.646  -7.366
  516    HB3  CYS  79           HB1      CYS  79  -3.060  -7.902  -8.306
  517    HA   PRO  80           HA       PRO  80  -1.397  -8.459 -12.921
  518    HB2  PRO  80           HB2      PRO  80  -0.406 -10.948 -13.357
  519    HB3  PRO  80           HB1      PRO  80   0.612  -9.503 -13.322
  520    HG2  PRO  80           HG2      PRO  80   0.121 -11.526 -11.167
  521    HG3  PRO  80           HG1      PRO  80   1.650 -10.788 -11.680
  522    HD2  PRO  80           HD2      PRO  80   0.304  -9.943  -9.496
  523    HD3  PRO  80           HD1      PRO  80   1.246  -8.837 -10.515
  524    H    TRP  81           HN       TRP  81  -3.356  -9.000 -13.620
  525    HA   TRP  81           HA       TRP  81  -4.884 -11.036 -12.207
  526    HB2  TRP  81           HB2      TRP  81  -6.850 -10.109 -13.333
  527    HB3  TRP  81           HB1      TRP  81  -5.965  -8.892 -12.430
  528    HD1  TRP  81           HD1      TRP  81  -3.840  -8.903 -15.231
  529    HE1  TRP  81           HE1      TRP  81  -4.590  -7.262 -17.063
  530    HE3  TRP  81           HE3      TRP  81  -8.656  -8.245 -13.770
  531    HZ2  TRP  81           HZ2      TRP  81  -6.940  -5.867 -17.781
  532    HZ3  TRP  81           HZ3      TRP  81 -10.115  -6.743 -15.075
  533    HH2  TRP  81           HH2      TRP  81  -9.267  -5.580 -17.049
  534    H    ASN  82           HN       ASN  82  -3.188 -10.702 -15.055
  535    HA   ASN  82           HA       ASN  82  -2.888 -12.001 -16.898
  536    HB2  ASN  82           HB2      ASN  82  -4.335 -14.098 -15.265
  537    HB3  ASN  82           HB1      ASN  82  -3.316 -14.392 -16.671
  538   HD21  ASN  82          HD21      ASN  82  -3.416 -14.298 -13.360
  539   HD22  ASN  82          HD22      ASN  82  -1.721 -14.225 -13.036
  540    H    HIS  83           HN       HIS  83  -5.036 -10.282 -17.035
  541    HA   HIS  83           HA       HIS  83  -6.889 -11.821 -18.717
  542    HB2  HIS  83           HB2      HIS  83  -7.756  -9.561 -16.908
  543    HB3  HIS  83           HB1      HIS  83  -8.788 -10.596 -17.891
  544    HD1  HIS  83           HD1      HIS  83  -8.561 -10.165 -14.610
  545    HD2  HIS  83           HD2      HIS  83  -7.607 -13.499 -16.895
  546    HE1  HIS  83           HE1      HIS  83  -8.672 -12.116 -13.030
  547    HE2  HIS  83           HE2      HIS  83  -8.009 -14.109 -14.419
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1  -3.812  19.337  19.919
    2    H2   SER   1           HT2      SER   1  -3.068  18.619  21.289
    3    H3   SER   1           HT3      SER   1  -4.779  18.692  21.179
    4    HA   SER   1           HA       SER   1  -3.715  16.512  20.700
    5    HB2  SER   1           HB2      SER   1  -5.309  16.104  18.857
    6    HB3  SER   1           HB1      SER   1  -6.031  17.097  20.123
    7    HG   SER   1           HG       SER   1  -6.360  18.552  18.661
    8    HA   PRO   2           HA       PRO   2  -0.390  16.083  17.852
    9    HB2  PRO   2           HB2      PRO   2  -2.054  14.051  16.437
   10    HB3  PRO   2           HB1      PRO   2  -0.397  13.924  17.038
   11    HG2  PRO   2           HG2      PRO   2  -2.392  12.764  18.351
   12    HG3  PRO   2           HG1      PRO   2  -1.083  13.576  19.232
   13    HD2  PRO   2           HD2      PRO   2  -3.878  14.493  18.717
   14    HD3  PRO   2           HD1      PRO   2  -2.859  14.726  20.152
   15    HA   PRO   3           HA       PRO   3  -1.876  18.453  14.342
   16    HB2  PRO   3           HB2      PRO   3   0.452  19.474  13.572
   17    HB3  PRO   3           HB1      PRO   3  -0.286  19.968  15.101
   18    HG2  PRO   3           HG2      PRO   3   1.972  18.080  14.608
   19    HG3  PRO   3           HG1      PRO   3   1.756  19.254  15.917
   20    HD2  PRO   3           HD2      PRO   3   1.224  16.512  16.071
   21    HD3  PRO   3           HD1      PRO   3   0.642  17.747  17.204
   22    H    VAL   4           HN       VAL   4  -2.385  17.804  12.421
   23    HA   VAL   4           HA       VAL   4  -1.481  15.517  11.218
   24    HB   VAL   4           HB       VAL   4  -2.420  17.593   9.361
   25   HG11  VAL   4          HG11      VAL   4  -4.175  15.721   9.034
   26   HG12  VAL   4          HG12      VAL   4  -3.098  14.766  10.050
   27   HG13  VAL   4          HG13      VAL   4  -2.512  15.435   8.532
   28   HG21  VAL   4          HG21      VAL   4  -4.014  16.888  11.803
   29   HG22  VAL   4          HG22      VAL   4  -4.792  17.368  10.296
   30   HG23  VAL   4          HG23      VAL   4  -3.694  18.479  11.113
   31    H    CYS   5           HN       CYS   5   0.733  15.418  11.114
   32    HA   CYS   5           HA       CYS   5   2.378  17.498  10.109
   33    HB2  CYS   5           HB2      CYS   5   3.258  14.647   9.869
   34    HB3  CYS   5           HB1      CYS   5   4.179  16.055  10.371
   35    H    GLY   6           HN       GLY   6   1.757  18.249   8.152
   36    HA2  GLY   6           HA2      GLY   6   2.098  18.260   5.823
   37    HA3  GLY   6           HA1      GLY   6   2.260  16.509   5.860
   38    H    ASN   7           HN       ASN   7  -0.388  17.799   7.612
   39    HA   ASN   7           HA       ASN   7  -2.641  17.709   7.338
   40    HB2  ASN   7           HB2      ASN   7  -1.644  18.470   4.647
   41    HB3  ASN   7           HB1      ASN   7  -3.285  17.829   4.702
   42   HD21  ASN   7          HD21      ASN   7  -2.067  20.562   4.248
   43   HD22  ASN   7          HD22      ASN   7  -2.956  21.598   5.306
   44    H    LYS   8           HN       LYS   8  -4.178  16.117   7.177
   45    HA   LYS   8           HA       LYS   8  -3.461  13.481   6.952
   46    HB2  LYS   8           HB2      LYS   8  -5.734  14.691   7.650
   47    HB3  LYS   8           HB1      LYS   8  -6.200  14.204   6.026
   48    HG2  LYS   8           HG2      LYS   8  -5.128  12.312   8.105
   49    HG3  LYS   8           HG1      LYS   8  -6.844  12.600   7.813
   50    HD2  LYS   8           HD2      LYS   8  -6.296  12.003   5.362
   51    HD3  LYS   8           HD1      LYS   8  -4.814  11.308   6.022
   52    HE2  LYS   8           HE2      LYS   8  -6.256   9.495   5.997
   53    HE3  LYS   8           HE1      LYS   8  -6.403  10.081   7.654
   54    HZ1  LYS   8           HZ1      LYS   8  -8.538   9.541   6.455
   55    HZ2  LYS   8           HZ2      LYS   8  -8.266  10.919   5.512
   56    HZ3  LYS   8           HZ3      LYS   8  -8.464  11.066   7.185
   57    H    ILE   9           HN       ILE   9  -2.437  12.573   5.266
   58    HA   ILE   9           HA       ILE   9  -2.395  13.467   2.669
   59    HB   ILE   9           HB       ILE   9  -1.763  11.290   1.851
   60   HG12  ILE   9          HG12      ILE   9  -3.477  10.246   3.731
   61   HG13  ILE   9          HG11      ILE   9  -2.334   9.325   2.760
   62   HG21  ILE   9          HG21      ILE   9  -0.584  12.122   4.461
   63   HG22  ILE   9          HG22      ILE   9  -0.007  12.456   2.830
   64   HG23  ILE   9          HG23      ILE   9   0.105  10.826   3.491
   65   HD11  ILE   9          HD11      ILE   9  -2.156   8.675   5.054
   66   HD12  ILE   9          HD12      ILE   9  -1.909  10.346   5.551
   67   HD13  ILE   9          HD13      ILE   9  -0.688   9.527   4.577
   68    H    LEU  10           HN       LEU  10  -3.547  13.294   0.863
   69    HA   LEU  10           HA       LEU  10  -6.249  12.222   1.162
   70    HB2  LEU  10           HB2      LEU  10  -6.744  13.679  -0.839
   71    HB3  LEU  10           HB1      LEU  10  -6.336  14.519   0.646
   72    HG   LEU  10           HG       LEU  10  -5.342  15.366  -1.572
   73   HD11  LEU  10          HD11      LEU  10  -4.203  15.158   1.096
   74   HD12  LEU  10          HD12      LEU  10  -4.359  16.555   0.031
   75   HD13  LEU  10          HD13      LEU  10  -2.998  15.450  -0.158
   76   HD21  LEU  10          HD21      LEU  10  -3.292  14.369  -2.306
   77   HD22  LEU  10          HD22      LEU  10  -4.555  13.139  -2.331
   78   HD23  LEU  10          HD23      LEU  10  -3.369  13.158  -1.027
   79    H    GLU  11           HN       GLU  11  -3.533  11.016   0.232
   80    HA   GLU  11           HA       GLU  11  -4.547   8.980  -1.368
   81    HB2  GLU  11           HB2      GLU  11  -3.724   9.515  -3.573
   82    HB3  GLU  11           HB1      GLU  11  -4.809  10.789  -3.041
   83    HG2  GLU  11           HG2      GLU  11  -3.233  12.261  -3.516
   84    HG3  GLU  11           HG1      GLU  11  -2.262  11.579  -2.210
   85    H    GLN  12           HN       GLN  12  -2.611   9.375   0.789
   86    HA   GLN  12           HA       GLN  12  -0.292   8.138  -0.533
   87    HB2  GLN  12           HB2      GLN  12  -0.034   9.871   1.910
   88    HB3  GLN  12           HB1      GLN  12   1.244   9.278   0.868
   89    HG2  GLN  12           HG2      GLN  12  -0.847  11.308   0.118
   90    HG3  GLN  12           HG1      GLN  12   0.828  11.654   0.545
   91   HE21  GLN  12          HE21      GLN  12   0.861  12.707  -1.549
   92   HE22  GLN  12          HE22      GLN  12   1.164  11.763  -2.964
   93    H    GLY  13           HN       GLY  13  -0.517   8.638   2.933
   94    HA2  GLY  13           HA2      GLY  13  -1.036   7.120   4.638
   95    HA3  GLY  13           HA1      GLY  13  -1.360   5.897   3.416
   96    H    GLU  14           HN       GLU  14   1.499   7.590   2.911
   97    HA   GLU  14           HA       GLU  14   3.495   6.689   4.445
   98    HB2  GLU  14           HB2      GLU  14   2.297   4.400   3.166
   99    HB3  GLU  14           HB1      GLU  14   3.940   4.612   2.587
  100    HG2  GLU  14           HG2      GLU  14   4.667   3.605   4.406
  101    HG3  GLU  14           HG1      GLU  14   4.072   4.966   5.353
  102    H    ASP  15           HN       ASP  15   2.241   7.295   1.312
  103    HA   ASP  15           HA       ASP  15   4.577   7.418  -0.210
  104    HB2  ASP  15           HB2      ASP  15   1.891   7.918  -0.630
  105    HB3  ASP  15           HB1      ASP  15   2.622   9.507  -0.827
  106    H    CYS  16           HN       CYS  16   2.934   9.938   1.677
  107    HA   CYS  16           HA       CYS  16   5.115  11.166   2.743
  108    HB2  CYS  16           HB2      CYS  16   6.194  11.801   0.828
  109    HB3  CYS  16           HB1      CYS  16   4.709  11.913  -0.105
  110    H    ASP  17           HN       ASP  17   4.660  13.185   3.731
  111    HA   ASP  17           HA       ASP  17   3.363  14.644   4.875
  112    HB2  ASP  17           HB2      ASP  17   2.079  14.558   2.177
  113    HB3  ASP  17           HB1      ASP  17   1.260  15.419   3.477
  114    H    CYS  18           HN       CYS  18   2.956  11.877   5.373
  115    HA   CYS  18           HA       CYS  18   0.565  10.717   5.393
  116    HB2  CYS  18           HB2      CYS  18   2.797  10.509   7.045
  117    HB3  CYS  18           HB1      CYS  18   1.451  10.774   8.155
  118    H    GLY  19           HN       GLY  19   1.343  13.570   7.297
  119    HA2  GLY  19           HA2      GLY  19  -0.048  15.095   8.324
  120    HA3  GLY  19           HA1      GLY  19  -1.351  14.399   7.378
  121    H    SER  20           HN       SER  20  -2.040  12.134   8.194
  122    HA   SER  20           HA       SER  20  -3.181  12.433  10.665
  123    HB2  SER  20           HB2      SER  20  -3.786  10.135  10.582
  124    HB3  SER  20           HB1      SER  20  -3.799  10.737   8.927
  125    HG   SER  20           HG       SER  20  -2.698   8.829   8.872
  126    HA   PRO  21           HA       PRO  21   0.566  12.355  13.107
  127    HB2  PRO  21           HB2      PRO  21  -1.541  12.589  15.201
  128    HB3  PRO  21           HB1      PRO  21  -0.060  13.530  14.984
  129    HG2  PRO  21           HG2      PRO  21  -2.417  14.570  14.326
  130    HG3  PRO  21           HG1      PRO  21  -0.989  14.849  13.312
  131    HD2  PRO  21           HD2      PRO  21  -3.289  12.992  12.870
  132    HD3  PRO  21           HD1      PRO  21  -2.396  13.968  11.687
  133    H    ALA  22           HN       ALA  22  -2.300  10.372  13.482
  134    HA   ALA  22           HA       ALA  22  -1.465   8.623  15.472
  135    HB1  ALA  22           HB1      ALA  22  -3.608   8.136  14.918
  136    HB2  ALA  22           HB2      ALA  22  -2.827   6.937  13.887
  137    HB3  ALA  22           HB3      ALA  22  -3.357   8.474  13.205
  138    H    ASN  23           HN       ASN  23  -0.364   9.015  12.228
  139    HA   ASN  23           HA       ASN  23   1.340   6.631  12.489
  140    HB2  ASN  23           HB2      ASN  23   0.511   7.969   9.908
  141    HB3  ASN  23           HB1      ASN  23   1.334   6.421  10.097
  142   HD21  ASN  23          HD21      ASN  23  -1.680   8.132  10.647
  143   HD22  ASN  23          HD22      ASN  23  -2.689   6.730  10.661
  144    H    CYS  24           HN       CYS  24   1.297  10.027  12.339
  145    HA   CYS  24           HA       CYS  24   3.604  10.709  10.972
  146    HB2  CYS  24           HB2      CYS  24   2.004  12.346  11.874
  147    HB3  CYS  24           HB1      CYS  24   2.521  11.959  13.509
  148    H    GLN  25           HN       GLN  25   5.233   9.210  11.245
  149    HA   GLN  25           HA       GLN  25   7.132   8.336  12.132
  150    HB2  GLN  25           HB2      GLN  25   6.748  10.822  13.721
  151    HB3  GLN  25           HB1      GLN  25   7.906   9.646  14.327
  152    HG2  GLN  25           HG2      GLN  25   9.069   9.717  12.157
  153    HG3  GLN  25           HG1      GLN  25   7.940  10.959  11.619
  154   HE21  GLN  25          HE21      GLN  25   7.802  12.883  13.117
  155   HE22  GLN  25          HE22      GLN  25   9.294  13.483  13.746
  156    H    ASP  26           HN       ASP  26   5.419   6.610  12.625
  157    HA   ASP  26           HA       ASP  26   5.971   5.538  15.184
  158    HB2  ASP  26           HB2      ASP  26   3.475   7.090  14.860
  159    HB3  ASP  26           HB1      ASP  26   3.299   5.517  15.633
  160    H    ARG  27           HN       ARG  27   3.069   5.403  13.107
  161    HA   ARG  27           HA       ARG  27   2.822   2.630  13.189
  162    HB2  ARG  27           HB2      ARG  27   1.604   4.820  11.709
  163    HB3  ARG  27           HB1      ARG  27   1.703   3.346  10.757
  164    HG2  ARG  27           HG2      ARG  27  -0.175   2.716  11.752
  165    HG3  ARG  27           HG1      ARG  27   0.787   2.474  13.212
  166    HD2  ARG  27           HD2      ARG  27  -0.016   4.336  14.208
  167    HD3  ARG  27           HD1      ARG  27  -0.083   5.242  12.698
  168    HE   ARG  27           HE       ARG  27  -2.287   4.702  12.565
  169   HH11  ARG  27          HH11      ARG  27  -0.707   2.302  14.546
  170   HH12  ARG  27          HH12      ARG  27  -2.175   1.460  14.916
  171   HH21  ARG  27          HH21      ARG  27  -4.218   3.597  13.052
  172   HH22  ARG  27          HH22      ARG  27  -4.168   2.195  14.068
  173    H    CYS  28           HN       CYS  28   3.337   4.063  10.016
  174    HA   CYS  28           HA       CYS  28   5.857   2.744   9.613
  175    HB2  CYS  28           HB2      CYS  28   3.486   1.278   9.091
  176    HB3  CYS  28           HB1      CYS  28   4.172   1.713   7.530
  177    H    CYS  29           HN       CYS  29   4.659   5.410   9.394
  178    HA   CYS  29           HA       CYS  29   5.513   5.964   6.644
  179    HB2  CYS  29           HB2      CYS  29   3.647   7.292   6.103
  180    HB3  CYS  29           HB1      CYS  29   2.971   5.824   6.798
  181    H    ASN  30           HN       ASN  30   5.899   8.247   6.255
  182    HA   ASN  30           HA       ASN  30   6.923   9.570   8.674
  183    HB2  ASN  30           HB2      ASN  30   7.988   9.353   5.884
  184    HB3  ASN  30           HB1      ASN  30   8.391  10.747   6.861
  185   HD21  ASN  30          HD21      ASN  30   8.631   9.617   9.349
  186   HD22  ASN  30          HD22      ASN  30   9.958   8.513   9.359
  187    H    ALA  31           HN       ALA  31   5.062  10.662   9.105
  188    HA   ALA  31           HA       ALA  31   3.794  12.355   7.153
  189    HB1  ALA  31           HB1      ALA  31   3.348  12.742  10.072
  190    HB2  ALA  31           HB2      ALA  31   2.812  11.236   9.341
  191    HB3  ALA  31           HB3      ALA  31   2.190  12.773   8.749
  192    H    ALA  32           HN       ALA  32   6.377  12.534   9.391
  193    HA   ALA  32           HA       ALA  32   6.544  15.461   9.150
  194    HB1  ALA  32           HB1      ALA  32   8.184  13.684  10.945
  195    HB2  ALA  32           HB2      ALA  32   6.633  14.377  11.423
  196    HB3  ALA  32           HB3      ALA  32   7.990  15.435  11.037
  197    H    THR  33           HN       THR  33   7.587  12.775   7.573
  198    HA   THR  33           HA       THR  33  10.089  14.070   6.758
  199    HB   THR  33           HB       THR  33  10.130  11.221   6.316
  200    HG1  THR  33           HG1      THR  33   9.846  12.072   9.008
  201   HG21  THR  33          HG21      THR  33  12.224  11.307   7.208
  202   HG22  THR  33          HG22      THR  33  11.816  12.619   8.313
  203   HG23  THR  33          HG23      THR  33  12.032  12.948   6.593
  204    H    CYS  34           HN       CYS  34   7.085  13.379   5.737
  205    HA   CYS  34           HA       CYS  34   6.079  13.162   3.722
  206    HB2  CYS  34           HB2      CYS  34   7.050  15.281   3.284
  207    HB3  CYS  34           HB1      CYS  34   8.629  14.575   2.970
  208    H    LYS  35           HN       LYS  35   6.982  10.745   4.427
  209    HA   LYS  35           HA       LYS  35   7.256   9.438   1.942
  210    HB2  LYS  35           HB2      LYS  35   9.730  10.193   3.269
  211    HB3  LYS  35           HB1      LYS  35   9.619   8.460   2.992
  212    HG2  LYS  35           HG2      LYS  35   8.829  10.054   0.683
  213    HG3  LYS  35           HG1      LYS  35  10.502  10.312   1.184
  214    HD2  LYS  35           HD2      LYS  35   9.644   7.503   1.133
  215    HD3  LYS  35           HD1      LYS  35   9.665   8.300  -0.442
  216    HE2  LYS  35           HE2      LYS  35  11.916   8.475  -0.469
  217    HE3  LYS  35           HE1      LYS  35  12.016   8.787   1.263
  218    HZ1  LYS  35           HZ1      LYS  35  12.878   6.555   0.229
  219    HZ2  LYS  35           HZ2      LYS  35  11.257   6.099   0.385
  220    HZ3  LYS  35           HZ3      LYS  35  12.134   6.580   1.749
  221    H    LEU  36           HN       LEU  36   8.106   7.063   2.371
  222    HA   LEU  36           HA       LEU  36   6.374   6.016   4.451
  223    HB2  LEU  36           HB2      LEU  36   6.976   3.806   3.516
  224    HB3  LEU  36           HB1      LEU  36   6.315   4.898   2.315
  225    HG   LEU  36           HG       LEU  36   9.262   4.866   2.529
  226   HD11  LEU  36          HD11      LEU  36   8.997   2.789   0.861
  227   HD12  LEU  36          HD12      LEU  36   7.666   2.445   1.965
  228   HD13  LEU  36          HD13      LEU  36   9.308   2.606   2.588
  229   HD21  LEU  36          HD21      LEU  36   9.155   5.548   0.380
  230   HD22  LEU  36          HD22      LEU  36   7.501   5.972   0.822
  231   HD23  LEU  36          HD23      LEU  36   7.829   4.454  -0.015
  232    H    THR  37           HN       THR  37   7.228   4.290   5.941
  233    HA   THR  37           HA       THR  37   9.594   5.296   7.218
  234    HB   THR  37           HB       THR  37   9.147   3.311   8.791
  235    HG1  THR  37           HG1      THR  37   7.719   1.985   8.045
  236   HG21  THR  37          HG21      THR  37   7.399   5.676   8.395
  237   HG22  THR  37          HG22      THR  37   8.482   5.271   9.728
  238   HG23  THR  37          HG23      THR  37   6.929   4.449   9.574
  239    HA   PRO  38           HA       PRO  38  12.882   2.862   5.634
  240    HB2  PRO  38           HB2      PRO  38  13.380   2.220   8.514
  241    HB3  PRO  38           HB1      PRO  38  14.516   2.776   7.277
  242    HG2  PRO  38           HG2      PRO  38  13.611   4.471   9.092
  243    HG3  PRO  38           HG1      PRO  38  13.759   4.978   7.398
  244    HD2  PRO  38           HD2      PRO  38  11.318   4.254   8.956
  245    HD3  PRO  38           HD1      PRO  38  11.528   5.481   7.690
  246    H    GLY  39           HN       GLY  39  13.171   0.787   4.980
  247    HA2  GLY  39           HA2      GLY  39  13.139  -1.560   5.190
  248    HA3  GLY  39           HA1      GLY  39  12.082  -1.399   6.584
  249    H    SER  40           HN       SER  40  10.204   0.379   5.257
  250    HA   SER  40           HA       SER  40   8.407  -1.494   4.249
  251    HB2  SER  40           HB2      SER  40   7.474   0.515   5.055
  252    HB3  SER  40           HB1      SER  40   8.534   1.508   4.056
  253    HG   SER  40           HG       SER  40   6.291   1.259   3.323
  254    H    GLN  41           HN       GLN  41   7.888  -2.220   2.245
  255    HA   GLN  41           HA       GLN  41   9.843  -1.761   0.150
  256    HB2  GLN  41           HB2      GLN  41   7.410  -3.531  -0.025
  257    HB3  GLN  41           HB1      GLN  41   8.898  -3.640  -0.955
  258    HG2  GLN  41           HG2      GLN  41   9.877  -3.947   1.530
  259    HG3  GLN  41           HG1      GLN  41   8.268  -4.636   1.740
  260   HE21  GLN  41          HE21      GLN  41  10.683  -4.667  -0.863
  261   HE22  GLN  41          HE22      GLN  41  10.709  -6.385  -1.050
  262    H    CYS  42           HN       CYS  42   6.514  -1.002   0.864
  263    HA   CYS  42           HA       CYS  42   6.467   0.864  -1.370
  264    HB2  CYS  42           HB2      CYS  42   4.249   0.067  -2.123
  265    HB3  CYS  42           HB1      CYS  42   5.511  -1.138  -2.355
  266    H    ASN  43           HN       ASN  43   4.939   2.528  -1.139
  267    HA   ASN  43           HA       ASN  43   4.292   3.106   1.603
  268    HB2  ASN  43           HB2      ASN  43   3.356   5.239   0.606
  269    HB3  ASN  43           HB1      ASN  43   5.069   4.955   0.314
  270   HD21  ASN  43          HD21      ASN  43   5.613   5.584  -1.633
  271   HD22  ASN  43          HD22      ASN  43   4.682   5.381  -3.074
  272    H    TYR  44           HN       TYR  44   2.615   2.080  -1.272
  273    HA   TYR  44           HA       TYR  44   0.423   1.027   0.095
  274    HB2  TYR  44           HB2      TYR  44  -1.361   2.574  -0.390
  275    HB3  TYR  44           HB1      TYR  44  -0.107   3.440   0.488
  276    HD1  TYR  44           HD2      TYR  44  -1.272   2.758  -2.987
  277    HD2  TYR  44           HD1      TYR  44   0.673   5.464  -0.344
  278    HE1  TYR  44           HE2      TYR  44  -1.197   4.436  -4.777
  279    HE2  TYR  44           HE1      TYR  44   0.753   7.156  -2.122
  280    HH   TYR  44           HH       TYR  44   0.740   7.025  -4.792
  281    H    GLY  45           HN       GLY  45  -1.445   0.534  -1.479
  282    HA2  GLY  45           HA2      GLY  45  -1.725   0.618  -4.061
  283    HA3  GLY  45           HA1      GLY  45  -0.203  -0.260  -4.020
  284    H    GLU  46           HN       GLU  46  -1.985  -1.587  -5.302
  285    HA   GLU  46           HA       GLU  46  -3.909  -3.078  -3.942
  286    HB2  GLU  46           HB2      GLU  46  -2.348  -3.467  -6.458
  287    HB3  GLU  46           HB1      GLU  46  -3.299  -4.811  -5.842
  288    HG2  GLU  46           HG2      GLU  46  -4.997  -3.941  -6.975
  289    HG3  GLU  46           HG1      GLU  46  -5.060  -2.707  -5.717
  290    H    CYS  47           HN       CYS  47  -0.491  -3.764  -4.524
  291    HA   CYS  47           HA       CYS  47  -0.623  -6.247  -3.018
  292    HB2  CYS  47           HB2      CYS  47   1.354  -4.890  -4.765
  293    HB3  CYS  47           HB1      CYS  47   1.997  -5.955  -3.522
  294    H    CYS  48           HN       CYS  48  -0.162  -2.983  -2.293
  295    HA   CYS  48           HA       CYS  48   1.797  -3.326  -0.231
  296    HB2  CYS  48           HB2      CYS  48   0.936  -1.183  -1.654
  297    HB3  CYS  48           HB1      CYS  48   0.090  -0.928  -0.131
  298    H    ASP  49           HN       ASP  49   1.546  -3.350   1.941
  299    HA   ASP  49           HA       ASP  49  -1.079  -3.201   3.151
  300    HB2  ASP  49           HB2      ASP  49  -0.339  -5.673   2.318
  301    HB3  ASP  49           HB1      ASP  49   0.390  -5.656   3.921
  302    H    GLN  50           HN       GLN  50  -0.540  -1.652   4.579
  303    HA   GLN  50           HA       GLN  50   0.343  -0.711   6.462
  304    HB2  GLN  50           HB2      GLN  50   0.472  -3.337   7.054
  305    HB3  GLN  50           HB1      GLN  50   2.190  -2.962   7.036
  306    HG2  GLN  50           HG2      GLN  50   2.087  -1.778   8.937
  307    HG3  GLN  50           HG1      GLN  50   0.523  -1.069   8.535
  308   HE21  GLN  50          HE21      GLN  50   1.409  -2.157  11.059
  309   HE22  GLN  50          HE22      GLN  50   0.326  -3.446  11.450
  310    H    CYS  51           HN       CYS  51   2.984  -2.730   5.168
  311    HA   CYS  51           HA       CYS  51   4.349  -0.570   3.960
  312    HB2  CYS  51           HB2      CYS  51   6.372  -1.062   5.733
  313    HB3  CYS  51           HB1      CYS  51   5.299   0.329   5.795
  314    H    ARG  52           HN       ARG  52   3.545  -3.326   3.449
  315    HA   ARG  52           HA       ARG  52   6.056  -4.248   2.338
  316    HB2  ARG  52           HB2      ARG  52   4.709  -5.590   4.608
  317    HB3  ARG  52           HB1      ARG  52   5.246  -6.639   3.303
  318    HG2  ARG  52           HG2      ARG  52   7.210  -4.659   4.250
  319    HG3  ARG  52           HG1      ARG  52   6.783  -5.938   5.387
  320    HD2  ARG  52           HD2      ARG  52   7.391  -7.631   3.788
  321    HD3  ARG  52           HD1      ARG  52   7.663  -6.412   2.543
  322    HE   ARG  52           HE       ARG  52   9.742  -6.059   3.412
  323   HH11  ARG  52          HH11      ARG  52   7.796  -7.660   5.826
  324   HH12  ARG  52          HH12      ARG  52   9.114  -7.873   6.928
  325   HH21  ARG  52          HH21      ARG  52  11.478  -6.339   4.860
  326   HH22  ARG  52          HH22      ARG  52  11.205  -7.123   6.380
  327    H    PHE  53           HN       PHE  53   5.733  -6.082   0.826
  328    HA   PHE  53           HA       PHE  53   3.308  -5.670  -0.678
  329    HB2  PHE  53           HB2      PHE  53   5.780  -7.326  -1.157
  330    HB3  PHE  53           HB1      PHE  53   4.378  -7.418  -2.220
  331    HD1  PHE  53           HD1      PHE  53   3.591  -4.513  -2.116
  332    HD2  PHE  53           HD2      PHE  53   7.363  -6.413  -2.634
  333    HE1  PHE  53           HE1      PHE  53   4.396  -2.560  -3.351
  334    HE2  PHE  53           HE2      PHE  53   8.180  -4.451  -3.877
  335    HZ   PHE  53           HZ       PHE  53   6.695  -2.519  -4.239
  336    H    LYS  54           HN       LYS  54   1.769  -7.205  -1.213
  337    HA   LYS  54           HA       LYS  54   1.160  -9.069   0.863
  338    HB2  LYS  54           HB2      LYS  54  -0.118  -8.123  -1.626
  339    HB3  LYS  54           HB1      LYS  54  -0.536  -9.761  -1.145
  340    HG2  LYS  54           HG2      LYS  54  -1.741  -9.080   0.626
  341    HG3  LYS  54           HG1      LYS  54  -0.643  -7.749   0.997
  342    HD2  LYS  54           HD2      LYS  54  -1.610  -6.711  -1.191
  343    HD3  LYS  54           HD1      LYS  54  -2.939  -7.840  -0.917
  344    HE2  LYS  54           HE2      LYS  54  -3.632  -6.777   0.989
  345    HE3  LYS  54           HE1      LYS  54  -2.022  -6.161   1.360
  346    HZ1  LYS  54           HZ1      LYS  54  -2.291  -4.630  -0.558
  347    HZ2  LYS  54           HZ2      LYS  54  -3.383  -4.343   0.701
  348    HZ3  LYS  54           HZ3      LYS  54  -3.898  -5.140  -0.699
  349    H    LYS  55           HN       LYS  55   2.322 -10.873   1.091
  350    HA   LYS  55           HA       LYS  55   4.046 -12.149  -0.480
  351    HB2  LYS  55           HB2      LYS  55   3.416 -12.903   1.785
  352    HB3  LYS  55           HB1      LYS  55   1.937 -13.595   1.132
  353    HG2  LYS  55           HG2      LYS  55   2.999 -15.386   0.254
  354    HG3  LYS  55           HG1      LYS  55   4.465 -14.476  -0.115
  355    HD2  LYS  55           HD2      LYS  55   5.231 -14.617   2.116
  356    HD3  LYS  55           HD1      LYS  55   3.657 -15.163   2.700
  357    HE2  LYS  55           HE2      LYS  55   4.924 -16.847   0.637
  358    HE3  LYS  55           HE1      LYS  55   5.733 -16.811   2.203
  359    HZ1  LYS  55           HZ1      LYS  55   3.758 -18.473   1.644
  360    HZ2  LYS  55           HZ2      LYS  55   2.845 -17.178   2.237
  361    HZ3  LYS  55           HZ3      LYS  55   4.038 -17.884   3.206
  362    H    ALA  56           HN       ALA  56   4.119 -13.096  -2.408
  363    HA   ALA  56           HA       ALA  56   2.230 -13.053  -4.316
  364    HB1  ALA  56           HB1      ALA  56   3.348 -15.277  -5.153
  365    HB2  ALA  56           HB2      ALA  56   4.495 -14.922  -3.858
  366    HB3  ALA  56           HB3      ALA  56   4.235 -13.752  -5.154
  367    H    GLY  57           HN       GLY  57   0.385 -14.032  -4.801
  368    HA2  GLY  57           HA2      GLY  57  -0.917 -16.125  -4.854
  369    HA3  GLY  57           HA1      GLY  57  -0.341 -16.431  -3.219
  370    H    THR  58           HN       THR  58  -0.724 -13.321  -2.966
  371    HA   THR  58           HA       THR  58  -3.332 -13.514  -1.762
  372    HB   THR  58           HB       THR  58  -1.496 -11.131  -2.136
  373    HG1  THR  58           HG1      THR  58  -0.485 -11.900  -0.484
  374   HG21  THR  58          HG21      THR  58  -4.163 -11.104  -1.405
  375   HG22  THR  58          HG22      THR  58  -2.970  -9.827  -1.137
  376   HG23  THR  58          HG23      THR  58  -3.282 -11.024   0.122
  377    H    VAL  59           HN       VAL  59  -5.155 -13.311  -2.911
  378    HA   VAL  59           HA       VAL  59  -5.124 -12.243  -5.560
  379    HB   VAL  59           HB       VAL  59  -6.627 -14.091  -4.988
  380   HG11  VAL  59          HG11      VAL  59  -8.127 -14.080  -3.312
  381   HG12  VAL  59          HG12      VAL  59  -8.565 -12.392  -3.575
  382   HG13  VAL  59          HG13      VAL  59  -7.106 -12.793  -2.670
  383   HG21  VAL  59          HG21      VAL  59  -7.210 -12.626  -6.856
  384   HG22  VAL  59          HG22      VAL  59  -8.126 -11.592  -5.761
  385   HG23  VAL  59          HG23      VAL  59  -8.652 -13.250  -6.054
  386    H    CYS  60           HN       CYS  60  -5.187 -10.153  -6.053
  387    HA   CYS  60           HA       CYS  60  -6.393  -8.287  -4.133
  388    HB2  CYS  60           HB2      CYS  60  -4.704  -7.559  -6.517
  389    HB3  CYS  60           HB1      CYS  60  -5.113  -6.546  -5.139
  390    H    ARG  61           HN       ARG  61  -6.753  -9.570  -7.329
  391    HA   ARG  61           HA       ARG  61  -9.233  -8.055  -7.656
  392    HB2  ARG  61           HB2      ARG  61  -7.075  -7.076  -8.891
  393    HB3  ARG  61           HB1      ARG  61  -7.509  -8.300 -10.075
  394    HG2  ARG  61           HG2      ARG  61  -9.485  -7.257 -10.633
  395    HG3  ARG  61           HG1      ARG  61  -9.592  -6.403  -9.094
  396    HD2  ARG  61           HD2      ARG  61  -9.033  -4.977 -11.087
  397    HD3  ARG  61           HD1      ARG  61  -7.908  -4.860  -9.739
  398    HE   ARG  61           HE       ARG  61  -7.411  -6.285 -12.268
  399   HH11  ARG  61          HH11      ARG  61  -6.216  -4.774  -9.344
  400   HH12  ARG  61          HH12      ARG  61  -4.559  -4.886  -9.826
  401   HH21  ARG  61          HH21      ARG  61  -5.232  -6.440 -12.879
  402   HH22  ARG  61          HH22      ARG  61  -3.999  -5.829 -11.827
  403    H    ILE  62           HN       ILE  62 -10.189  -8.848  -9.945
  404    HA   ILE  62           HA       ILE  62  -9.710 -11.409 -10.888
  405    HB   ILE  62           HB       ILE  62 -10.357 -12.235  -8.698
  406   HG12  ILE  62          HG12      ILE  62 -12.231 -13.717  -9.378
  407   HG13  ILE  62          HG11      ILE  62 -12.479 -12.708 -10.799
  408   HG21  ILE  62          HG21      ILE  62 -12.283 -11.683  -7.565
  409   HG22  ILE  62          HG22      ILE  62 -13.130 -11.195  -9.035
  410   HG23  ILE  62          HG23      ILE  62 -11.885 -10.152  -8.345
  411   HD11  ILE  62          HD11      ILE  62 -10.081 -14.399 -10.157
  412   HD12  ILE  62          HD12      ILE  62 -10.152 -13.254 -11.497
  413   HD13  ILE  62          HD13      ILE  62 -11.251 -14.633 -11.455
  414    H    ALA  63           HN       ALA  63 -10.861 -11.719 -12.696
  415    HA   ALA  63           HA       ALA  63 -12.435  -9.596 -13.672
  416    HB1  ALA  63           HB1      ALA  63 -11.786 -10.507 -15.576
  417    HB2  ALA  63           HB2      ALA  63 -12.916 -11.829 -15.309
  418    HB3  ALA  63           HB3      ALA  63 -11.251 -11.962 -14.740
  419    H    ARG  64           HN       ARG  64 -13.849 -12.761 -14.167
  420    HA   ARG  64           HA       ARG  64 -16.018 -12.145 -12.314
  421    HB2  ARG  64           HB2      ARG  64 -16.333 -11.395 -14.880
  422    HB3  ARG  64           HB1      ARG  64 -16.892 -13.058 -14.994
  423    HG2  ARG  64           HG2      ARG  64 -18.780 -11.657 -14.603
  424    HG3  ARG  64           HG1      ARG  64 -18.476 -12.588 -13.135
  425    HD2  ARG  64           HD2      ARG  64 -17.364 -10.680 -12.127
  426    HD3  ARG  64           HD1      ARG  64 -17.575  -9.749 -13.610
  427    HE   ARG  64           HE       ARG  64 -19.749  -9.342 -13.010
  428   HH11  ARG  64          HH11      ARG  64 -18.482 -11.911 -11.017
  429   HH12  ARG  64          HH12      ARG  64 -19.851 -11.933  -9.957
  430   HH21  ARG  64          HH21      ARG  64 -21.550  -9.369 -11.617
  431   HH22  ARG  64          HH22      ARG  64 -21.594 -10.491 -10.298
  432    H    GLY  65           HN       GLY  65 -15.231 -13.957 -11.120
  433    HA2  GLY  65           HA2      GLY  65 -16.291 -16.208 -10.811
  434    HA3  GLY  65           HA1      GLY  65 -15.739 -16.546 -12.445
  435    H    ASP  66           HN       ASP  66 -13.767 -17.356 -12.748
  436    HA   ASP  66           HA       ASP  66 -11.520 -16.918 -11.181
  437    HB2  ASP  66           HB2      ASP  66 -13.225 -18.434  -9.715
  438    HB3  ASP  66           HB1      ASP  66 -12.319 -19.694 -10.548
  439    H    TRP  67           HN       TRP  67 -10.539 -16.859 -13.144
  440    HA   TRP  67           HA       TRP  67 -10.221 -19.439 -14.537
  441    HB2  TRP  67           HB2      TRP  67  -9.499 -17.361 -16.308
  442    HB3  TRP  67           HB1      TRP  67 -10.906 -18.413 -16.412
  443    HD1  TRP  67           HD1      TRP  67 -10.005 -15.082 -14.570
  444    HE1  TRP  67           HE1      TRP  67 -12.089 -13.601 -14.605
  445    HE3  TRP  67           HE3      TRP  67 -13.215 -18.263 -16.943
  446    HZ2  TRP  67           HZ2      TRP  67 -14.746 -13.741 -15.534
  447    HZ3  TRP  67           HZ3      TRP  67 -15.519 -17.509 -17.377
  448    HH2  TRP  67           HH2      TRP  67 -16.268 -15.290 -16.683
  449    H    ASN  68           HN       ASN  68  -8.656 -16.289 -14.540
  450    HA   ASN  68           HA       ASN  68  -6.031 -17.579 -14.276
  451    HB2  ASN  68           HB2      ASN  68  -6.370 -14.686 -14.950
  452    HB3  ASN  68           HB1      ASN  68  -5.107 -15.807 -15.452
  453   HD21  ASN  68          HD21      ASN  68  -8.529 -15.035 -15.887
  454   HD22  ASN  68          HD22      ASN  68  -8.635 -15.601 -17.515
  455    H    ASP  69           HN       ASP  69  -8.155 -15.109 -13.005
  456    HA   ASP  69           HA       ASP  69  -8.278 -14.113 -10.961
  457    HB2  ASP  69           HB2      ASP  69  -5.982 -15.861 -10.125
  458    HB3  ASP  69           HB1      ASP  69  -7.160 -15.070  -9.085
  459    H    ASP  70           HN       ASP  70  -6.977 -12.830  -9.394
  460    HA   ASP  70           HA       ASP  70  -4.619 -11.674 -10.704
  461    HB2  ASP  70           HB2      ASP  70  -6.597 -10.148 -10.749
  462    HB3  ASP  70           HB1      ASP  70  -6.629 -10.209  -8.992
  463    H    TYR  71           HN       TYR  71  -2.845 -12.086  -9.571
  464    HA   TYR  71           HA       TYR  71  -3.101 -12.191  -6.646
  465    HB2  TYR  71           HB2      TYR  71  -1.814 -14.167  -8.493
  466    HB3  TYR  71           HB1      TYR  71  -1.364 -14.057  -6.794
  467    HD1  TYR  71           HD2      TYR  71  -3.207 -14.243  -5.089
  468    HD2  TYR  71           HD1      TYR  71  -3.684 -15.423  -9.134
  469    HE1  TYR  71           HE2      TYR  71  -5.091 -15.649  -4.426
  470    HE2  TYR  71           HE1      TYR  71  -5.587 -16.840  -8.512
  471    HH   TYR  71           HH       TYR  71  -7.048 -16.687  -5.392
  472    H    CYS  72           HN       CYS  72  -1.448 -11.523  -5.430
  473    HA   CYS  72           HA       CYS  72   0.362  -9.644  -6.546
  474    HB2  CYS  72           HB2      CYS  72  -0.633  -9.700  -4.180
  475    HB3  CYS  72           HB1      CYS  72   0.614 -10.888  -3.815
  476    H    THR  73           HN       THR  73   2.745  -9.762  -6.217
  477    HA   THR  73           HA       THR  73   3.724 -12.509  -6.635
  478    HB   THR  73           HB       THR  73   5.226 -11.761  -8.284
  479    HG1  THR  73           HG1      THR  73   5.684  -9.600  -8.633
  480   HG21  THR  73          HG21      THR  73   3.187  -9.813  -9.086
  481   HG22  THR  73          HG22      THR  73   2.584 -11.432  -8.726
  482   HG23  THR  73          HG23      THR  73   3.835 -11.208  -9.950
  483    H    GLY  74           HN       GLY  74   3.635 -10.319  -4.331
  484    HA2  GLY  74           HA2      GLY  74   4.952  -9.752  -2.543
  485    HA3  GLY  74           HA1      GLY  74   5.733 -11.300  -2.823
  486    H    LYS  75           HN       LYS  75   5.831  -8.860  -5.295
  487    HA   LYS  75           HA       LYS  75   8.449  -7.921  -4.439
  488    HB2  LYS  75           HB2      LYS  75   8.040  -9.303  -7.094
  489    HB3  LYS  75           HB1      LYS  75   9.515  -8.499  -6.573
  490    HG2  LYS  75           HG2      LYS  75   9.527 -10.129  -4.622
  491    HG3  LYS  75           HG1      LYS  75   8.294 -11.024  -5.512
  492    HD2  LYS  75           HD2      LYS  75  10.225 -10.565  -7.418
  493    HD3  LYS  75           HD1      LYS  75  11.171 -10.848  -5.956
  494    HE2  LYS  75           HE2      LYS  75   9.243 -12.671  -7.345
  495    HE3  LYS  75           HE1      LYS  75  10.910 -12.979  -6.859
  496    HZ1  LYS  75           HZ1      LYS  75   9.712 -14.133  -5.291
  497    HZ2  LYS  75           HZ2      LYS  75   8.468 -12.989  -5.216
  498    HZ3  LYS  75           HZ3      LYS  75   9.961 -12.662  -4.491
  499    H    SER  76           HN       SER  76   5.615  -6.931  -5.145
  500    HA   SER  76           HA       SER  76   6.441  -4.438  -6.213
  501    HB2  SER  76           HB2      SER  76   6.249  -6.142  -8.231
  502    HB3  SER  76           HB1      SER  76   4.531  -5.775  -8.080
  503    HG   SER  76           HG       SER  76   5.588  -4.354  -9.527
  504    H    SER  77           HN       SER  77   4.664  -2.908  -6.425
  505    HA   SER  77           HA       SER  77   2.588  -3.463  -4.471
  506    HB2  SER  77           HB2      SER  77   2.320  -1.167  -4.282
  507    HB3  SER  77           HB1      SER  77   4.013  -1.267  -4.765
  508    HG   SER  77           HG       SER  77   3.539  -0.320  -6.582
  509    H    ASP  78           HN       ASP  78   2.766  -4.355  -7.502
  510    HA   ASP  78           HA       ASP  78  -0.001  -3.593  -8.159
  511    HB2  ASP  78           HB2      ASP  78   2.258  -4.357 -10.023
  512    HB3  ASP  78           HB1      ASP  78   0.601  -4.034 -10.526
  513    H    CYS  79           HN       CYS  79  -1.459  -5.156  -8.593
  514    HA   CYS  79           HA       CYS  79  -0.566  -7.944  -8.251
  515    HB2  CYS  79           HB2      CYS  79  -2.624  -6.429  -6.994
  516    HB3  CYS  79           HB1      CYS  79  -3.397  -7.682  -7.961
  517    HA   PRO  80           HA       PRO  80  -1.756  -7.985 -12.656
  518    HB2  PRO  80           HB2      PRO  80  -0.669 -10.436 -13.161
  519    HB3  PRO  80           HB1      PRO  80   0.271  -8.939 -13.150
  520    HG2  PRO  80           HG2      PRO  80  -0.032 -11.001 -10.999
  521    HG3  PRO  80           HG1      PRO  80   1.434 -10.169 -11.554
  522    HD2  PRO  80           HD2      PRO  80   0.137  -9.423  -9.318
  523    HD3  PRO  80           HD1      PRO  80   0.938  -8.242 -10.374
  524    H    TRP  81           HN       TRP  81  -3.703  -8.581 -13.349
  525    HA   TRP  81           HA       TRP  81  -5.119 -10.720 -11.978
  526    HB2  TRP  81           HB2      TRP  81  -7.137  -9.853 -13.082
  527    HB3  TRP  81           HB1      TRP  81  -6.315  -8.648 -12.105
  528    HD1  TRP  81           HD1      TRP  81  -4.243  -8.537 -15.013
  529    HE1  TRP  81           HE1      TRP  81  -5.047  -6.773 -16.704
  530    HE3  TRP  81           HE3      TRP  81  -8.950  -7.860 -13.252
  531    HZ2  TRP  81           HZ2      TRP  81  -7.400  -5.282 -17.210
  532    HZ3  TRP  81           HZ3      TRP  81 -10.441  -6.251 -14.383
  533    HH2  TRP  81           HH2      TRP  81  -9.674  -4.989 -16.330
  534    H    ASN  82           HN       ASN  82  -3.512 -10.213 -14.863
  535    HA   ASN  82           HA       ASN  82  -3.197 -11.443 -16.751
  536    HB2  ASN  82           HB2      ASN  82  -3.168 -13.214 -14.710
  537    HB3  ASN  82           HB1      ASN  82  -4.514 -13.855 -15.647
  538   HD21  ASN  82          HD21      ASN  82  -1.429 -14.355 -15.125
  539   HD22  ASN  82          HD22      ASN  82  -0.894 -14.865 -16.687
  540    H    HIS  83           HN       HIS  83  -5.304  -9.861 -17.019
  541    HA   HIS  83           HA       HIS  83  -7.204 -11.521 -18.515
  542    HB2  HIS  83           HB2      HIS  83  -8.031  -9.193 -16.772
  543    HB3  HIS  83           HB1      HIS  83  -9.095 -10.232 -17.715
  544    HD1  HIS  83           HD1      HIS  83  -8.768  -9.734 -14.443
  545    HD2  HIS  83           HD2      HIS  83  -7.971 -13.136 -16.686
  546    HE1  HIS  83           HE1      HIS  83  -8.892 -11.650 -12.823
  547    HE2  HIS  83           HE2      HIS  83  -8.561 -13.707 -14.237
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1  -6.053  17.002  17.452
    2    H2   SER   1           HT2      SER   1  -7.327  17.441  18.513
    3    H3   SER   1           HT3      SER   1  -6.796  15.812  18.437
    4    HA   SER   1           HA       SER   1  -5.764  18.044  19.886
    5    HB2  SER   1           HB2      SER   1  -4.651  15.622  20.751
    6    HB3  SER   1           HB1      SER   1  -6.080  16.418  21.407
    7    HG   SER   1           HG       SER   1  -7.088  14.702  20.745
    8    HA   PRO   2           HA       PRO   2  -1.536  16.362  18.409
    9    HB2  PRO   2           HB2      PRO   2  -1.403  14.320  16.675
   10    HB3  PRO   2           HB1      PRO   2  -1.623  14.054  18.406
   11    HG2  PRO   2           HG2      PRO   2  -3.668  14.036  16.217
   12    HG3  PRO   2           HG1      PRO   2  -3.472  12.909  17.572
   13    HD2  PRO   2           HD2      PRO   2  -5.285  14.948  17.564
   14    HD3  PRO   2           HD1      PRO   2  -4.551  14.301  19.045
   15    HA   PRO   3           HA       PRO   3  -1.476  18.579  14.565
   16    HB2  PRO   3           HB2      PRO   3   1.140  18.798  14.163
   17    HB3  PRO   3           HB1      PRO   3   0.376  19.535  15.576
   18    HG2  PRO   3           HG2      PRO   3   1.966  17.015  15.380
   19    HG3  PRO   3           HG1      PRO   3   1.963  18.242  16.657
   20    HD2  PRO   3           HD2      PRO   3   0.573  15.828  16.729
   21    HD3  PRO   3           HD1      PRO   3   0.240  17.239  17.752
   22    H    VAL   4           HN       VAL   4  -1.871  18.098  12.577
   23    HA   VAL   4           HA       VAL   4  -1.098  15.613  11.431
   24    HB   VAL   4           HB       VAL   4  -2.328  17.596   9.661
   25   HG11  VAL   4          HG11      VAL   4  -3.992  15.632   9.497
   26   HG12  VAL   4          HG12      VAL   4  -2.804  14.753  10.457
   27   HG13  VAL   4          HG13      VAL   4  -2.354  15.410   8.886
   28   HG21  VAL   4          HG21      VAL   4  -3.563  18.471  11.397
   29   HG22  VAL   4          HG22      VAL   4  -3.582  16.951  12.291
   30   HG23  VAL   4          HG23      VAL   4  -4.602  17.148  10.866
   31    H    CYS   5           HN       CYS   5   1.116  15.728  11.204
   32    HA   CYS   5           HA       CYS   5   2.471  17.955  10.087
   33    HB2  CYS   5           HB2      CYS   5   3.823  15.378   9.667
   34    HB3  CYS   5           HB1      CYS   5   4.385  16.817  10.498
   35    H    GLY   6           HN       GLY   6   1.689  18.619   8.177
   36    HA2  GLY   6           HA2      GLY   6   1.919  18.631   5.830
   37    HA3  GLY   6           HA1      GLY   6   2.200  16.896   5.873
   38    H    ASN   7           HN       ASN   7  -0.420  18.053   7.756
   39    HA   ASN   7           HA       ASN   7  -2.671  17.814   7.615
   40    HB2  ASN   7           HB2      ASN   7  -1.887  18.533   4.836
   41    HB3  ASN   7           HB1      ASN   7  -3.497  17.852   5.050
   42   HD21  ASN   7          HD21      ASN   7  -4.972  18.938   6.431
   43   HD22  ASN   7          HD22      ASN   7  -4.807  20.630   6.739
   44    H    LYS   8           HN       LYS   8  -4.068  16.113   7.633
   45    HA   LYS   8           HA       LYS   8  -3.164  13.536   7.396
   46    HB2  LYS   8           HB2      LYS   8  -5.389  14.495   8.385
   47    HB3  LYS   8           HB1      LYS   8  -6.040  14.119   6.795
   48    HG2  LYS   8           HG2      LYS   8  -4.750  12.175   8.699
   49    HG3  LYS   8           HG1      LYS   8  -6.472  12.309   8.340
   50    HD2  LYS   8           HD2      LYS   8  -5.582  11.964   5.855
   51    HD3  LYS   8           HD1      LYS   8  -4.269  11.153   6.711
   52    HE2  LYS   8           HE2      LYS   8  -5.900   9.503   6.177
   53    HE3  LYS   8           HE1      LYS   8  -6.003   9.805   7.911
   54    HZ1  LYS   8           HZ1      LYS   8  -7.935  10.362   5.814
   55    HZ2  LYS   8           HZ2      LYS   8  -7.793  11.545   7.015
   56    HZ3  LYS   8           HZ3      LYS   8  -8.184   9.955   7.437
   57    H    ILE   9           HN       ILE   9  -2.288  12.615   5.661
   58    HA   ILE   9           HA       ILE   9  -2.588  13.362   3.023
   59    HB   ILE   9           HB       ILE   9  -2.180  10.859   2.438
   60   HG12  ILE   9          HG12      ILE   9  -0.885   9.874   4.503
   61   HG13  ILE   9          HG11      ILE   9  -2.011  10.861   5.424
   62   HG21  ILE   9          HG21      ILE   9  -0.150  11.679   2.126
   63   HG22  ILE   9          HG22      ILE   9   0.191  11.543   3.847
   64   HG23  ILE   9          HG23      ILE   9  -0.529  13.018   3.203
   65   HD11  ILE   9          HD11      ILE   9  -3.853   9.645   4.687
   66   HD12  ILE   9          HD12      ILE   9  -2.618   8.428   4.983
   67   HD13  ILE   9          HD13      ILE   9  -2.962   8.948   3.337
   68    H    LEU  10           HN       LEU  10  -4.182  13.406   1.640
   69    HA   LEU  10           HA       LEU  10  -6.693  12.196   2.337
   70    HB2  LEU  10           HB2      LEU  10  -7.487  13.387   0.246
   71    HB3  LEU  10           HB1      LEU  10  -6.912  14.386   1.566
   72    HG   LEU  10           HG       LEU  10  -6.231  14.917  -0.900
   73   HD11  LEU  10          HD11      LEU  10  -4.847  16.372   0.044
   74   HD12  LEU  10          HD12      LEU  10  -3.799  15.097   0.665
   75   HD13  LEU  10          HD13      LEU  10  -5.228  15.585   1.576
   76   HD21  LEU  10          HD21      LEU  10  -4.165  13.934  -1.629
   77   HD22  LEU  10          HD22      LEU  10  -5.346  12.653  -1.359
   78   HD23  LEU  10          HD23      LEU  10  -4.074  12.942  -0.174
   79    H    GLU  11           HN       GLU  11  -4.224  10.738   1.079
   80    HA   GLU  11           HA       GLU  11  -5.659   8.641  -0.063
   81    HB2  GLU  11           HB2      GLU  11  -5.214   8.865  -2.435
   82    HB3  GLU  11           HB1      GLU  11  -6.127  10.255  -1.870
   83    HG2  GLU  11           HG2      GLU  11  -3.722  11.296  -1.600
   84    HG3  GLU  11           HG1      GLU  11  -3.318  10.081  -2.813
   85    H    GLN  12           HN       GLN  12  -3.240   9.175   1.607
   86    HA   GLN  12           HA       GLN  12  -1.694   7.012   0.679
   87    HB2  GLN  12           HB2      GLN  12   0.326   8.104  -0.006
   88    HB3  GLN  12           HB1      GLN  12  -0.999   8.643  -1.017
   89    HG2  GLN  12           HG2      GLN  12  -1.049  10.570   0.844
   90    HG3  GLN  12           HG1      GLN  12   0.667  10.155   0.905
   91   HE21  GLN  12          HE21      GLN  12   1.854  11.385  -0.343
   92   HE22  GLN  12          HE22      GLN  12   1.388  12.068  -1.860
   93    H    GLY  13           HN       GLY  13  -1.825   6.348   2.825
   94    HA2  GLY  13           HA2      GLY  13  -0.679   8.011   4.915
   95    HA3  GLY  13           HA1      GLY  13  -1.392   6.419   5.122
   96    H    GLU  14           HN       GLU  14   1.290   7.653   3.131
   97    HA   GLU  14           HA       GLU  14   3.445   6.709   4.540
   98    HB2  GLU  14           HB2      GLU  14   1.935   4.523   3.553
   99    HB3  GLU  14           HB1      GLU  14   3.403   4.610   2.593
  100    HG2  GLU  14           HG2      GLU  14   4.678   4.701   4.761
  101    HG3  GLU  14           HG1      GLU  14   3.162   4.303   5.567
  102    H    ASP  15           HN       ASP  15   1.960   7.143   1.427
  103    HA   ASP  15           HA       ASP  15   4.172   7.224  -0.236
  104    HB2  ASP  15           HB2      ASP  15   1.756   7.411  -0.908
  105    HB3  ASP  15           HB1      ASP  15   1.807   9.092  -0.380
  106    H    CYS  16           HN       CYS  16   2.661   9.934   1.513
  107    HA   CYS  16           HA       CYS  16   4.957  11.144   2.402
  108    HB2  CYS  16           HB2      CYS  16   5.914  11.627   0.380
  109    HB3  CYS  16           HB1      CYS  16   4.367  11.729  -0.451
  110    H    ASP  17           HN       ASP  17   4.422  12.670   3.770
  111    HA   ASP  17           HA       ASP  17   3.353  14.399   4.795
  112    HB2  ASP  17           HB2      ASP  17   2.487  14.684   2.128
  113    HB3  ASP  17           HB1      ASP  17   1.035  14.772   3.119
  114    H    CYS  18           HN       CYS  18   2.887  11.705   5.412
  115    HA   CYS  18           HA       CYS  18   0.451  10.634   5.602
  116    HB2  CYS  18           HB2      CYS  18   2.780  10.339   7.075
  117    HB3  CYS  18           HB1      CYS  18   1.574  10.747   8.297
  118    H    GLY  19           HN       GLY  19   1.472  13.514   7.343
  119    HA2  GLY  19           HA2      GLY  19   0.233  15.123   8.434
  120    HA3  GLY  19           HA1      GLY  19  -1.169  14.471   7.602
  121    H    SER  20           HN       SER  20  -1.859  12.223   8.534
  122    HA   SER  20           HA       SER  20  -2.832  12.648  11.051
  123    HB2  SER  20           HB2      SER  20  -3.639  10.479  11.030
  124    HB3  SER  20           HB1      SER  20  -3.449  10.844   9.317
  125    HG   SER  20           HG       SER  20  -1.877   9.197  10.970
  126    HA   PRO  21           HA       PRO  21   1.068  12.566  13.236
  127    HB2  PRO  21           HB2      PRO  21  -0.283  12.952  15.679
  128    HB3  PRO  21           HB1      PRO  21   0.468  14.196  14.679
  129    HG2  PRO  21           HG2      PRO  21  -2.379  13.405  14.892
  130    HG3  PRO  21           HG1      PRO  21  -1.674  14.982  14.499
  131    HD2  PRO  21           HD2      PRO  21  -2.831  13.388  12.644
  132    HD3  PRO  21           HD1      PRO  21  -1.488  14.471  12.267
  133    H    ALA  22           HN       ALA  22  -1.816  10.686  13.890
  134    HA   ALA  22           HA       ALA  22  -0.907   8.991  15.888
  135    HB1  ALA  22           HB1      ALA  22  -2.790   8.557  13.590
  136    HB2  ALA  22           HB2      ALA  22  -3.161   8.767  15.302
  137    HB3  ALA  22           HB3      ALA  22  -2.425   7.268  14.737
  138    H    ASN  23           HN       ASN  23   0.021   9.232  12.575
  139    HA   ASN  23           HA       ASN  23   1.707   6.835  12.841
  140    HB2  ASN  23           HB2      ASN  23   0.734   8.079  10.262
  141    HB3  ASN  23           HB1      ASN  23   1.565   6.536  10.460
  142   HD21  ASN  23          HD21      ASN  23  -0.673   6.436   9.087
  143   HD22  ASN  23          HD22      ASN  23  -1.965   5.752  10.007
  144    H    CYS  24           HN       CYS  24   1.664  10.234  12.447
  145    HA   CYS  24           HA       CYS  24   3.992  10.710  10.982
  146    HB2  CYS  24           HB2      CYS  24   2.289  12.422  11.698
  147    HB3  CYS  24           HB1      CYS  24   2.996  12.365  13.308
  148    H    GLN  25           HN       GLN  25   6.098  10.513  11.398
  149    HA   GLN  25           HA       GLN  25   8.034   9.949  12.454
  150    HB2  GLN  25           HB2      GLN  25   6.844  11.028  14.998
  151    HB3  GLN  25           HB1      GLN  25   8.524  11.048  14.480
  152    HG2  GLN  25           HG2      GLN  25   7.030  12.466  12.546
  153    HG3  GLN  25           HG1      GLN  25   6.518  13.033  14.135
  154   HE21  GLN  25          HE21      GLN  25   7.873  14.264  15.334
  155   HE22  GLN  25          HE22      GLN  25   9.427  14.795  14.799
  156    H    ASP  26           HN       ASP  26   5.825   8.043  12.410
  157    HA   ASP  26           HA       ASP  26   6.935   6.009  13.991
  158    HB2  ASP  26           HB2      ASP  26   5.470   7.657  15.581
  159    HB3  ASP  26           HB1      ASP  26   4.235   6.503  15.087
  160    H    ARG  27           HN       ARG  27   4.604   4.445  14.421
  161    HA   ARG  27           HA       ARG  27   3.299   2.953  13.324
  162    HB2  ARG  27           HB2      ARG  27   1.832   4.835  12.982
  163    HB3  ARG  27           HB1      ARG  27   2.775   5.378  11.603
  164    HG2  ARG  27           HG2      ARG  27   1.395   4.242  10.297
  165    HG3  ARG  27           HG1      ARG  27   2.033   2.754  10.997
  166    HD2  ARG  27           HD2      ARG  27   0.075   4.004  12.729
  167    HD3  ARG  27           HD1      ARG  27  -0.586   3.673  11.129
  168    HE   ARG  27           HE       ARG  27  -0.479   1.427  11.578
  169   HH11  ARG  27          HH11      ARG  27   1.383   3.159  13.969
  170   HH12  ARG  27          HH12      ARG  27   1.619   1.769  14.974
  171   HH21  ARG  27          HH21      ARG  27  -0.170  -0.402  12.899
  172   HH22  ARG  27          HH22      ARG  27   0.738  -0.253  14.367
  173    H    CYS  28           HN       CYS  28   3.739   4.440  10.214
  174    HA   CYS  28           HA       CYS  28   6.036   2.902   9.482
  175    HB2  CYS  28           HB2      CYS  28   3.680   1.488   9.442
  176    HB3  CYS  28           HB1      CYS  28   3.797   2.059   7.781
  177    H    CYS  29           HN       CYS  29   4.827   5.661   9.339
  178    HA   CYS  29           HA       CYS  29   5.519   6.134   6.531
  179    HB2  CYS  29           HB2      CYS  29   3.614   7.580   6.161
  180    HB3  CYS  29           HB1      CYS  29   3.050   5.979   6.633
  181    H    ASN  30           HN       ASN  30   5.859   8.406   6.046
  182    HA   ASN  30           HA       ASN  30   6.966   9.837   8.368
  183    HB2  ASN  30           HB2      ASN  30   7.902   9.571   5.531
  184    HB3  ASN  30           HB1      ASN  30   8.353  10.965   6.489
  185   HD21  ASN  30          HD21      ASN  30   8.757   9.914   8.947
  186   HD22  ASN  30          HD22      ASN  30  10.058   8.778   8.911
  187    H    ALA  31           HN       ALA  31   5.252  11.043   8.896
  188    HA   ALA  31           HA       ALA  31   3.816  12.608   6.937
  189    HB1  ALA  31           HB1      ALA  31   2.295  12.368   8.577
  190    HB2  ALA  31           HB2      ALA  31   3.156  13.661   9.399
  191    HB3  ALA  31           HB3      ALA  31   3.523  11.982   9.774
  192    H    ALA  32           HN       ALA  32   6.564  12.870   8.963
  193    HA   ALA  32           HA       ALA  32   6.767  15.771   8.516
  194    HB1  ALA  32           HB1      ALA  32   6.986  14.849  10.844
  195    HB2  ALA  32           HB2      ALA  32   8.344  15.834  10.298
  196    HB3  ALA  32           HB3      ALA  32   8.482  14.075  10.319
  197    H    THR  33           HN       THR  33   7.660  12.978   7.031
  198    HA   THR  33           HA       THR  33  10.131  14.185   6.003
  199    HB   THR  33           HB       THR  33  10.117  11.308   5.751
  200    HG1  THR  33           HG1      THR  33   9.985  12.366   8.381
  201   HG21  THR  33          HG21      THR  33  11.943  12.845   7.517
  202   HG22  THR  33          HG22      THR  33  12.055  13.006   5.764
  203   HG23  THR  33          HG23      THR  33  12.268  11.427   6.521
  204    H    CYS  34           HN       CYS  34   7.075  13.530   5.160
  205    HA   CYS  34           HA       CYS  34   5.972  13.188   3.201
  206    HB2  CYS  34           HB2      CYS  34   7.005  15.250   2.592
  207    HB3  CYS  34           HB1      CYS  34   8.534  14.457   2.243
  208    H    LYS  35           HN       LYS  35   6.894  10.780   4.036
  209    HA   LYS  35           HA       LYS  35   7.036   9.329   1.623
  210    HB2  LYS  35           HB2      LYS  35   9.581  10.137   2.782
  211    HB3  LYS  35           HB1      LYS  35   9.448   8.397   2.565
  212    HG2  LYS  35           HG2      LYS  35   8.533   9.923   0.256
  213    HG3  LYS  35           HG1      LYS  35  10.232  10.189   0.654
  214    HD2  LYS  35           HD2      LYS  35   9.368   7.383   0.739
  215    HD3  LYS  35           HD1      LYS  35   9.298   8.131  -0.858
  216    HE2  LYS  35           HE2      LYS  35  11.550   8.341  -1.008
  217    HE3  LYS  35           HE1      LYS  35  11.745   8.629   0.721
  218    HZ1  LYS  35           HZ1      LYS  35  12.689   6.495  -0.059
  219    HZ2  LYS  35           HZ2      LYS  35  11.130   5.977  -0.462
  220    HZ3  LYS  35           HZ3      LYS  35  11.520   6.306   1.150
  221    H    LEU  36           HN       LEU  36   7.914   6.997   2.109
  222    HA   LEU  36           HA       LEU  36   6.282   5.996   4.277
  223    HB2  LEU  36           HB2      LEU  36   7.190   3.753   3.421
  224    HB3  LEU  36           HB1      LEU  36   6.127   4.663   2.365
  225    HG   LEU  36           HG       LEU  36   8.924   5.320   1.908
  226   HD11  LEU  36          HD11      LEU  36   8.068   2.463   1.477
  227   HD12  LEU  36          HD12      LEU  36   9.296   3.021   2.612
  228   HD13  LEU  36          HD13      LEU  36   9.554   3.199   0.877
  229   HD21  LEU  36          HD21      LEU  36   6.736   5.642   0.504
  230   HD22  LEU  36          HD22      LEU  36   7.120   4.021  -0.076
  231   HD23  LEU  36          HD23      LEU  36   8.278   5.333  -0.293
  232    H    THR  37           HN       THR  37   7.237   4.289   5.777
  233    HA   THR  37           HA       THR  37   9.641   5.415   6.938
  234    HB   THR  37           HB       THR  37   9.206   3.611   8.703
  235    HG1  THR  37           HG1      THR  37   7.739   2.237   8.169
  236   HG21  THR  37          HG21      THR  37   8.578   5.667   9.453
  237   HG22  THR  37          HG22      THR  37   7.026   4.829   9.450
  238   HG23  THR  37          HG23      THR  37   7.438   5.929   8.134
  239    HA   PRO  38           HA       PRO  38  12.800   2.754   5.437
  240    HB2  PRO  38           HB2      PRO  38  13.372   2.383   8.353
  241    HB3  PRO  38           HB1      PRO  38  14.490   2.751   7.032
  242    HG2  PRO  38           HG2      PRO  38  13.721   4.672   8.674
  243    HG3  PRO  38           HG1      PRO  38  13.823   4.986   6.930
  244    HD2  PRO  38           HD2      PRO  38  11.419   4.549   8.643
  245    HD3  PRO  38           HD1      PRO  38  11.625   5.607   7.232
  246    H    GLY  39           HN       GLY  39  13.089   0.602   5.037
  247    HA2  GLY  39           HA2      GLY  39  12.993  -1.706   5.507
  248    HA3  GLY  39           HA1      GLY  39  11.912  -1.365   6.848
  249    H    SER  40           HN       SER  40  10.007   0.203   5.465
  250    HA   SER  40           HA       SER  40   8.302  -1.782   4.487
  251    HB2  SER  40           HB2      SER  40   6.754  -0.073   4.067
  252    HB3  SER  40           HB1      SER  40   7.753   0.595   5.358
  253    HG   SER  40           HG       SER  40   7.257   1.775   3.164
  254    H    GLN  41           HN       GLN  41   7.524  -2.222   2.383
  255    HA   GLN  41           HA       GLN  41   9.538  -1.752   0.304
  256    HB2  GLN  41           HB2      GLN  41   7.581  -3.917   0.865
  257    HB3  GLN  41           HB1      GLN  41   7.942  -3.585  -0.824
  258    HG2  GLN  41           HG2      GLN  41  10.386  -3.804  -0.196
  259    HG3  GLN  41           HG1      GLN  41   9.826  -4.458   1.342
  260   HE21  GLN  41          HE21      GLN  41   8.047  -6.200   0.987
  261   HE22  GLN  41          HE22      GLN  41   8.443  -7.412  -0.178
  262    H    CYS  42           HN       CYS  42   6.158  -1.260   1.065
  263    HA   CYS  42           HA       CYS  42   5.947   0.536  -1.229
  264    HB2  CYS  42           HB2      CYS  42   5.061  -1.610  -2.022
  265    HB3  CYS  42           HB1      CYS  42   3.945  -1.657  -0.661
  266    H    ASN  43           HN       ASN  43   4.632   2.264  -0.924
  267    HA   ASN  43           HA       ASN  43   3.927   2.917   1.767
  268    HB2  ASN  43           HB2      ASN  43   2.971   4.997   0.689
  269    HB3  ASN  43           HB1      ASN  43   4.677   4.704   0.363
  270   HD21  ASN  43          HD21      ASN  43   5.282   4.909  -1.659
  271   HD22  ASN  43          HD22      ASN  43   4.267   4.764  -3.049
  272    H    TYR  44           HN       TYR  44   2.185   1.991  -1.136
  273    HA   TYR  44           HA       TYR  44   0.055   0.787   0.204
  274    HB2  TYR  44           HB2      TYR  44  -1.756   2.326  -0.028
  275    HB3  TYR  44           HB1      TYR  44  -0.456   3.198   0.775
  276    HD1  TYR  44           HD2      TYR  44  -1.883   2.605  -2.625
  277    HD2  TYR  44           HD1      TYR  44   0.182   5.277  -0.033
  278    HE1  TYR  44           HE2      TYR  44  -2.004   4.355  -4.344
  279    HE2  TYR  44           HE1      TYR  44   0.066   7.035  -1.743
  280    HH   TYR  44           HH       TYR  44  -0.175   7.178  -4.228
  281    H    GLY  45           HN       GLY  45  -1.764   0.230  -1.324
  282    HA2  GLY  45           HA2      GLY  45  -2.222   0.524  -3.859
  283    HA3  GLY  45           HA1      GLY  45  -0.610  -0.161  -3.999
  284    H    GLU  46           HN       GLU  46  -2.093  -1.653  -5.326
  285    HA   GLU  46           HA       GLU  46  -3.860  -3.445  -4.125
  286    HB2  GLU  46           HB2      GLU  46  -2.136  -3.565  -6.574
  287    HB3  GLU  46           HB1      GLU  46  -3.047  -4.983  -6.071
  288    HG2  GLU  46           HG2      GLU  46  -4.785  -4.179  -7.171
  289    HG3  GLU  46           HG1      GLU  46  -4.872  -2.878  -5.984
  290    H    CYS  47           HN       CYS  47  -0.365  -3.718  -4.652
  291    HA   CYS  47           HA       CYS  47  -0.322  -6.150  -3.002
  292    HB2  CYS  47           HB2      CYS  47   1.540  -4.970  -5.034
  293    HB3  CYS  47           HB1      CYS  47   2.149  -6.118  -3.850
  294    H    CYS  48           HN       CYS  48  -0.721  -3.621  -1.710
  295    HA   CYS  48           HA       CYS  48   1.767  -3.533  -0.150
  296    HB2  CYS  48           HB2      CYS  48   0.183  -1.036  -0.680
  297    HB3  CYS  48           HB1      CYS  48   1.843  -1.189  -0.114
  298    H    ASP  49           HN       ASP  49   1.277  -4.303   1.765
  299    HA   ASP  49           HA       ASP  49  -1.057  -3.213   3.172
  300    HB2  ASP  49           HB2      ASP  49  -1.146  -5.726   2.190
  301    HB3  ASP  49           HB1      ASP  49  -0.370  -6.043   3.739
  302    H    GLN  50           HN       GLN  50  -0.587  -2.506   5.164
  303    HA   GLN  50           HA       GLN  50   0.532  -2.098   7.104
  304    HB2  GLN  50           HB2      GLN  50   1.192  -4.867   6.491
  305    HB3  GLN  50           HB1      GLN  50   2.487  -4.063   7.366
  306    HG2  GLN  50           HG2      GLN  50  -0.390  -4.200   8.241
  307    HG3  GLN  50           HG1      GLN  50   0.922  -5.205   8.857
  308   HE21  GLN  50          HE21      GLN  50   2.073  -4.483  10.521
  309   HE22  GLN  50          HE22      GLN  50   1.994  -2.886  11.175
  310    H    CYS  51           HN       CYS  51   3.081  -3.660   5.163
  311    HA   CYS  51           HA       CYS  51   4.314  -1.320   4.266
  312    HB2  CYS  51           HB2      CYS  51   4.932  -2.049   7.029
  313    HB3  CYS  51           HB1      CYS  51   6.368  -1.906   6.023
  314    H    ARG  52           HN       ARG  52   3.718  -3.949   3.337
  315    HA   ARG  52           HA       ARG  52   6.296  -4.624   2.225
  316    HB2  ARG  52           HB2      ARG  52   4.920  -6.349   4.221
  317    HB3  ARG  52           HB1      ARG  52   5.670  -7.144   2.843
  318    HG2  ARG  52           HG2      ARG  52   7.475  -5.215   3.951
  319    HG3  ARG  52           HG1      ARG  52   6.889  -6.294   5.218
  320    HD2  ARG  52           HD2      ARG  52   7.745  -8.186   4.176
  321    HD3  ARG  52           HD1      ARG  52   7.830  -7.398   2.601
  322    HE   ARG  52           HE       ARG  52   9.592  -5.985   4.084
  323   HH11  ARG  52          HH11      ARG  52   9.180  -9.401   3.498
  324   HH12  ARG  52          HH12      ARG  52  10.864  -9.762   3.675
  325   HH21  ARG  52          HH21      ARG  52  11.808  -6.458   4.317
  326   HH22  ARG  52          HH22      ARG  52  12.356  -8.091   4.140
  327    H    PHE  53           HN       PHE  53   6.071  -6.405   0.558
  328    HA   PHE  53           HA       PHE  53   3.773  -5.833  -1.058
  329    HB2  PHE  53           HB2      PHE  53   6.170  -7.615  -1.447
  330    HB3  PHE  53           HB1      PHE  53   4.834  -7.597  -2.596
  331    HD1  PHE  53           HD2      PHE  53   4.156  -4.722  -2.571
  332    HD2  PHE  53           HD1      PHE  53   7.929  -6.680  -2.664
  333    HE1  PHE  53           HE2      PHE  53   5.122  -2.778  -3.692
  334    HE2  PHE  53           HE1      PHE  53   8.913  -4.727  -3.793
  335    HZ   PHE  53           HZ       PHE  53   7.510  -2.769  -4.312
  336    H    LYS  54           HN       LYS  54   2.016  -7.051  -1.452
  337    HA   LYS  54           HA       LYS  54   1.221  -8.987   0.421
  338    HB2  LYS  54           HB2      LYS  54   0.169  -8.242  -2.303
  339    HB3  LYS  54           HB1      LYS  54  -0.580  -9.503  -1.334
  340    HG2  LYS  54           HG2      LYS  54  -0.163  -6.712  -0.309
  341    HG3  LYS  54           HG1      LYS  54  -1.611  -7.204  -1.189
  342    HD2  LYS  54           HD2      LYS  54  -1.554  -9.162   0.615
  343    HD3  LYS  54           HD1      LYS  54  -0.703  -7.925   1.542
  344    HE2  LYS  54           HE2      LYS  54  -2.995  -7.699   2.082
  345    HE3  LYS  54           HE1      LYS  54  -2.611  -6.370   0.988
  346    HZ1  LYS  54           HZ1      LYS  54  -3.469  -7.899  -0.829
  347    HZ2  LYS  54           HZ2      LYS  54  -4.620  -7.233   0.215
  348    HZ3  LYS  54           HZ3      LYS  54  -4.131  -8.840   0.411
  349    H    LYS  55           HN       LYS  55   2.686 -10.640   0.604
  350    HA   LYS  55           HA       LYS  55   4.218 -12.066  -0.939
  351    HB2  LYS  55           HB2      LYS  55   3.622 -12.753   1.348
  352    HB3  LYS  55           HB1      LYS  55   2.100 -13.402   0.753
  353    HG2  LYS  55           HG2      LYS  55   3.178 -15.133  -0.423
  354    HG3  LYS  55           HG1      LYS  55   4.759 -14.367  -0.251
  355    HD2  LYS  55           HD2      LYS  55   3.267 -15.076   2.222
  356    HD3  LYS  55           HD1      LYS  55   4.009 -16.382   1.296
  357    HE2  LYS  55           HE2      LYS  55   6.092 -14.772   1.334
  358    HE3  LYS  55           HE1      LYS  55   5.283 -14.120   2.759
  359    HZ1  LYS  55           HZ1      LYS  55   5.677 -15.981   3.946
  360    HZ2  LYS  55           HZ2      LYS  55   6.962 -16.160   2.861
  361    HZ3  LYS  55           HZ3      LYS  55   5.525 -17.018   2.617
  362    H    ALA  56           HN       ALA  56   4.251 -13.141  -2.806
  363    HA   ALA  56           HA       ALA  56   2.323 -13.087  -4.703
  364    HB1  ALA  56           HB1      ALA  56   4.585 -14.952  -4.222
  365    HB2  ALA  56           HB2      ALA  56   4.302 -13.834  -5.557
  366    HB3  ALA  56           HB3      ALA  56   3.415 -15.357  -5.478
  367    H    GLY  57           HN       GLY  57   0.394 -13.966  -5.009
  368    HA2  GLY  57           HA2      GLY  57  -0.937 -16.048  -5.030
  369    HA3  GLY  57           HA1      GLY  57  -0.287 -16.377  -3.429
  370    H    THR  58           HN       THR  58  -0.653 -13.214  -3.263
  371    HA   THR  58           HA       THR  58  -3.176 -13.392  -1.869
  372    HB   THR  58           HB       THR  58  -1.329 -11.039  -2.364
  373    HG1  THR  58           HG1      THR  58  -0.216 -11.933  -0.845
  374   HG21  THR  58          HG21      THR  58  -3.017 -10.920  -0.012
  375   HG22  THR  58          HG22      THR  58  -3.939 -10.907  -1.517
  376   HG23  THR  58          HG23      THR  58  -2.683  -9.697  -1.239
  377    H    VAL  59           HN       VAL  59  -4.964 -13.446  -3.149
  378    HA   VAL  59           HA       VAL  59  -5.116 -12.260  -5.705
  379    HB   VAL  59           HB       VAL  59  -6.605 -14.108  -4.989
  380   HG11  VAL  59          HG11      VAL  59  -8.062 -13.987  -3.286
  381   HG12  VAL  59          HG12      VAL  59  -8.518 -12.325  -3.662
  382   HG13  VAL  59          HG13      VAL  59  -7.047 -12.649  -2.745
  383   HG21  VAL  59          HG21      VAL  59  -7.900 -11.579  -5.986
  384   HG22  VAL  59          HG22      VAL  59  -8.711 -13.144  -5.971
  385   HG23  VAL  59          HG23      VAL  59  -7.256 -12.914  -6.941
  386    H    CYS  60           HN       CYS  60  -5.272 -10.173  -6.220
  387    HA   CYS  60           HA       CYS  60  -6.462  -8.355  -4.225
  388    HB2  CYS  60           HB2      CYS  60  -4.747  -7.139  -6.286
  389    HB3  CYS  60           HB1      CYS  60  -4.846  -6.810  -4.562
  390    H    ARG  61           HN       ARG  61  -6.777  -9.602  -7.371
  391    HA   ARG  61           HA       ARG  61  -9.041  -7.863  -7.867
  392    HB2  ARG  61           HB2      ARG  61  -6.483  -7.568  -9.256
  393    HB3  ARG  61           HB1      ARG  61  -7.844  -7.777 -10.349
  394    HG2  ARG  61           HG2      ARG  61  -8.901  -5.938  -8.743
  395    HG3  ARG  61           HG1      ARG  61  -7.196  -5.542  -8.524
  396    HD2  ARG  61           HD2      ARG  61  -8.775  -5.592 -11.086
  397    HD3  ARG  61           HD1      ARG  61  -7.992  -4.209 -10.322
  398    HE   ARG  61           HE       ARG  61  -6.782  -6.129 -12.059
  399   HH11  ARG  61          HH11      ARG  61  -6.161  -3.963  -9.395
  400   HH12  ARG  61          HH12      ARG  61  -4.477  -3.797  -9.763
  401   HH21  ARG  61          HH21      ARG  61  -4.574  -5.916 -12.542
  402   HH22  ARG  61          HH22      ARG  61  -3.575  -4.905 -11.552
  403    H    ILE  62           HN       ILE  62  -9.834  -8.457 -10.275
  404    HA   ILE  62           HA       ILE  62  -9.454 -11.065 -11.218
  405    HB   ILE  62           HB       ILE  62 -12.131 -11.423 -10.564
  406   HG12  ILE  62          HG12      ILE  62 -12.366 -11.265  -8.214
  407   HG13  ILE  62          HG11      ILE  62 -10.667 -10.870  -7.988
  408   HG21  ILE  62          HG21      ILE  62  -9.682 -12.678  -9.355
  409   HG22  ILE  62          HG22      ILE  62 -10.489 -13.156 -10.849
  410   HG23  ILE  62          HG23      ILE  62 -11.312 -13.348  -9.300
  411   HD11  ILE  62          HD11      ILE  62 -11.022  -8.692  -8.312
  412   HD12  ILE  62          HD12      ILE  62 -12.719  -9.082  -8.025
  413   HD13  ILE  62          HD13      ILE  62 -12.105  -8.974  -9.674
  414    H    ALA  63           HN       ALA  63 -10.420 -11.332 -13.149
  415    HA   ALA  63           HA       ALA  63 -11.336  -9.057 -14.488
  416    HB1  ALA  63           HB1      ALA  63 -10.718 -11.760 -15.178
  417    HB2  ALA  63           HB2      ALA  63 -10.759 -10.330 -16.206
  418    HB3  ALA  63           HB3      ALA  63 -12.223 -11.278 -15.961
  419    H    ARG  64           HN       ARG  64 -13.373 -11.919 -14.650
  420    HA   ARG  64           HA       ARG  64 -15.553 -10.518 -13.315
  421    HB2  ARG  64           HB2      ARG  64 -15.455 -10.243 -15.963
  422    HB3  ARG  64           HB1      ARG  64 -16.231 -11.820 -15.907
  423    HG2  ARG  64           HG2      ARG  64 -17.931 -10.159 -16.046
  424    HG3  ARG  64           HG1      ARG  64 -17.968 -10.839 -14.418
  425    HD2  ARG  64           HD2      ARG  64 -16.270  -8.791 -14.028
  426    HD3  ARG  64           HD1      ARG  64 -17.250  -8.123 -15.332
  427    HE   ARG  64           HE       ARG  64 -18.809  -9.259 -13.208
  428   HH11  ARG  64          HH11      ARG  64 -17.119  -6.401 -14.283
  429   HH12  ARG  64          HH12      ARG  64 -18.066  -5.324 -13.312
  430   HH21  ARG  64          HH21      ARG  64 -20.056  -7.844 -11.931
  431   HH22  ARG  64          HH22      ARG  64 -19.733  -6.143 -11.976
  432    H    GLY  65           HN       GLY  65 -15.282 -12.142 -11.690
  433    HA2  GLY  65           HA2      GLY  65 -16.751 -14.046 -11.058
  434    HA3  GLY  65           HA1      GLY  65 -16.226 -14.803 -12.556
  435    H    ASP  66           HN       ASP  66 -14.415 -15.986 -12.586
  436    HA   ASP  66           HA       ASP  66 -12.195 -15.710 -10.977
  437    HB2  ASP  66           HB2      ASP  66 -12.561 -17.705  -9.421
  438    HB3  ASP  66           HB1      ASP  66 -13.408 -16.216  -9.013
  439    H    TRP  67           HN       TRP  67 -11.157 -16.271 -12.815
  440    HA   TRP  67           HA       TRP  67 -11.328 -19.102 -13.625
  441    HB2  TRP  67           HB2      TRP  67 -10.115 -17.634 -15.713
  442    HB3  TRP  67           HB1      TRP  67 -11.700 -18.398 -15.724
  443    HD1  TRP  67           HD1      TRP  67 -10.216 -14.990 -14.532
  444    HE1  TRP  67           HE1      TRP  67 -11.945 -13.176 -15.059
  445    HE3  TRP  67           HE3      TRP  67 -13.912 -17.928 -16.461
  446    HZ2  TRP  67           HZ2      TRP  67 -14.525 -12.998 -16.149
  447    HZ3  TRP  67           HZ3      TRP  67 -15.992 -16.856 -17.234
  448    HH2  TRP  67           HH2      TRP  67 -16.291 -14.436 -17.080
  449    H    ASN  68           HN       ASN  68  -9.144 -16.390 -14.133
  450    HA   ASN  68           HA       ASN  68  -6.857 -18.078 -13.422
  451    HB2  ASN  68           HB2      ASN  68  -6.510 -15.334 -14.548
  452    HB3  ASN  68           HB1      ASN  68  -5.543 -16.781 -14.812
  453   HD21  ASN  68          HD21      ASN  68  -8.647 -15.277 -15.570
  454   HD22  ASN  68          HD22      ASN  68  -8.857 -16.059 -17.095
  455    H    ASP  69           HN       ASP  69  -8.634 -15.214 -12.582
  456    HA   ASP  69           HA       ASP  69  -8.646 -13.874 -10.755
  457    HB2  ASP  69           HB2      ASP  69  -7.320 -16.341  -9.758
  458    HB3  ASP  69           HB1      ASP  69  -7.262 -14.904  -8.743
  459    H    ASP  70           HN       ASP  70  -7.521 -12.196  -9.865
  460    HA   ASP  70           HA       ASP  70  -4.877 -11.729 -10.955
  461    HB2  ASP  70           HB2      ASP  70  -6.731  -9.977 -10.873
  462    HB3  ASP  70           HB1      ASP  70  -6.458  -9.917  -9.138
  463    H    TYR  71           HN       TYR  71  -3.030 -12.062  -9.852
  464    HA   TYR  71           HA       TYR  71  -3.212 -12.206  -6.922
  465    HB2  TYR  71           HB2      TYR  71  -2.159 -14.248  -8.822
  466    HB3  TYR  71           HB1      TYR  71  -1.467 -14.115  -7.206
  467    HD1  TYR  71           HD2      TYR  71  -2.995 -14.282  -5.243
  468    HD2  TYR  71           HD1      TYR  71  -4.194 -15.350  -9.161
  469    HE1  TYR  71           HE2      TYR  71  -4.839 -15.588  -4.294
  470    HE2  TYR  71           HE1      TYR  71  -6.061 -16.653  -8.250
  471    HH   TYR  71           HH       TYR  71  -6.672 -17.784  -6.151
  472    H    CYS  72           HN       CYS  72  -1.542 -11.514  -5.756
  473    HA   CYS  72           HA       CYS  72   0.303  -9.722  -6.933
  474    HB2  CYS  72           HB2      CYS  72  -0.642  -9.718  -4.544
  475    HB3  CYS  72           HB1      CYS  72   0.587 -10.927  -4.190
  476    H    THR  73           HN       THR  73   2.700  -9.898  -6.585
  477    HA   THR  73           HA       THR  73   3.596 -12.669  -7.015
  478    HB   THR  73           HB       THR  73   5.071 -11.983  -8.698
  479    HG1  THR  73           HG1      THR  73   5.704  -9.881  -9.004
  480   HG21  THR  73          HG21      THR  73   2.471 -11.544  -9.115
  481   HG22  THR  73          HG22      THR  73   3.709 -11.244 -10.337
  482   HG23  THR  73          HG23      THR  73   3.084  -9.908  -9.369
  483    H    GLY  74           HN       GLY  74   3.585 -10.473  -4.714
  484    HA2  GLY  74           HA2      GLY  74   4.931  -9.939  -2.937
  485    HA3  GLY  74           HA1      GLY  74   5.664 -11.510  -3.218
  486    H    LYS  75           HN       LYS  75   5.803  -9.066  -5.685
  487    HA   LYS  75           HA       LYS  75   8.476  -8.241  -4.871
  488    HB2  LYS  75           HB2      LYS  75   7.920  -9.553  -7.535
  489    HB3  LYS  75           HB1      LYS  75   9.435  -8.789  -7.076
  490    HG2  LYS  75           HG2      LYS  75   9.461 -10.455  -5.129
  491    HG3  LYS  75           HG1      LYS  75   8.221 -11.321  -6.038
  492    HD2  LYS  75           HD2      LYS  75  10.100 -10.844  -7.961
  493    HD3  LYS  75           HD1      LYS  75  11.100 -11.086  -6.527
  494    HE2  LYS  75           HE2      LYS  75  10.890 -13.241  -7.320
  495    HE3  LYS  75           HE1      LYS  75   9.576 -13.161  -6.148
  496    HZ1  LYS  75           HZ1      LYS  75   9.433 -13.119  -9.091
  497    HZ2  LYS  75           HZ2      LYS  75   8.182 -12.447  -8.171
  498    HZ3  LYS  75           HZ3      LYS  75   8.575 -14.083  -7.995
  499    H    SER  76           HN       SER  76   5.657  -7.124  -5.476
  500    HA   SER  76           HA       SER  76   6.572  -4.644  -6.527
  501    HB2  SER  76           HB2      SER  76   5.193  -4.602  -8.572
  502    HB3  SER  76           HB1      SER  76   6.430  -5.856  -8.650
  503    HG   SER  76           HG       SER  76   4.805  -7.114  -9.085
  504    H    SER  77           HN       SER  77   4.782  -3.062  -6.772
  505    HA   SER  77           HA       SER  77   2.823  -3.481  -4.658
  506    HB2  SER  77           HB2      SER  77   2.361  -1.020  -5.039
  507    HB3  SER  77           HB1      SER  77   4.002  -1.402  -4.520
  508    HG   SER  77           HG       SER  77   3.570   0.079  -6.446
  509    H    ASP  78           HN       ASP  78   2.793  -4.435  -7.667
  510    HA   ASP  78           HA       ASP  78   0.014  -3.585  -8.155
  511    HB2  ASP  78           HB2      ASP  78   2.311  -3.987 -10.030
  512    HB3  ASP  78           HB1      ASP  78   0.676  -4.295 -10.606
  513    H    CYS  79           HN       CYS  79  -1.445  -5.111  -8.911
  514    HA   CYS  79           HA       CYS  79  -0.637  -7.925  -8.527
  515    HB2  CYS  79           HB2      CYS  79  -2.436  -6.579  -7.026
  516    HB3  CYS  79           HB1      CYS  79  -3.497  -7.182  -8.294
  517    HA   PRO  80           HA       PRO  80  -1.819  -7.892 -12.924
  518    HB2  PRO  80           HB2      PRO  80  -0.706 -10.281 -13.534
  519    HB3  PRO  80           HB1      PRO  80   0.246  -8.799 -13.381
  520    HG2  PRO  80           HG2      PRO  80  -0.162 -11.000 -11.390
  521    HG3  PRO  80           HG1      PRO  80   1.336 -10.161 -11.836
  522    HD2  PRO  80           HD2      PRO  80  -0.067  -9.542  -9.604
  523    HD3  PRO  80           HD1      PRO  80   0.853  -8.331 -10.518
  524    H    TRP  81           HN       TRP  81  -3.701  -8.549 -13.742
  525    HA   TRP  81           HA       TRP  81  -5.659  -9.967 -12.459
  526    HB2  TRP  81           HB2      TRP  81  -5.701 -10.523 -15.333
  527    HB3  TRP  81           HB1      TRP  81  -6.885  -9.701 -14.331
  528    HD1  TRP  81           HD1      TRP  81  -3.686  -8.970 -16.358
  529    HE1  TRP  81           HE1      TRP  81  -3.709  -6.476 -16.996
  530    HE3  TRP  81           HE3      TRP  81  -7.793  -7.523 -13.728
  531    HZ2  TRP  81           HZ2      TRP  81  -5.280  -4.197 -16.450
  532    HZ3  TRP  81           HZ3      TRP  81  -8.507  -5.165 -13.832
  533    HH2  TRP  81           HH2      TRP  81  -7.270  -3.534 -15.167
  534    H    ASN  82           HN       ASN  82  -2.990 -11.205 -14.267
  535    HA   ASN  82           HA       ASN  82  -2.040 -13.291 -14.303
  536    HB2  ASN  82           HB2      ASN  82  -3.568 -13.551 -12.093
  537    HB3  ASN  82           HB1      ASN  82  -4.381 -14.701 -13.150
  538   HD21  ASN  82          HD21      ASN  82  -2.114 -15.541 -14.607
  539   HD22  ASN  82          HD22      ASN  82  -1.113 -16.466 -13.547
  540    H    HIS  83           HN       HIS  83  -3.715 -12.058 -16.267
  541    HA   HIS  83           HA       HIS  83  -5.052 -14.340 -17.537
  542    HB2  HIS  83           HB2      HIS  83  -5.204 -11.385 -18.190
  543    HB3  HIS  83           HB1      HIS  83  -6.140 -12.661 -18.967
  544    HD1  HIS  83           HD1      HIS  83  -7.254 -10.181 -17.246
  545    HD2  HIS  83           HD2      HIS  83  -6.930 -14.136 -16.024
  546    HE1  HIS  83           HE1      HIS  83  -8.899 -10.441 -15.362
  547    HE2  HIS  83           HE2      HIS  83  -8.632 -12.822 -14.589
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1  -7.310  23.091  14.049
    2    H2   SER   1           HT2      SER   1  -8.721  22.612  14.902
    3    H3   SER   1           HT3      SER   1  -8.848  23.225  13.304
    4    HA   SER   1           HA       SER   1  -9.086  20.820  13.468
    5    HB2  SER   1           HB2      SER   1  -6.600  21.606  11.949
    6    HB3  SER   1           HB1      SER   1  -7.851  20.456  11.479
    7    HG   SER   1           HG       SER   1  -8.833  22.049  10.551
    8    HA   PRO   2           HA       PRO   2  -6.301  18.529  16.007
    9    HB2  PRO   2           HB2      PRO   2  -6.237  16.126  14.749
   10    HB3  PRO   2           HB1      PRO   2  -7.643  16.695  15.657
   11    HG2  PRO   2           HG2      PRO   2  -7.150  16.741  12.704
   12    HG3  PRO   2           HG1      PRO   2  -8.626  16.305  13.585
   13    HD2  PRO   2           HD2      PRO   2  -8.284  18.727  12.425
   14    HD3  PRO   2           HD1      PRO   2  -9.233  18.505  13.909
   15    HA   PRO   3           HA       PRO   3  -2.193  18.636  14.379
   16    HB2  PRO   3           HB2      PRO   3  -0.983  16.598  15.702
   17    HB3  PRO   3           HB1      PRO   3  -1.419  18.122  16.482
   18    HG2  PRO   3           HG2      PRO   3  -2.860  15.498  16.512
   19    HG3  PRO   3           HG1      PRO   3  -2.564  16.627  17.847
   20    HD2  PRO   3           HD2      PRO   3  -4.937  16.500  16.554
   21    HD3  PRO   3           HD1      PRO   3  -4.299  18.015  17.226
   22    H    VAL   4           HN       VAL   4  -1.388  18.050  12.542
   23    HA   VAL   4           HA       VAL   4  -1.289  15.308  11.731
   24    HB   VAL   4           HB       VAL   4  -2.240  17.019   9.564
   25   HG11  VAL   4          HG11      VAL   4  -3.880  14.911   9.596
   26   HG12  VAL   4          HG12      VAL   4  -2.565  14.261  10.571
   27   HG13  VAL   4          HG13      VAL   4  -2.248  14.841   8.939
   28   HG21  VAL   4          HG21      VAL   4  -4.565  17.089  10.232
   29   HG22  VAL   4          HG22      VAL   4  -3.577  17.949  11.413
   30   HG23  VAL   4          HG23      VAL   4  -4.170  16.328  11.773
   31    H    CYS   5           HN       CYS   5   0.935  15.509  11.872
   32    HA   CYS   5           HA       CYS   5   2.397  17.648  10.720
   33    HB2  CYS   5           HB2      CYS   5   4.266  15.707  10.751
   34    HB3  CYS   5           HB1      CYS   5   3.794  16.593  12.192
   35    H    GLY   6           HN       GLY   6   1.874  18.041   8.658
   36    HA2  GLY   6           HA2      GLY   6   2.608  17.714   6.390
   37    HA3  GLY   6           HA1      GLY   6   2.597  15.979   6.684
   38    H    ASN   7           HN       ASN   7  -0.042  17.713   7.994
   39    HA   ASN   7           HA       ASN   7  -2.262  17.776   7.549
   40    HB2  ASN   7           HB2      ASN   7  -1.058  17.986   4.822
   41    HB3  ASN   7           HB1      ASN   7  -2.789  17.663   4.934
   42   HD21  ASN   7          HD21      ASN   7  -0.281  19.835   6.178
   43   HD22  ASN   7          HD22      ASN   7  -1.285  21.240   6.240
   44    H    LYS   8           HN       LYS   8  -3.817  16.264   7.694
   45    HA   LYS   8           HA       LYS   8  -3.349  13.574   7.706
   46    HB2  LYS   8           HB2      LYS   8  -5.415  14.687   8.560
   47    HB3  LYS   8           HB1      LYS   8  -5.972  14.850   6.902
   48    HG2  LYS   8           HG2      LYS   8  -7.007  12.953   8.049
   49    HG3  LYS   8           HG1      LYS   8  -6.053  12.447   6.653
   50    HD2  LYS   8           HD2      LYS   8  -5.681  10.964   8.557
   51    HD3  LYS   8           HD1      LYS   8  -4.206  11.834   8.133
   52    HE2  LYS   8           HE2      LYS   8  -4.122  12.877  10.112
   53    HE3  LYS   8           HE1      LYS   8  -5.848  13.234  10.095
   54    HZ1  LYS   8           HZ1      LYS   8  -6.324  11.414  11.299
   55    HZ2  LYS   8           HZ2      LYS   8  -4.707  11.524  11.786
   56    HZ3  LYS   8           HZ3      LYS   8  -5.147  10.456  10.550
   57    H    ILE   9           HN       ILE   9  -2.252  12.627   6.032
   58    HA   ILE   9           HA       ILE   9  -2.442  13.222   3.355
   59    HB   ILE   9           HB       ILE   9  -1.846  10.815   2.850
   60   HG12  ILE   9          HG12      ILE   9  -0.938   9.672   5.005
   61   HG13  ILE   9          HG11      ILE   9  -2.134  10.665   5.834
   62   HG21  ILE   9          HG21      ILE   9   0.410  11.083   3.781
   63   HG22  ILE   9          HG22      ILE   9  -0.199  12.360   4.824
   64   HG23  ILE   9          HG23      ILE   9  -0.208  12.578   3.079
   65   HD11  ILE   9          HD11      ILE   9  -3.377   9.380   3.619
   66   HD12  ILE   9          HD12      ILE   9  -3.711   9.200   5.341
   67   HD13  ILE   9          HD13      ILE   9  -2.497   8.182   4.567
   68    H    LEU  10           HN       LEU  10  -3.962  13.213   1.930
   69    HA   LEU  10           HA       LEU  10  -6.446  11.853   2.509
   70    HB2  LEU  10           HB2      LEU  10  -7.295  13.165   0.556
   71    HB3  LEU  10           HB1      LEU  10  -6.678  14.125   1.888
   72    HG   LEU  10           HG       LEU  10  -6.112  14.739  -0.601
   73   HD11  LEU  10          HD11      LEU  10  -5.121  16.252   0.695
   74   HD12  LEU  10          HD12      LEU  10  -3.666  15.273   0.511
   75   HD13  LEU  10          HD13      LEU  10  -4.701  15.059   1.923
   76   HD21  LEU  10          HD21      LEU  10  -5.155  12.584  -1.213
   77   HD22  LEU  10          HD22      LEU  10  -3.929  12.761   0.042
   78   HD23  LEU  10          HD23      LEU  10  -3.954  13.869  -1.329
   79    H    GLU  11           HN       GLU  11  -3.811  10.697   1.311
   80    HA   GLU  11           HA       GLU  11  -4.897   8.507   0.019
   81    HB2  GLU  11           HB2      GLU  11  -4.523   8.883  -2.320
   82    HB3  GLU  11           HB1      GLU  11  -5.535  10.187  -1.722
   83    HG2  GLU  11           HG2      GLU  11  -3.209  11.391  -1.423
   84    HG3  GLU  11           HG1      GLU  11  -2.727  10.245  -2.672
   85    H    GLN  12           HN       GLN  12  -2.713   9.168   1.813
   86    HA   GLN  12           HA       GLN  12  -0.488   8.069   0.231
   87    HB2  GLN  12           HB2      GLN  12  -0.078   9.779   2.663
   88    HB3  GLN  12           HB1      GLN  12   1.097   9.335   1.445
   89    HG2  GLN  12           HG2      GLN  12  -1.282  11.023   0.771
   90    HG3  GLN  12           HG1      GLN  12   0.181  11.721   1.465
   91   HE21  GLN  12          HE21      GLN  12  -0.674   9.420  -1.115
   92   HE22  GLN  12          HE22      GLN  12   0.402  10.086  -2.286
   93    H    GLY  13           HN       GLY  13  -0.430   8.545   3.718
   94    HA2  GLY  13           HA2      GLY  13  -0.522   7.016   5.459
   95    HA3  GLY  13           HA1      GLY  13  -1.048   5.792   4.310
   96    H    GLU  14           HN       GLU  14   1.731   7.600   3.504
   97    HA   GLU  14           HA       GLU  14   3.945   6.694   4.615
   98    HB2  GLU  14           HB2      GLU  14   2.618   4.383   3.360
   99    HB3  GLU  14           HB1      GLU  14   4.294   4.594   2.880
  100    HG2  GLU  14           HG2      GLU  14   4.810   4.757   5.369
  101    HG3  GLU  14           HG1      GLU  14   3.190   4.111   5.620
  102    H    ASP  15           HN       ASP  15   2.187   7.218   1.727
  103    HA   ASP  15           HA       ASP  15   4.114   7.295  -0.234
  104    HB2  ASP  15           HB2      ASP  15   1.457   8.054   0.011
  105    HB3  ASP  15           HB1      ASP  15   2.283   9.557  -0.381
  106    H    CYS  16           HN       CYS  16   2.933  10.254   1.372
  107    HA   CYS  16           HA       CYS  16   5.458  11.207   2.158
  108    HB2  CYS  16           HB2      CYS  16   5.697  11.209  -0.353
  109    HB3  CYS  16           HB1      CYS  16   4.463  12.462  -0.404
  110    H    ASP  17           HN       ASP  17   4.776  12.245   3.869
  111    HA   ASP  17           HA       ASP  17   4.055  14.122   5.010
  112    HB2  ASP  17           HB2      ASP  17   3.386  14.950   2.507
  113    HB3  ASP  17           HB1      ASP  17   1.792  14.795   3.241
  114    H    CYS  18           HN       CYS  18   3.329  11.520   5.467
  115    HA   CYS  18           HA       CYS  18   0.890  10.542   5.639
  116    HB2  CYS  18           HB2      CYS  18   3.191  10.312   7.251
  117    HB3  CYS  18           HB1      CYS  18   1.830  10.499   8.358
  118    H    GLY  19           HN       GLY  19   1.857  13.388   7.503
  119    HA2  GLY  19           HA2      GLY  19   0.505  14.996   8.484
  120    HA3  GLY  19           HA1      GLY  19  -0.865  14.207   7.730
  121    H    SER  20           HN       SER  20  -1.462  12.033   8.763
  122    HA   SER  20           HA       SER  20  -2.296  12.484  11.348
  123    HB2  SER  20           HB2      SER  20  -2.775  10.092  11.485
  124    HB3  SER  20           HB1      SER  20  -3.272  10.768   9.936
  125    HG   SER  20           HG       SER  20  -0.775   9.488  10.318
  126    HA   PRO  21           HA       PRO  21   1.705  12.359  13.333
  127    HB2  PRO  21           HB2      PRO  21  -0.049  12.709  15.710
  128    HB3  PRO  21           HB1      PRO  21   1.365  13.644  15.207
  129    HG2  PRO  21           HG2      PRO  21  -1.093  14.633  14.912
  130    HG3  PRO  21           HG1      PRO  21   0.153  14.904  13.679
  131    HD2  PRO  21           HD2      PRO  21  -2.142  12.983  13.663
  132    HD3  PRO  21           HD1      PRO  21  -1.485  13.952  12.332
  133    H    ALA  22           HN       ALA  22  -1.107  10.429  14.061
  134    HA   ALA  22           HA       ALA  22  -0.068   8.730  16.014
  135    HB1  ALA  22           HB1      ALA  22  -2.145   8.390  13.887
  136    HB2  ALA  22           HB2      ALA  22  -2.338   8.456  15.639
  137    HB3  ALA  22           HB3      ALA  22  -1.659   7.016  14.880
  138    H    ASN  23           HN       ASN  23   0.739   9.086  12.702
  139    HA   ASN  23           HA       ASN  23   2.412   6.671  12.823
  140    HB2  ASN  23           HB2      ASN  23   1.212   7.871  10.319
  141    HB3  ASN  23           HB1      ASN  23   2.083   6.344  10.461
  142   HD21  ASN  23          HD21      ASN  23  -0.781   8.028  11.677
  143   HD22  ASN  23          HD22      ASN  23  -1.779   6.621  11.776
  144    H    CYS  24           HN       CYS  24   2.831   9.690  13.376
  145    HA   CYS  24           HA       CYS  24   4.653  10.587  11.366
  146    HB2  CYS  24           HB2      CYS  24   3.333  11.795  13.463
  147    HB3  CYS  24           HB1      CYS  24   4.994  11.765  14.033
  148    H    GLN  25           HN       GLN  25   6.376   9.301  11.011
  149    HA   GLN  25           HA       GLN  25   8.223   8.005  11.398
  150    HB2  GLN  25           HB2      GLN  25   9.780   9.258  13.160
  151    HB3  GLN  25           HB1      GLN  25   9.535   9.864  11.531
  152    HG2  GLN  25           HG2      GLN  25   7.756  11.352  12.407
  153    HG3  GLN  25           HG1      GLN  25   8.158  10.804  14.035
  154   HE21  GLN  25          HE21      GLN  25  10.056  11.786  11.198
  155   HE22  GLN  25          HE22      GLN  25  11.010  12.961  12.031
  156    H    ASP  26           HN       ASP  26   6.110   6.959  12.798
  157    HA   ASP  26           HA       ASP  26   7.503   5.751  15.057
  158    HB2  ASP  26           HB2      ASP  26   6.181   7.611  16.016
  159    HB3  ASP  26           HB1      ASP  26   4.722   6.914  15.320
  160    H    ARG  27           HN       ARG  27   4.423   5.794  13.258
  161    HA   ARG  27           HA       ARG  27   3.878   3.046  13.770
  162    HB2  ARG  27           HB2      ARG  27   2.053   4.571  13.336
  163    HB3  ARG  27           HB1      ARG  27   2.707   4.968  11.755
  164    HG2  ARG  27           HG2      ARG  27   1.445   3.370  10.888
  165    HG3  ARG  27           HG1      ARG  27   2.400   2.182  11.777
  166    HD2  ARG  27           HD2      ARG  27   0.726   3.082  13.719
  167    HD3  ARG  27           HD1      ARG  27  -0.303   3.209  12.294
  168    HE   ARG  27           HE       ARG  27   0.907   0.702  12.240
  169   HH11  ARG  27          HH11      ARG  27  -1.366   2.465  14.215
  170   HH12  ARG  27          HH12      ARG  27  -2.206   1.044  14.737
  171   HH21  ARG  27          HH21      ARG  27  -0.197  -1.169  12.925
  172   HH22  ARG  27          HH22      ARG  27  -1.543  -1.019  14.005
  173    H    CYS  28           HN       CYS  28   3.997   4.328  10.476
  174    HA   CYS  28           HA       CYS  28   6.229   2.649   9.754
  175    HB2  CYS  28           HB2      CYS  28   3.759   1.445   9.698
  176    HB3  CYS  28           HB1      CYS  28   3.930   2.017   8.042
  177    H    CYS  29           HN       CYS  29   5.287   5.505   9.624
  178    HA   CYS  29           HA       CYS  29   6.156   5.967   6.892
  179    HB2  CYS  29           HB2      CYS  29   4.296   7.381   6.286
  180    HB3  CYS  29           HB1      CYS  29   3.679   5.796   6.740
  181    H    ASN  30           HN       ASN  30   6.431   8.324   6.460
  182    HA   ASN  30           HA       ASN  30   7.296   9.704   8.916
  183    HB2  ASN  30           HB2      ASN  30   8.457   9.694   6.141
  184    HB3  ASN  30           HB1      ASN  30   8.801  10.971   7.286
  185   HD21  ASN  30          HD21      ASN  30   9.125   9.765   9.621
  186   HD22  ASN  30          HD22      ASN  30  10.419   8.620   9.571
  187    H    ALA  31           HN       ALA  31   5.582  10.868   9.377
  188    HA   ALA  31           HA       ALA  31   4.168  12.399   7.371
  189    HB1  ALA  31           HB1      ALA  31   3.403  13.322   9.894
  190    HB2  ALA  31           HB2      ALA  31   3.691  11.598  10.099
  191    HB3  ALA  31           HB3      ALA  31   2.550  12.163   8.883
  192    H    ALA  32           HN       ALA  32   6.836  12.733   9.455
  193    HA   ALA  32           HA       ALA  32   6.884  15.658   9.145
  194    HB1  ALA  32           HB1      ALA  32   8.534  15.678  10.904
  195    HB2  ALA  32           HB2      ALA  32   8.620  13.915  10.894
  196    HB3  ALA  32           HB3      ALA  32   7.146  14.725  11.432
  197    H    THR  33           HN       THR  33   8.211  12.728   8.037
  198    HA   THR  33           HA       THR  33  10.452  14.104   6.740
  199    HB   THR  33           HB       THR  33  10.584  11.231   6.556
  200    HG1  THR  33           HG1      THR  33  10.986  11.066   8.931
  201   HG21  THR  33          HG21      THR  33  12.314  13.017   8.201
  202   HG22  THR  33          HG22      THR  33  12.451  12.902   6.445
  203   HG23  THR  33          HG23      THR  33  12.721  11.476   7.447
  204    H    CYS  34           HN       CYS  34   7.455  13.546   6.072
  205    HA   CYS  34           HA       CYS  34   6.178  12.910   4.303
  206    HB2  CYS  34           HB2      CYS  34   7.359  15.148   3.784
  207    HB3  CYS  34           HB1      CYS  34   8.277  14.211   2.609
  208    H    LYS  35           HN       LYS  35   7.315  10.582   4.833
  209    HA   LYS  35           HA       LYS  35   7.377   9.319   2.318
  210    HB2  LYS  35           HB2      LYS  35   9.770  10.500   2.773
  211    HB3  LYS  35           HB1      LYS  35  10.052   8.900   3.446
  212    HG2  LYS  35           HG2      LYS  35  10.701   8.560   1.285
  213    HG3  LYS  35           HG1      LYS  35   8.999   8.103   1.182
  214    HD2  LYS  35           HD2      LYS  35   9.482   9.516  -0.680
  215    HD3  LYS  35           HD1      LYS  35   8.503  10.447   0.455
  216    HE2  LYS  35           HE2      LYS  35  11.001  11.037   1.322
  217    HE3  LYS  35           HE1      LYS  35  11.290  10.828  -0.404
  218    HZ1  LYS  35           HZ1      LYS  35   9.609  12.813   0.967
  219    HZ2  LYS  35           HZ2      LYS  35   9.232  12.362  -0.619
  220    HZ3  LYS  35           HZ3      LYS  35  10.742  13.039  -0.269
  221    H    LEU  36           HN       LEU  36   7.516   7.076   2.372
  222    HA   LEU  36           HA       LEU  36   6.506   5.832   4.670
  223    HB2  LEU  36           HB2      LEU  36   7.081   3.703   3.545
  224    HB3  LEU  36           HB1      LEU  36   6.226   4.822   2.500
  225    HG   LEU  36           HG       LEU  36   9.042   5.228   2.179
  226   HD11  LEU  36          HD11      LEU  36   9.289   2.943   2.995
  227   HD12  LEU  36          HD12      LEU  36   9.679   3.057   1.278
  228   HD13  LEU  36          HD13      LEU  36   8.131   2.381   1.787
  229   HD21  LEU  36          HD21      LEU  36   6.885   4.161   0.363
  230   HD22  LEU  36          HD22      LEU  36   8.496   4.650  -0.162
  231   HD23  LEU  36          HD23      LEU  36   7.394   5.842   0.529
  232    H    THR  37           HN       THR  37   7.487   4.527   6.274
  233    HA   THR  37           HA       THR  37  10.098   5.385   7.026
  234    HB   THR  37           HB       THR  37   9.765   3.473   8.777
  235    HG1  THR  37           HG1      THR  37   8.063   2.419   7.821
  236   HG21  THR  37          HG21      THR  37   8.114   4.916  10.028
  237   HG22  THR  37          HG22      THR  37   8.147   5.988   8.627
  238   HG23  THR  37          HG23      THR  37   9.628   5.674   9.535
  239    HA   PRO  38           HA       PRO  38  12.935   2.476   5.413
  240    HB2  PRO  38           HB2      PRO  38  14.196   1.590   7.718
  241    HB3  PRO  38           HB1      PRO  38  14.593   3.075   6.852
  242    HG2  PRO  38           HG2      PRO  38  12.880   2.691   9.269
  243    HG3  PRO  38           HG1      PRO  38  14.056   3.972   8.918
  244    HD2  PRO  38           HD2      PRO  38  11.440   4.412   8.662
  245    HD3  PRO  38           HD1      PRO  38  12.595   5.092   7.496
  246    H    GLY  39           HN       GLY  39  12.957   0.358   4.852
  247    HA2  GLY  39           HA2      GLY  39  12.739  -1.968   5.241
  248    HA3  GLY  39           HA1      GLY  39  11.781  -1.613   6.671
  249    H    SER  40           HN       SER  40  10.133   0.346   5.150
  250    HA   SER  40           HA       SER  40   8.115  -1.477   4.304
  251    HB2  SER  40           HB2      SER  40   7.673   0.762   5.349
  252    HB3  SER  40           HB1      SER  40   8.203   1.511   3.843
  253    HG   SER  40           HG       SER  40   6.385   0.953   2.917
  254    H    GLN  41           HN       GLN  41   7.885  -2.405   2.388
  255    HA   GLN  41           HA       GLN  41   9.606  -1.735   0.200
  256    HB2  GLN  41           HB2      GLN  41   7.541  -3.802   0.753
  257    HB3  GLN  41           HB1      GLN  41   7.891  -3.449  -0.934
  258    HG2  GLN  41           HG2      GLN  41  10.394  -3.702   0.079
  259    HG3  GLN  41           HG1      GLN  41   9.497  -4.845   1.077
  260   HE21  GLN  41          HE21      GLN  41   8.280  -6.506  -0.010
  261   HE22  GLN  41          HE22      GLN  41   8.810  -7.089  -1.547
  262    H    CYS  42           HN       CYS  42   6.302  -1.053   1.079
  263    HA   CYS  42           HA       CYS  42   6.127   0.876  -1.085
  264    HB2  CYS  42           HB2      CYS  42   3.912   0.032  -1.820
  265    HB3  CYS  42           HB1      CYS  42   5.222  -1.094  -2.157
  266    H    ASN  43           HN       ASN  43   4.545   2.466  -0.765
  267    HA   ASN  43           HA       ASN  43   3.932   2.944   2.004
  268    HB2  ASN  43           HB2      ASN  43   2.840   5.043   1.049
  269    HB3  ASN  43           HB1      ASN  43   4.571   4.869   0.774
  270   HD21  ASN  43          HD21      ASN  43   5.119   5.534  -1.159
  271   HD22  ASN  43          HD22      ASN  43   4.211   5.318  -2.613
  272    H    TYR  44           HN       TYR  44   2.235   1.897  -0.850
  273    HA   TYR  44           HA       TYR  44   0.131   0.698   0.526
  274    HB2  TYR  44           HB2      TYR  44  -1.738   2.175   0.133
  275    HB3  TYR  44           HB1      TYR  44  -0.509   3.061   1.027
  276    HD1  TYR  44           HD2      TYR  44  -1.828   2.513  -2.405
  277    HD2  TYR  44           HD1      TYR  44   0.296   5.102   0.216
  278    HE1  TYR  44           HE2      TYR  44  -1.857   4.263  -4.126
  279    HE2  TYR  44           HE1      TYR  44   0.272   6.865  -1.491
  280    HH   TYR  44           HH       TYR  44   0.092   6.920  -4.080
  281    H    GLY  45           HN       GLY  45  -1.778   0.227  -1.044
  282    HA2  GLY  45           HA2      GLY  45  -2.101   0.397  -3.611
  283    HA3  GLY  45           HA1      GLY  45  -0.550  -0.428  -3.632
  284    H    GLU  46           HN       GLU  46  -2.304  -1.760  -4.942
  285    HA   GLU  46           HA       GLU  46  -4.139  -3.382  -3.591
  286    HB2  GLU  46           HB2      GLU  46  -2.678  -3.570  -6.190
  287    HB3  GLU  46           HB1      GLU  46  -3.565  -4.975  -5.616
  288    HG2  GLU  46           HG2      GLU  46  -5.337  -4.093  -6.617
  289    HG3  GLU  46           HG1      GLU  46  -5.372  -2.928  -5.294
  290    H    CYS  47           HN       CYS  47  -0.709  -3.827  -4.249
  291    HA   CYS  47           HA       CYS  47  -0.702  -6.428  -2.930
  292    HB2  CYS  47           HB2      CYS  47   1.182  -4.896  -4.647
  293    HB3  CYS  47           HB1      CYS  47   1.869  -6.065  -3.528
  294    H    CYS  48           HN       CYS  48  -0.389  -3.223  -1.992
  295    HA   CYS  48           HA       CYS  48   1.699  -3.588  -0.056
  296    HB2  CYS  48           HB2      CYS  48   0.644  -1.405  -1.283
  297    HB3  CYS  48           HB1      CYS  48  -0.127  -1.305   0.297
  298    H    ASP  49           HN       ASP  49   1.557  -4.144   2.006
  299    HA   ASP  49           HA       ASP  49  -1.022  -4.107   3.372
  300    HB2  ASP  49           HB2      ASP  49  -0.513  -6.403   2.264
  301    HB3  ASP  49           HB1      ASP  49   0.678  -6.581   3.549
  302    H    GLN  50           HN       GLN  50  -0.531  -2.766   4.997
  303    HA   GLN  50           HA       GLN  50   0.379  -2.025   6.953
  304    HB2  GLN  50           HB2      GLN  50   0.704  -4.696   7.161
  305    HB3  GLN  50           HB1      GLN  50   2.389  -4.194   7.158
  306    HG2  GLN  50           HG2      GLN  50   1.620  -2.512   8.978
  307    HG3  GLN  50           HG1      GLN  50   0.241  -3.598   9.141
  308   HE21  GLN  50          HE21      GLN  50   0.678  -5.828   9.653
  309   HE22  GLN  50          HE22      GLN  50   2.081  -6.235  10.575
  310    H    CYS  51           HN       CYS  51   3.122  -3.673   5.374
  311    HA   CYS  51           HA       CYS  51   4.290  -1.250   4.449
  312    HB2  CYS  51           HB2      CYS  51   4.950  -2.146   7.145
  313    HB3  CYS  51           HB1      CYS  51   6.374  -1.994   6.122
  314    H    ARG  52           HN       ARG  52   3.642  -3.976   3.553
  315    HA   ARG  52           HA       ARG  52   6.144  -4.518   2.203
  316    HB2  ARG  52           HB2      ARG  52   4.812  -6.640   3.898
  317    HB3  ARG  52           HB1      ARG  52   6.143  -6.921   2.785
  318    HG2  ARG  52           HG2      ARG  52   6.262  -5.130   5.204
  319    HG3  ARG  52           HG1      ARG  52   6.863  -6.787   5.130
  320    HD2  ARG  52           HD2      ARG  52   7.803  -4.657   3.230
  321    HD3  ARG  52           HD1      ARG  52   8.559  -4.911   4.802
  322    HE   ARG  52           HE       ARG  52   8.937  -6.473   2.469
  323   HH11  ARG  52          HH11      ARG  52   8.688  -6.731   5.940
  324   HH12  ARG  52          HH12      ARG  52   9.653  -8.166   6.028
  325   HH21  ARG  52          HH21      ARG  52  10.207  -8.360   2.583
  326   HH22  ARG  52          HH22      ARG  52  10.516  -9.091   4.122
  327    H    PHE  53           HN       PHE  53   5.819  -6.373   0.584
  328    HA   PHE  53           HA       PHE  53   3.320  -5.861  -0.793
  329    HB2  PHE  53           HB2      PHE  53   5.855  -7.295  -1.555
  330    HB3  PHE  53           HB1      PHE  53   4.405  -7.409  -2.549
  331    HD1  PHE  53           HD1      PHE  53   3.429  -4.569  -2.130
  332    HD2  PHE  53           HD2      PHE  53   7.267  -6.160  -3.051
  333    HE1  PHE  53           HE1      PHE  53   4.025  -2.469  -3.240
  334    HE2  PHE  53           HE2      PHE  53   7.873  -4.053  -4.168
  335    HZ   PHE  53           HZ       PHE  53   6.251  -2.201  -4.264
  336    H    LYS  54           HN       LYS  54   1.787  -7.377  -1.347
  337    HA   LYS  54           HA       LYS  54   1.365  -9.472   0.520
  338    HB2  LYS  54           HB2      LYS  54   0.023  -8.966  -2.144
  339    HB3  LYS  54           HB1      LYS  54  -0.559 -10.072  -0.907
  340    HG2  LYS  54           HG2      LYS  54  -0.100  -7.302  -0.026
  341    HG3  LYS  54           HG1      LYS  54  -1.410  -7.537  -1.185
  342    HD2  LYS  54           HD2      LYS  54  -2.334  -9.301   0.297
  343    HD3  LYS  54           HD1      LYS  54  -1.077  -8.920   1.476
  344    HE2  LYS  54           HE2      LYS  54  -2.646  -7.540   2.317
  345    HE3  LYS  54           HE1      LYS  54  -2.091  -6.460   1.039
  346    HZ1  LYS  54           HZ1      LYS  54  -3.970  -6.755  -0.151
  347    HZ2  LYS  54           HZ2      LYS  54  -4.629  -7.118   1.363
  348    HZ3  LYS  54           HZ3      LYS  54  -4.170  -8.368   0.320
  349    H    LYS  55           HN       LYS  55   2.740 -11.154   0.555
  350    HA   LYS  55           HA       LYS  55   4.436 -12.194  -1.202
  351    HB2  LYS  55           HB2      LYS  55   4.037 -13.144   1.033
  352    HB3  LYS  55           HB1      LYS  55   2.553 -13.886   0.450
  353    HG2  LYS  55           HG2      LYS  55   3.954 -15.143  -1.212
  354    HG3  LYS  55           HG1      LYS  55   5.373 -14.538  -0.356
  355    HD2  LYS  55           HD2      LYS  55   5.050 -16.586   0.659
  356    HD3  LYS  55           HD1      LYS  55   4.176 -15.505   1.747
  357    HE2  LYS  55           HE2      LYS  55   2.177 -16.084   0.104
  358    HE3  LYS  55           HE1      LYS  55   3.142 -17.535  -0.162
  359    HZ1  LYS  55           HZ1      LYS  55   3.194 -17.539   2.437
  360    HZ2  LYS  55           HZ2      LYS  55   1.872 -18.182   1.600
  361    HZ3  LYS  55           HZ3      LYS  55   1.776 -16.631   2.268
  362    H    ALA  56           HN       ALA  56   4.455 -13.034  -3.182
  363    HA   ALA  56           HA       ALA  56   2.463 -12.994  -4.974
  364    HB1  ALA  56           HB1      ALA  56   4.458 -13.532  -5.951
  365    HB2  ALA  56           HB2      ALA  56   3.639 -15.094  -6.012
  366    HB3  ALA  56           HB3      ALA  56   4.836 -14.771  -4.755
  367    H    GLY  57           HN       GLY  57   0.649 -14.049  -5.423
  368    HA2  GLY  57           HA2      GLY  57  -0.543 -16.203  -5.530
  369    HA3  GLY  57           HA1      GLY  57   0.140 -16.569  -3.950
  370    H    THR  58           HN       THR  58  -0.390 -13.506  -3.479
  371    HA   THR  58           HA       THR  58  -2.920 -13.922  -2.167
  372    HB   THR  58           HB       THR  58  -1.250 -11.408  -2.462
  373    HG1  THR  58           HG1      THR  58  -1.429 -13.280  -0.334
  374   HG21  THR  58          HG21      THR  58  -2.829 -11.513  -0.088
  375   HG22  THR  58          HG22      THR  58  -3.868 -11.697  -1.504
  376   HG23  THR  58          HG23      THR  58  -2.802 -10.295  -1.364
  377    H    VAL  59           HN       VAL  59  -4.822 -13.699  -3.172
  378    HA   VAL  59           HA       VAL  59  -4.975 -12.479  -5.755
  379    HB   VAL  59           HB       VAL  59  -6.353 -14.437  -5.216
  380   HG11  VAL  59          HG11      VAL  59  -6.799 -13.279  -2.817
  381   HG12  VAL  59          HG12      VAL  59  -7.782 -14.583  -3.484
  382   HG13  VAL  59          HG13      VAL  59  -8.312 -12.909  -3.645
  383   HG21  VAL  59          HG21      VAL  59  -7.379 -11.941  -6.305
  384   HG22  VAL  59          HG22      VAL  59  -8.653 -13.011  -5.720
  385   HG23  VAL  59          HG23      VAL  59  -7.504 -13.586  -6.929
  386    H    CYS  60           HN       CYS  60  -5.146 -10.365  -6.097
  387    HA   CYS  60           HA       CYS  60  -6.315  -8.680  -4.002
  388    HB2  CYS  60           HB2      CYS  60  -4.823  -7.753  -6.450
  389    HB3  CYS  60           HB1      CYS  60  -5.199  -6.819  -5.008
  390    H    ARG  61           HN       ARG  61  -6.834  -9.780  -7.248
  391    HA   ARG  61           HA       ARG  61  -9.415  -8.421  -7.296
  392    HB2  ARG  61           HB2      ARG  61  -7.237  -7.399  -8.716
  393    HB3  ARG  61           HB1      ARG  61  -8.180  -8.265  -9.921
  394    HG2  ARG  61           HG2      ARG  61 -10.162  -6.941  -8.749
  395    HG3  ARG  61           HG1      ARG  61  -8.846  -5.833  -8.368
  396    HD2  ARG  61           HD2      ARG  61 -10.059  -6.531 -10.986
  397    HD3  ARG  61           HD1      ARG  61  -9.497  -4.976 -10.383
  398    HE   ARG  61           HE       ARG  61  -8.062  -6.717 -12.044
  399   HH11  ARG  61          HH11      ARG  61  -7.572  -4.716  -9.222
  400   HH12  ARG  61          HH12      ARG  61  -5.880  -4.508  -9.514
  401   HH21  ARG  61          HH21      ARG  61  -5.841  -6.445 -12.423
  402   HH22  ARG  61          HH22      ARG  61  -4.896  -5.485 -11.333
  403    H    ILE  62           HN       ILE  62 -10.451  -9.052  -9.601
  404    HA   ILE  62           HA       ILE  62  -9.867 -11.496 -10.788
  405    HB   ILE  62           HB       ILE  62 -10.372 -12.549  -8.670
  406   HG12  ILE  62          HG12      ILE  62 -12.241 -14.033  -9.379
  407   HG13  ILE  62          HG11      ILE  62 -12.590 -12.915 -10.693
  408   HG21  ILE  62          HG21      ILE  62 -11.965 -10.561  -8.065
  409   HG22  ILE  62          HG22      ILE  62 -12.226 -12.163  -7.375
  410   HG23  ILE  62          HG23      ILE  62 -13.199 -11.622  -8.745
  411   HD11  ILE  62          HD11      ILE  62 -10.240 -13.317 -11.497
  412   HD12  ILE  62          HD12      ILE  62 -11.345 -14.686 -11.617
  413   HD13  ILE  62          HD13      ILE  62 -10.154 -14.625 -10.318
  414    H    ALA  63           HN       ALA  63 -11.057 -11.704 -12.579
  415    HA   ALA  63           HA       ALA  63 -12.761  -9.611 -13.345
  416    HB1  ALA  63           HB1      ALA  63 -12.165 -10.388 -15.324
  417    HB2  ALA  63           HB2      ALA  63 -13.252 -11.754 -15.091
  418    HB3  ALA  63           HB3      ALA  63 -11.561 -11.877 -14.601
  419    H    ARG  64           HN       ARG  64 -14.091 -12.794 -13.957
  420    HA   ARG  64           HA       ARG  64 -16.195 -12.357 -11.982
  421    HB2  ARG  64           HB2      ARG  64 -16.682 -11.446 -14.440
  422    HB3  ARG  64           HB1      ARG  64 -17.103 -13.132 -14.708
  423    HG2  ARG  64           HG2      ARG  64 -19.082 -11.907 -14.141
  424    HG3  ARG  64           HG1      ARG  64 -18.683 -12.999 -12.813
  425    HD2  ARG  64           HD2      ARG  64 -17.773 -11.206 -11.521
  426    HD3  ARG  64           HD1      ARG  64 -17.894 -10.093 -12.883
  427    HE   ARG  64           HE       ARG  64 -20.107  -9.774 -12.386
  428   HH11  ARG  64          HH11      ARG  64 -18.955 -12.588 -10.673
  429   HH12  ARG  64          HH12      ARG  64 -20.396 -12.758  -9.729
  430   HH21  ARG  64          HH21      ARG  64 -22.003  -9.996 -11.144
  431   HH22  ARG  64          HH22      ARG  64 -22.127 -11.287  -9.996
  432    H    GLY  65           HN       GLY  65 -15.289 -14.195 -10.923
  433    HA2  GLY  65           HA2      GLY  65 -16.251 -16.501 -10.693
  434    HA3  GLY  65           HA1      GLY  65 -15.755 -16.730 -12.364
  435    H    ASP  66           HN       ASP  66 -13.763 -17.433 -12.790
  436    HA   ASP  66           HA       ASP  66 -11.470 -16.984 -11.303
  437    HB2  ASP  66           HB2      ASP  66 -11.189 -19.308 -10.299
  438    HB3  ASP  66           HB1      ASP  66 -12.324 -18.239  -9.480
  439    H    TRP  67           HN       TRP  67 -10.594 -16.802 -13.312
  440    HA   TRP  67           HA       TRP  67 -10.240 -19.310 -14.822
  441    HB2  TRP  67           HB2      TRP  67  -9.696 -17.142 -16.543
  442    HB3  TRP  67           HB1      TRP  67 -11.065 -18.244 -16.616
  443    HD1  TRP  67           HD1      TRP  67 -10.195 -14.945 -14.699
  444    HE1  TRP  67           HE1      TRP  67 -12.334 -13.551 -14.570
  445    HE3  TRP  67           HE3      TRP  67 -13.404 -18.168 -17.019
  446    HZ2  TRP  67           HZ2      TRP  67 -15.027 -13.764 -15.359
  447    HZ3  TRP  67           HZ3      TRP  67 -15.756 -17.492 -17.301
  448    HH2  TRP  67           HH2      TRP  67 -16.550 -15.330 -16.485
  449    H    ASN  68           HN       ASN  68  -8.804 -16.099 -14.775
  450    HA   ASN  68           HA       ASN  68  -6.123 -17.292 -14.690
  451    HB2  ASN  68           HB2      ASN  68  -6.613 -14.394 -15.250
  452    HB3  ASN  68           HB1      ASN  68  -5.319 -15.438 -15.831
  453   HD21  ASN  68          HD21      ASN  68  -8.799 -14.858 -16.109
  454   HD22  ASN  68          HD22      ASN  68  -8.933 -15.369 -17.753
  455    H    ASP  69           HN       ASP  69  -8.342 -15.137 -13.107
  456    HA   ASP  69           HA       ASP  69  -8.357 -14.170 -11.055
  457    HB2  ASP  69           HB2      ASP  69  -6.199 -16.212 -10.674
  458    HB3  ASP  69           HB1      ASP  69  -6.643 -15.094  -9.392
  459    H    ASP  70           HN       ASP  70  -7.048 -12.899  -9.501
  460    HA   ASP  70           HA       ASP  70  -4.810 -11.573 -10.860
  461    HB2  ASP  70           HB2      ASP  70  -6.872 -10.154 -10.681
  462    HB3  ASP  70           HB1      ASP  70  -6.754 -10.301  -8.934
  463    H    TYR  71           HN       TYR  71  -2.955 -11.981  -9.860
  464    HA   TYR  71           HA       TYR  71  -3.029 -12.272  -6.936
  465    HB2  TYR  71           HB2      TYR  71  -1.751 -14.058  -8.976
  466    HB3  TYR  71           HB1      TYR  71  -1.219 -14.034  -7.297
  467    HD1  TYR  71           HD1      TYR  71  -2.955 -14.442  -5.518
  468    HD2  TYR  71           HD2      TYR  71  -3.595 -15.359  -9.608
  469    HE1  TYR  71           HE1      TYR  71  -4.728 -15.989  -4.864
  470    HE2  TYR  71           HE2      TYR  71  -5.385 -16.917  -8.995
  471    HH   TYR  71           HH       TYR  71  -5.876 -17.992  -5.817
  472    H    CYS  72           HN       CYS  72  -1.329 -11.606  -5.776
  473    HA   CYS  72           HA       CYS  72   0.311  -9.566  -6.871
  474    HB2  CYS  72           HB2      CYS  72  -0.528  -9.830  -4.456
  475    HB3  CYS  72           HB1      CYS  72   0.806 -10.962  -4.251
  476    H    THR  73           HN       THR  73   2.711  -9.575  -6.711
  477    HA   THR  73           HA       THR  73   3.806 -12.240  -7.326
  478    HB   THR  73           HB       THR  73   5.112 -11.368  -9.067
  479    HG1  THR  73           HG1      THR  73   5.964  -9.546  -8.176
  480   HG21  THR  73          HG21      THR  73   3.574 -10.799 -10.586
  481   HG22  THR  73          HG22      THR  73   2.975  -9.447  -9.624
  482   HG23  THR  73          HG23      THR  73   2.431 -11.088  -9.273
  483    H    GLY  74           HN       GLY  74   3.771 -10.135  -4.943
  484    HA2  GLY  74           HA2      GLY  74   5.199  -9.516  -3.258
  485    HA3  GLY  74           HA1      GLY  74   6.025 -11.021  -3.626
  486    H    LYS  75           HN       LYS  75   5.812  -8.544  -6.052
  487    HA   LYS  75           HA       LYS  75   8.537  -7.652  -5.442
  488    HB2  LYS  75           HB2      LYS  75   7.671  -8.483  -8.211
  489    HB3  LYS  75           HB1      LYS  75   9.276  -7.966  -7.711
  490    HG2  LYS  75           HG2      LYS  75   8.705 -10.108  -6.047
  491    HG3  LYS  75           HG1      LYS  75   8.061 -10.588  -7.618
  492    HD2  LYS  75           HD2      LYS  75  10.200 -10.172  -8.665
  493    HD3  LYS  75           HD1      LYS  75  10.855  -9.550  -7.149
  494    HE2  LYS  75           HE2      LYS  75   9.981 -12.373  -7.744
  495    HE3  LYS  75           HE1      LYS  75  11.624 -11.803  -7.448
  496    HZ1  LYS  75           HZ1      LYS  75  10.660 -11.055  -5.197
  497    HZ2  LYS  75           HZ2      LYS  75  11.010 -12.694  -5.427
  498    HZ3  LYS  75           HZ3      LYS  75   9.413 -12.149  -5.533
  499    H    SER  76           HN       SER  76   5.531  -6.641  -5.714
  500    HA   SER  76           HA       SER  76   6.233  -3.963  -6.286
  501    HB2  SER  76           HB2      SER  76   5.124  -5.600  -8.508
  502    HB3  SER  76           HB1      SER  76   4.487  -3.967  -8.318
  503    HG   SER  76           HG       SER  76   7.051  -4.817  -9.010
  504    H    SER  77           HN       SER  77   4.245  -2.542  -6.433
  505    HA   SER  77           HA       SER  77   2.342  -3.449  -4.433
  506    HB2  SER  77           HB2      SER  77   1.851  -1.208  -4.054
  507    HB3  SER  77           HB1      SER  77   3.533  -1.117  -4.574
  508    HG   SER  77           HG       SER  77   2.931  -0.259  -6.448
  509    H    ASP  78           HN       ASP  78   2.439  -4.074  -7.536
  510    HA   ASP  78           HA       ASP  78  -0.394  -3.459  -8.037
  511    HB2  ASP  78           HB2      ASP  78   1.938  -3.853  -9.899
  512    HB3  ASP  78           HB1      ASP  78   0.279  -4.016 -10.468
  513    H    CYS  79           HN       CYS  79  -1.787  -5.061  -8.670
  514    HA   CYS  79           HA       CYS  79  -0.778  -7.826  -8.437
  515    HB2  CYS  79           HB2      CYS  79  -2.822  -6.471  -6.979
  516    HB3  CYS  79           HB1      CYS  79  -3.590  -7.713  -7.962
  517    HA   PRO  80           HA       PRO  80  -2.264  -7.660 -12.749
  518    HB2  PRO  80           HB2      PRO  80  -1.059  -9.980 -13.506
  519    HB3  PRO  80           HB1      PRO  80  -0.213  -8.430 -13.431
  520    HG2  PRO  80           HG2      PRO  80  -0.252 -10.664 -11.437
  521    HG3  PRO  80           HG1      PRO  80   1.123  -9.701 -12.011
  522    HD2  PRO  80           HD2      PRO  80  -0.076  -9.210  -9.649
  523    HD3  PRO  80           HD1      PRO  80   0.599  -7.908 -10.649
  524    H    TRP  81           HN       TRP  81  -4.204  -8.343 -13.358
  525    HA   TRP  81           HA       TRP  81  -5.388 -10.667 -12.067
  526    HB2  TRP  81           HB2      TRP  81  -7.528  -9.860 -12.934
  527    HB3  TRP  81           HB1      TRP  81  -6.700  -8.647 -11.972
  528    HD1  TRP  81           HD1      TRP  81  -4.825  -8.097 -14.875
  529    HE1  TRP  81           HE1      TRP  81  -5.903  -6.393 -16.470
  530    HE3  TRP  81           HE3      TRP  81  -9.573  -8.230 -13.075
  531    HZ2  TRP  81           HZ2      TRP  81  -8.454  -5.254 -16.895
  532    HZ3  TRP  81           HZ3      TRP  81 -11.295  -6.809 -14.124
  533    HH2  TRP  81           HH2      TRP  81 -10.740  -5.351 -16.004
  534    H    ASN  82           HN       ASN  82  -3.993  -9.854 -14.988
  535    HA   ASN  82           HA       ASN  82  -3.694 -10.942 -16.962
  536    HB2  ASN  82           HB2      ASN  82  -4.800 -13.288 -15.404
  537    HB3  ASN  82           HB1      ASN  82  -3.993 -13.397 -16.965
  538   HD21  ASN  82          HD21      ASN  82  -3.578 -12.590 -13.584
  539   HD22  ASN  82          HD22      ASN  82  -1.865 -12.808 -13.546
  540    H    HIS  83           HN       HIS  83  -6.026  -9.441 -16.707
  541    HA   HIS  83           HA       HIS  83  -7.822 -10.932 -18.491
  542    HB2  HIS  83           HB2      HIS  83  -8.801  -9.050 -16.341
  543    HB3  HIS  83           HB1      HIS  83  -9.775 -10.075 -17.390
  544    HD1  HIS  83           HD1      HIS  83  -9.363 -10.029 -14.100
  545    HD2  HIS  83           HD2      HIS  83  -8.194 -12.908 -16.853
  546    HE1  HIS  83           HE1      HIS  83  -9.129 -12.159 -12.786
  547    HE2  HIS  83           HE2      HIS  83  -8.337 -13.865 -14.460
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1  -7.788  23.085  14.713
    2    H2   SER   1           HT2      SER   1  -8.228  21.549  15.339
    3    H3   SER   1           HT3      SER   1  -9.064  22.199  13.989
    4    HA   SER   1           HA       SER   1  -7.668  20.652  13.089
    5    HB2  SER   1           HB2      SER   1  -5.902  23.059  12.869
    6    HB3  SER   1           HB1      SER   1  -6.484  21.979  11.602
    7    HG   SER   1           HG       SER   1  -8.605  22.919  12.024
    8    HA   PRO   2           HA       PRO   2  -4.791  19.747  16.648
    9    HB2  PRO   2           HB2      PRO   2  -5.137  17.099  15.322
   10    HB3  PRO   2           HB1      PRO   2  -5.136  17.505  17.042
   11    HG2  PRO   2           HG2      PRO   2  -7.416  16.974  15.778
   12    HG3  PRO   2           HG1      PRO   2  -7.331  18.255  17.002
   13    HD2  PRO   2           HD2      PRO   2  -7.437  18.477  14.029
   14    HD3  PRO   2           HD1      PRO   2  -8.152  19.529  15.267
   15    HA   PRO   3           HA       PRO   3  -0.957  19.765  14.461
   16    HB2  PRO   3           HB2      PRO   3  -0.062  17.490  16.141
   17    HB3  PRO   3           HB1      PRO   3   0.662  19.088  15.933
   18    HG2  PRO   3           HG2      PRO   3  -0.637  18.457  18.175
   19    HG3  PRO   3           HG1      PRO   3  -0.760  20.080  17.470
   20    HD2  PRO   3           HD2      PRO   3  -2.722  17.824  17.396
   21    HD3  PRO   3           HD1      PRO   3  -3.012  19.568  17.567
   22    H    VAL   4           HN       VAL   4  -0.448  19.014  12.584
   23    HA   VAL   4           HA       VAL   4  -0.521  16.184  12.035
   24    HB   VAL   4           HB       VAL   4  -1.532  17.787   9.815
   25   HG11  VAL   4          HG11      VAL   4  -2.012  15.168  11.109
   26   HG12  VAL   4          HG12      VAL   4  -1.737  15.560   9.416
   27   HG13  VAL   4          HG13      VAL   4  -3.317  15.847  10.140
   28   HG21  VAL   4          HG21      VAL   4  -3.774  18.115  10.660
   29   HG22  VAL   4          HG22      VAL   4  -2.622  18.980  11.677
   30   HG23  VAL   4          HG23      VAL   4  -3.309  17.451  12.226
   31    H    CYS   5           HN       CYS   5   1.699  16.204  11.963
   32    HA   CYS   5           HA       CYS   5   3.233  18.127  10.560
   33    HB2  CYS   5           HB2      CYS   5   5.002  16.202  10.627
   34    HB3  CYS   5           HB1      CYS   5   4.486  16.941  12.137
   35    H    GLY   6           HN       GLY   6   2.572  18.443   8.510
   36    HA2  GLY   6           HA2      GLY   6   3.062  17.946   6.221
   37    HA3  GLY   6           HA1      GLY   6   3.020  16.234   6.621
   38    H    ASN   7           HN       ASN   7   0.535  18.118   8.027
   39    HA   ASN   7           HA       ASN   7  -1.713  18.218   7.737
   40    HB2  ASN   7           HB2      ASN   7  -0.694  18.275   4.930
   41    HB3  ASN   7           HB1      ASN   7  -2.418  17.990   5.168
   42   HD21  ASN   7          HD21      ASN   7  -3.709  19.657   5.669
   43   HD22  ASN   7          HD22      ASN   7  -3.171  21.280   5.913
   44    H    LYS   8           HN       LYS   8  -3.204  16.711   8.172
   45    HA   LYS   8           HA       LYS   8  -2.800  14.033   8.255
   46    HB2  LYS   8           HB2      LYS   8  -4.746  15.016   9.293
   47    HB3  LYS   8           HB1      LYS   8  -5.402  15.482   7.732
   48    HG2  LYS   8           HG2      LYS   8  -6.578  13.560   8.591
   49    HG3  LYS   8           HG1      LYS   8  -5.664  13.111   7.150
   50    HD2  LYS   8           HD2      LYS   8  -5.208  11.361   8.599
   51    HD3  LYS   8           HD1      LYS   8  -3.820  12.424   8.838
   52    HE2  LYS   8           HE2      LYS   8  -6.246  12.696  10.568
   53    HE3  LYS   8           HE1      LYS   8  -5.056  11.438  10.901
   54    HZ1  LYS   8           HZ1      LYS   8  -4.124  13.072  12.111
   55    HZ2  LYS   8           HZ2      LYS   8  -4.850  14.317  11.225
   56    HZ3  LYS   8           HZ3      LYS   8  -3.468  13.549  10.626
   57    H    ILE   9           HN       ILE   9  -1.922  12.885   6.594
   58    HA   ILE   9           HA       ILE   9  -2.288  13.357   3.897
   59    HB   ILE   9           HB       ILE   9  -1.869  10.888   3.482
   60   HG12  ILE   9          HG12      ILE   9  -0.773   9.817   5.566
   61   HG13  ILE   9          HG11      ILE   9  -1.788  10.930   6.482
   62   HG21  ILE   9          HG21      ILE   9  -0.120  12.496   3.342
   63   HG22  ILE   9          HG22      ILE   9   0.498  11.104   4.233
   64   HG23  ILE   9          HG23      ILE   9   0.017  12.559   5.095
   65   HD11  ILE   9          HD11      ILE   9  -2.459   8.413   5.429
   66   HD12  ILE   9          HD12      ILE   9  -3.384   9.612   4.527
   67   HD13  ILE   9          HD13      ILE   9  -3.502   9.549   6.285
   68    H    LEU  10           HN       LEU  10  -3.886  13.306   2.571
   69    HA   LEU  10           HA       LEU  10  -6.405  12.188   3.425
   70    HB2  LEU  10           HB2      LEU  10  -7.271  13.351   1.369
   71    HB3  LEU  10           HB1      LEU  10  -6.555  14.383   2.592
   72    HG   LEU  10           HG       LEU  10  -6.043  14.763   0.055
   73   HD11  LEU  10          HD11      LEU  10  -4.525  15.192   2.489
   74   HD12  LEU  10          HD12      LEU  10  -4.872  16.294   1.157
   75   HD13  LEU  10          HD13      LEU  10  -3.510  15.180   1.046
   76   HD21  LEU  10          HD21      LEU  10  -4.020  12.646   0.766
   77   HD22  LEU  10          HD22      LEU  10  -3.944  13.692  -0.651
   78   HD23  LEU  10          HD23      LEU  10  -5.267  12.541  -0.475
   79    H    GLU  11           HN       GLU  11  -3.959  10.704   2.192
   80    HA   GLU  11           HA       GLU  11  -5.260   8.476   1.231
   81    HB2  GLU  11           HB2      GLU  11  -5.010   8.596  -1.189
   82    HB3  GLU  11           HB1      GLU  11  -6.044   9.898  -0.623
   83    HG2  GLU  11           HG2      GLU  11  -4.768  11.242  -1.845
   84    HG3  GLU  11           HG1      GLU  11  -3.550  11.042  -0.583
   85    H    GLN  12           HN       GLN  12  -2.895   9.155   2.727
   86    HA   GLN  12           HA       GLN  12  -0.872   7.849   1.034
   87    HB2  GLN  12           HB2      GLN  12  -0.193   9.693   3.304
   88    HB3  GLN  12           HB1      GLN  12   0.861   9.111   2.033
   89    HG2  GLN  12           HG2      GLN  12  -1.411  11.061   1.718
   90    HG3  GLN  12           HG1      GLN  12   0.311  11.442   1.703
   91   HE21  GLN  12          HE21      GLN  12  -0.048  12.397  -0.357
   92   HE22  GLN  12          HE22      GLN  12  -0.149  11.416  -1.775
   93    H    GLY  13           HN       GLY  13  -0.283   8.488   4.427
   94    HA2  GLY  13           HA2      GLY  13  -0.319   7.054   6.268
   95    HA3  GLY  13           HA1      GLY  13  -1.000   5.796   5.243
   96    H    GLU  14           HN       GLU  14   1.622   7.319   3.836
   97    HA   GLU  14           HA       GLU  14   3.952   6.365   4.832
   98    HB2  GLU  14           HB2      GLU  14   4.317   4.191   4.242
   99    HB3  GLU  14           HB1      GLU  14   2.581   4.101   4.439
  100    HG2  GLU  14           HG2      GLU  14   4.047   4.448   1.837
  101    HG3  GLU  14           HG1      GLU  14   3.299   2.964   2.422
  102    H    ASP  15           HN       ASP  15   1.911   6.961   2.128
  103    HA   ASP  15           HA       ASP  15   3.660   7.089   0.004
  104    HB2  ASP  15           HB2      ASP  15   1.048   7.595   0.312
  105    HB3  ASP  15           HB1      ASP  15   1.642   9.252   0.249
  106    H    CYS  16           HN       CYS  16   2.648   9.901   1.977
  107    HA   CYS  16           HA       CYS  16   5.121  10.925   2.563
  108    HB2  CYS  16           HB2      CYS  16   5.929  11.301   0.471
  109    HB3  CYS  16           HB1      CYS  16   4.327  11.392  -0.245
  110    H    ASP  17           HN       ASP  17   4.876  12.559   3.926
  111    HA   ASP  17           HA       ASP  17   4.064  14.386   5.003
  112    HB2  ASP  17           HB2      ASP  17   1.962  14.526   2.831
  113    HB3  ASP  17           HB1      ASP  17   2.324  15.776   4.014
  114    H    CYS  18           HN       CYS  18   3.350  11.759   5.687
  115    HA   CYS  18           HA       CYS  18   0.918  10.868   6.147
  116    HB2  CYS  18           HB2      CYS  18   3.351  10.717   7.595
  117    HB3  CYS  18           HB1      CYS  18   2.065  10.968   8.770
  118    H    GLY  19           HN       GLY  19   2.097  13.839   7.640
  119    HA2  GLY  19           HA2      GLY  19   0.906  15.541   8.656
  120    HA3  GLY  19           HA1      GLY  19  -0.552  14.757   8.082
  121    H    SER  20           HN       SER  20  -1.262  12.815   9.291
  122    HA   SER  20           HA       SER  20  -1.726  13.419  11.929
  123    HB2  SER  20           HB2      SER  20  -2.784  11.374  12.122
  124    HB3  SER  20           HB1      SER  20  -2.832  11.664  10.385
  125    HG   SER  20           HG       SER  20  -2.069   9.636  10.539
  126    HA   PRO  21           HA       PRO  21   2.427  12.995  13.563
  127    HB2  PRO  21           HB2      PRO  21   0.753  13.261  16.021
  128    HB3  PRO  21           HB1      PRO  21   2.258  14.083  15.588
  129    HG2  PRO  21           HG2      PRO  21  -0.073  15.349  15.381
  130    HG3  PRO  21           HG1      PRO  21   1.191  15.570  14.157
  131    HD2  PRO  21           HD2      PRO  21  -1.334  13.991  14.006
  132    HD3  PRO  21           HD1      PRO  21  -0.487  14.875  12.727
  133    H    ALA  22           HN       ALA  22  -0.429  11.163  14.460
  134    HA   ALA  22           HA       ALA  22   0.672   9.276  16.175
  135    HB1  ALA  22           HB1      ALA  22  -1.632   9.315  14.309
  136    HB2  ALA  22           HB2      ALA  22  -1.580   8.980  16.040
  137    HB3  ALA  22           HB3      ALA  22  -1.090   7.739  14.887
  138    H    ASN  23           HN       ASN  23   1.089   9.740  12.781
  139    HA   ASN  23           HA       ASN  23   2.841   7.383  12.673
  140    HB2  ASN  23           HB2      ASN  23   1.078   8.402  10.433
  141    HB3  ASN  23           HB1      ASN  23   2.180   7.031  10.340
  142   HD21  ASN  23          HD21      ASN  23  -0.581   8.236  12.200
  143   HD22  ASN  23          HD22      ASN  23  -1.320   6.692  12.432
  144    H    CYS  24           HN       CYS  24   3.428  10.196  13.268
  145    HA   CYS  24           HA       CYS  24   4.493  11.539  11.057
  146    HB2  CYS  24           HB2      CYS  24   4.136  12.268  13.588
  147    HB3  CYS  24           HB1      CYS  24   5.838  11.841  13.691
  148    H    GLN  25           HN       GLN  25   5.552   8.734  12.601
  149    HA   GLN  25           HA       GLN  25   7.484   7.954  10.896
  150    HB2  GLN  25           HB2      GLN  25   9.612   8.560  12.256
  151    HB3  GLN  25           HB1      GLN  25   8.938   9.754  11.156
  152    HG2  GLN  25           HG2      GLN  25   8.385  11.165  12.812
  153    HG3  GLN  25           HG1      GLN  25   7.919   9.866  13.909
  154   HE21  GLN  25          HE21      GLN  25  10.850  11.099  12.326
  155   HE22  GLN  25          HE22      GLN  25  11.860  10.979  13.723
  156    H    ASP  26           HN       ASP  26   5.622   6.785  12.585
  157    HA   ASP  26           HA       ASP  26   7.319   4.889  13.991
  158    HB2  ASP  26           HB2      ASP  26   5.413   6.737  15.333
  159    HB3  ASP  26           HB1      ASP  26   5.462   5.072  15.906
  160    H    ARG  27           HN       ARG  27   5.619   4.867  11.605
  161    HA   ARG  27           HA       ARG  27   4.193   2.433  12.189
  162    HB2  ARG  27           HB2      ARG  27   2.534   4.190  12.770
  163    HB3  ARG  27           HB1      ARG  27   2.652   4.808  11.128
  164    HG2  ARG  27           HG2      ARG  27   1.197   3.312  10.381
  165    HG3  ARG  27           HG1      ARG  27   2.092   1.981  11.117
  166    HD2  ARG  27           HD2      ARG  27   0.901   2.122  13.112
  167    HD3  ARG  27           HD1      ARG  27   0.357   3.766  12.782
  168    HE   ARG  27           HE       ARG  27  -0.802   2.333  10.808
  169   HH11  ARG  27          HH11      ARG  27  -0.717   1.966  14.277
  170   HH12  ARG  27          HH12      ARG  27  -2.274   1.214  14.361
  171   HH21  ARG  27          HH21      ARG  27  -2.851   1.344  10.916
  172   HH22  ARG  27          HH22      ARG  27  -3.486   0.860  12.453
  173    H    CYS  28           HN       CYS  28   6.425   3.185  10.564
  174    HA   CYS  28           HA       CYS  28   7.279   2.539   8.550
  175    HB2  CYS  28           HB2      CYS  28   4.498   1.834   7.630
  176    HB3  CYS  28           HB1      CYS  28   6.029   1.208   7.035
  177    H    CYS  29           HN       CYS  29   5.323   5.084   9.100
  178    HA   CYS  29           HA       CYS  29   5.610   6.079   6.343
  179    HB2  CYS  29           HB2      CYS  29   3.272   5.751   6.795
  180    HB3  CYS  29           HB1      CYS  29   3.399   6.603   8.329
  181    H    ASN  30           HN       ASN  30   6.148   8.196   6.013
  182    HA   ASN  30           HA       ASN  30   7.362   9.583   8.312
  183    HB2  ASN  30           HB2      ASN  30   8.191   9.348   5.435
  184    HB3  ASN  30           HB1      ASN  30   8.712  10.705   6.412
  185   HD21  ASN  30          HD21      ASN  30   9.139   9.575   8.820
  186   HD22  ASN  30          HD22      ASN  30  10.413   8.414   8.726
  187    H    ALA  31           HN       ALA  31   5.873  10.946   8.948
  188    HA   ALA  31           HA       ALA  31   4.318  12.526   7.092
  189    HB1  ALA  31           HB1      ALA  31   3.670  11.666   9.493
  190    HB2  ALA  31           HB2      ALA  31   3.090  13.222   8.917
  191    HB3  ALA  31           HB3      ALA  31   4.471  13.148  10.001
  192    H    ALA  32           HN       ALA  32   7.222  12.680   8.903
  193    HA   ALA  32           HA       ALA  32   7.549  15.546   8.328
  194    HB1  ALA  32           HB1      ALA  32   7.829  14.795  10.663
  195    HB2  ALA  32           HB2      ALA  32   9.287  15.535   9.997
  196    HB3  ALA  32           HB3      ALA  32   9.178  13.779  10.145
  197    H    THR  33           HN       THR  33   8.147  12.738   6.804
  198    HA   THR  33           HA       THR  33  10.626  13.774   5.622
  199    HB   THR  33           HB       THR  33  10.501  10.890   5.490
  200    HG1  THR  33           HG1      THR  33  10.591  12.034   8.086
  201   HG21  THR  33          HG21      THR  33  12.698  10.965   6.215
  202   HG22  THR  33          HG22      THR  33  12.469  12.509   7.037
  203   HG23  THR  33          HG23      THR  33  12.500  12.443   5.274
  204    H    CYS  34           HN       CYS  34   7.550  13.408   4.962
  205    HA   CYS  34           HA       CYS  34   6.267  12.934   3.137
  206    HB2  CYS  34           HB2      CYS  34   7.251  14.955   2.385
  207    HB3  CYS  34           HB1      CYS  34   8.753  14.150   1.951
  208    H    LYS  35           HN       LYS  35   7.145  10.531   3.929
  209    HA   LYS  35           HA       LYS  35   7.033   9.004   1.575
  210    HB2  LYS  35           HB2      LYS  35   9.566   9.995   1.909
  211    HB3  LYS  35           HB1      LYS  35   9.686   8.412   2.666
  212    HG2  LYS  35           HG2      LYS  35  10.250   7.892   0.518
  213    HG3  LYS  35           HG1      LYS  35   8.508   7.615   0.464
  214    HD2  LYS  35           HD2      LYS  35   9.200   8.873  -1.485
  215    HD3  LYS  35           HD1      LYS  35   8.202   9.888  -0.442
  216    HE2  LYS  35           HE2      LYS  35  10.288  10.959  -1.410
  217    HE3  LYS  35           HE1      LYS  35  10.065  11.102   0.333
  218    HZ1  LYS  35           HZ1      LYS  35  11.632   8.852  -0.715
  219    HZ2  LYS  35           HZ2      LYS  35  11.772   9.664   0.762
  220    HZ3  LYS  35           HZ3      LYS  35  12.349  10.384  -0.655
  221    H    LEU  36           HN       LEU  36   7.918   6.650   2.077
  222    HA   LEU  36           HA       LEU  36   6.805   5.952   4.701
  223    HB2  LEU  36           HB2      LEU  36   6.242   3.827   3.876
  224    HB3  LEU  36           HB1      LEU  36   5.800   4.945   2.606
  225    HG   LEU  36           HG       LEU  36   8.238   3.171   2.644
  226   HD11  LEU  36          HD11      LEU  36   6.372   1.827   2.182
  227   HD12  LEU  36          HD12      LEU  36   7.033   2.238   0.599
  228   HD13  LEU  36          HD13      LEU  36   5.604   3.078   1.203
  229   HD21  LEU  36          HD21      LEU  36   8.923   5.078   1.482
  230   HD22  LEU  36          HD22      LEU  36   7.331   5.326   0.762
  231   HD23  LEU  36          HD23      LEU  36   8.349   3.992   0.216
  232    H    THR  37           HN       THR  37   8.119   5.332   6.249
  233    HA   THR  37           HA       THR  37  10.850   5.472   6.107
  234    HB   THR  37           HB       THR  37  10.827   4.125   8.256
  235    HG1  THR  37           HG1      THR  37   8.724   3.789   9.107
  236   HG21  THR  37          HG21      THR  37   9.427   5.830   9.477
  237   HG22  THR  37          HG22      THR  37   9.106   6.546   7.896
  238   HG23  THR  37          HG23      THR  37  10.761   6.447   8.501
  239    HA   PRO  38           HA       PRO  38  12.849   2.000   4.354
  240    HB2  PRO  38           HB2      PRO  38  14.137   1.751   7.046
  241    HB3  PRO  38           HB1      PRO  38  14.883   1.738   5.441
  242    HG2  PRO  38           HG2      PRO  38  15.016   3.914   6.934
  243    HG3  PRO  38           HG1      PRO  38  14.684   4.049   5.196
  244    HD2  PRO  38           HD2      PRO  38  12.824   4.334   7.509
  245    HD3  PRO  38           HD1      PRO  38  12.836   5.193   5.956
  246    H    GLY  39           HN       GLY  39  12.751  -0.222   4.295
  247    HA2  GLY  39           HA2      GLY  39  12.184  -2.373   4.962
  248    HA3  GLY  39           HA1      GLY  39  11.793  -1.743   6.555
  249    H    SER  40           HN       SER  40  10.138   0.277   4.688
  250    HA   SER  40           HA       SER  40   7.745  -1.427   4.708
  251    HB2  SER  40           HB2      SER  40   6.454   0.434   5.259
  252    HB3  SER  40           HB1      SER  40   7.949   0.758   6.138
  253    HG   SER  40           HG       SER  40   8.582   2.069   4.335
  254    H    GLN  41           HN       GLN  41   7.275  -2.164   2.740
  255    HA   GLN  41           HA       GLN  41   8.169  -0.877   0.351
  256    HB2  GLN  41           HB2      GLN  41   6.250  -3.165   0.816
  257    HB3  GLN  41           HB1      GLN  41   6.736  -2.614  -0.781
  258    HG2  GLN  41           HG2      GLN  41   9.031  -3.188  -0.332
  259    HG3  GLN  41           HG1      GLN  41   8.631  -3.617   1.331
  260   HE21  GLN  41          HE21      GLN  41   9.911  -5.451  -0.112
  261   HE22  GLN  41          HE22      GLN  41   8.856  -6.741  -0.568
  262    H    CYS  42           HN       CYS  42   5.091  -1.165   2.044
  263    HA   CYS  42           HA       CYS  42   4.143   1.313   1.043
  264    HB2  CYS  42           HB2      CYS  42   2.327   0.580  -0.349
  265    HB3  CYS  42           HB1      CYS  42   3.807  -0.140  -0.969
  266    H    ASN  43           HN       ASN  43   1.879   1.736   1.753
  267    HA   ASN  43           HA       ASN  43   1.245   0.172   4.168
  268    HB2  ASN  43           HB2      ASN  43   1.973   2.381   4.812
  269    HB3  ASN  43           HB1      ASN  43   0.871   3.130   3.662
  270   HD21  ASN  43          HD21      ASN  43  -1.325   3.202   4.124
  271   HD22  ASN  43          HD22      ASN  43  -1.940   2.920   5.714
  272    H    TYR  44           HN       TYR  44   0.130   1.489   1.180
  273    HA   TYR  44           HA       TYR  44  -2.436   0.140   1.575
  274    HB2  TYR  44           HB2      TYR  44  -3.768   1.960   0.979
  275    HB3  TYR  44           HB1      TYR  44  -2.552   2.698   2.015
  276    HD1  TYR  44           HD2      TYR  44  -3.518   2.163  -1.523
  277    HD2  TYR  44           HD1      TYR  44  -1.157   4.421   1.201
  278    HE1  TYR  44           HE2      TYR  44  -2.965   3.741  -3.321
  279    HE2  TYR  44           HE1      TYR  44  -0.596   6.008  -0.591
  280    HH   TYR  44           HH       TYR  44  -0.823   5.445  -3.685
  281    H    GLY  45           HN       GLY  45  -3.495  -0.458  -0.407
  282    HA2  GLY  45           HA2      GLY  45  -3.150  -0.083  -2.954
  283    HA3  GLY  45           HA1      GLY  45  -1.576  -0.781  -2.605
  284    H    GLU  46           HN       GLU  46  -3.297  -1.937  -4.444
  285    HA   GLU  46           HA       GLU  46  -4.958  -3.956  -3.413
  286    HB2  GLU  46           HB2      GLU  46  -3.616  -3.421  -6.014
  287    HB3  GLU  46           HB1      GLU  46  -4.201  -5.056  -5.731
  288    HG2  GLU  46           HG2      GLU  46  -5.814  -3.629  -6.930
  289    HG3  GLU  46           HG1      GLU  46  -6.440  -4.267  -5.410
  290    H    CYS  47           HN       CYS  47  -1.521  -3.770  -3.933
  291    HA   CYS  47           HA       CYS  47  -1.214  -6.561  -3.064
  292    HB2  CYS  47           HB2      CYS  47   0.226  -4.835  -4.952
  293    HB3  CYS  47           HB1      CYS  47   1.277  -5.750  -3.880
  294    H    CYS  48           HN       CYS  48  -1.720  -4.215  -1.316
  295    HA   CYS  48           HA       CYS  48   0.832  -4.057   0.117
  296    HB2  CYS  48           HB2      CYS  48  -0.805  -2.050  -0.592
  297    HB3  CYS  48           HB1      CYS  48  -1.471  -2.419   0.996
  298    H    ASP  49           HN       ASP  49   0.719  -4.018   2.506
  299    HA   ASP  49           HA       ASP  49  -1.438  -5.121   3.939
  300    HB2  ASP  49           HB2      ASP  49  -0.565  -7.109   2.520
  301    HB3  ASP  49           HB1      ASP  49   0.796  -7.112   3.638
  302    H    GLN  50           HN       GLN  50  -1.058  -3.799   5.619
  303    HA   GLN  50           HA       GLN  50  -0.127  -2.990   7.527
  304    HB2  GLN  50           HB2      GLN  50   1.179  -5.581   7.160
  305    HB3  GLN  50           HB1      GLN  50   2.163  -4.437   8.063
  306    HG2  GLN  50           HG2      GLN  50   0.468  -4.163   9.711
  307    HG3  GLN  50           HG1      GLN  50  -0.693  -5.075   8.747
  308   HE21  GLN  50          HE21      GLN  50   2.503  -5.416  10.242
  309   HE22  GLN  50          HE22      GLN  50   2.287  -7.057  10.738
  310    H    CYS  51           HN       CYS  51   2.914  -4.121   6.100
  311    HA   CYS  51           HA       CYS  51   3.601  -1.437   5.235
  312    HB2  CYS  51           HB2      CYS  51   5.234  -2.857   7.351
  313    HB3  CYS  51           HB1      CYS  51   5.660  -1.337   6.571
  314    H    ARG  52           HN       ARG  52   3.235  -4.113   4.042
  315    HA   ARG  52           HA       ARG  52   5.658  -4.126   2.461
  316    HB2  ARG  52           HB2      ARG  52   4.860  -6.434   4.216
  317    HB3  ARG  52           HB1      ARG  52   5.781  -6.693   2.741
  318    HG2  ARG  52           HG2      ARG  52   7.289  -4.787   3.836
  319    HG3  ARG  52           HG1      ARG  52   6.604  -5.481   5.307
  320    HD2  ARG  52           HD2      ARG  52   7.725  -7.430   5.068
  321    HD3  ARG  52           HD1      ARG  52   7.601  -7.409   3.309
  322    HE   ARG  52           HE       ARG  52   9.684  -6.501   3.250
  323   HH11  ARG  52          HH11      ARG  52   8.289  -5.797   6.371
  324   HH12  ARG  52          HH12      ARG  52   9.721  -5.035   6.978
  325   HH21  ARG  52          HH21      ARG  52  11.568  -5.500   4.048
  326   HH22  ARG  52          HH22      ARG  52  11.582  -4.866   5.659
  327    H    PHE  53           HN       PHE  53   5.440  -5.895   0.688
  328    HA   PHE  53           HA       PHE  53   2.822  -5.532  -0.484
  329    HB2  PHE  53           HB2      PHE  53   5.411  -6.672  -1.510
  330    HB3  PHE  53           HB1      PHE  53   3.914  -6.836  -2.422
  331    HD1  PHE  53           HD1      PHE  53   2.782  -4.095  -1.637
  332    HD2  PHE  53           HD2      PHE  53   6.583  -5.348  -3.077
  333    HE1  PHE  53           HE1      PHE  53   3.129  -1.880  -2.619
  334    HE2  PHE  53           HE2      PHE  53   6.943  -3.122  -4.063
  335    HZ   PHE  53           HZ       PHE  53   5.214  -1.382  -3.835
  336    H    LYS  54           HN       LYS  54   1.431  -7.173  -1.160
  337    HA   LYS  54           HA       LYS  54   1.236  -9.390   0.585
  338    HB2  LYS  54           HB2      LYS  54  -0.239  -8.367  -1.761
  339    HB3  LYS  54           HB1      LYS  54  -0.363 -10.101  -1.498
  340    HG2  LYS  54           HG2      LYS  54  -1.648  -9.865   0.326
  341    HG3  LYS  54           HG1      LYS  54  -0.757  -8.454   0.900
  342    HD2  LYS  54           HD2      LYS  54  -1.892  -7.098  -0.848
  343    HD3  LYS  54           HD1      LYS  54  -2.858  -8.515  -1.264
  344    HE2  LYS  54           HE2      LYS  54  -2.836  -7.818   1.590
  345    HE3  LYS  54           HE1      LYS  54  -3.590  -6.621   0.539
  346    HZ1  LYS  54           HZ1      LYS  54  -4.431  -9.349   1.153
  347    HZ2  LYS  54           HZ2      LYS  54  -4.726  -8.787  -0.415
  348    HZ3  LYS  54           HZ3      LYS  54  -5.364  -7.957   0.914
  349    H    LYS  55           HN       LYS  55   2.363 -11.228   0.538
  350    HA   LYS  55           HA       LYS  55   4.344 -11.901  -1.207
  351    HB2  LYS  55           HB2      LYS  55   3.911 -13.046   0.942
  352    HB3  LYS  55           HB1      LYS  55   2.534 -13.862   0.215
  353    HG2  LYS  55           HG2      LYS  55   3.979 -15.034  -1.317
  354    HG3  LYS  55           HG1      LYS  55   5.381 -14.141  -0.723
  355    HD2  LYS  55           HD2      LYS  55   3.814 -15.549   1.334
  356    HD3  LYS  55           HD1      LYS  55   4.642 -16.587   0.171
  357    HE2  LYS  55           HE2      LYS  55   6.725 -15.913   0.846
  358    HE3  LYS  55           HE1      LYS  55   6.157 -14.335   1.388
  359    HZ1  LYS  55           HZ1      LYS  55   4.966 -15.633   3.203
  360    HZ2  LYS  55           HZ2      LYS  55   6.646 -15.488   3.334
  361    HZ3  LYS  55           HZ3      LYS  55   5.963 -16.934   2.780
  362    H    ALA  56           HN       ALA  56   4.447 -12.452  -3.279
  363    HA   ALA  56           HA       ALA  56   2.495 -12.473  -5.113
  364    HB1  ALA  56           HB1      ALA  56   3.894 -14.267  -6.351
  365    HB2  ALA  56           HB2      ALA  56   5.010 -14.082  -4.996
  366    HB3  ALA  56           HB3      ALA  56   4.614 -12.694  -6.009
  367    H    GLY  57           HN       GLY  57   0.763 -13.639  -5.618
  368    HA2  GLY  57           HA2      GLY  57  -0.187 -15.896  -5.965
  369    HA3  GLY  57           HA1      GLY  57   0.538 -16.343  -4.425
  370    H    THR  58           HN       THR  58  -0.318 -13.393  -3.710
  371    HA   THR  58           HA       THR  58  -2.763 -14.178  -2.406
  372    HB   THR  58           HB       THR  58  -1.266 -11.548  -2.531
  373    HG1  THR  58           HG1      THR  58  -0.186 -13.153  -1.373
  374   HG21  THR  58          HG21      THR  58  -2.836 -10.510  -1.376
  375   HG22  THR  58          HG22      THR  58  -3.003 -11.862  -0.254
  376   HG23  THR  58          HG23      THR  58  -3.909 -11.858  -1.768
  377    H    VAL  59           HN       VAL  59  -4.530 -14.346  -3.697
  378    HA   VAL  59           HA       VAL  59  -4.933 -12.915  -6.076
  379    HB   VAL  59           HB       VAL  59  -6.143 -14.994  -5.607
  380   HG11  VAL  59          HG11      VAL  59  -7.481 -15.352  -3.836
  381   HG12  VAL  59          HG12      VAL  59  -8.154 -13.723  -3.885
  382   HG13  VAL  59          HG13      VAL  59  -6.585 -14.007  -3.131
  383   HG21  VAL  59          HG21      VAL  59  -8.192 -12.819  -5.883
  384   HG22  VAL  59          HG22      VAL  59  -8.171 -14.415  -6.632
  385   HG23  VAL  59          HG23      VAL  59  -7.032 -13.178  -7.162
  386    H    CYS  60           HN       CYS  60  -5.269 -10.804  -6.308
  387    HA   CYS  60           HA       CYS  60  -6.578  -9.335  -4.126
  388    HB2  CYS  60           HB2      CYS  60  -5.199  -8.059  -6.471
  389    HB3  CYS  60           HB1      CYS  60  -5.535  -7.369  -4.888
  390    H    ARG  61           HN       ARG  61  -6.938 -10.302  -7.426
  391    HA   ARG  61           HA       ARG  61  -9.641  -9.253  -7.464
  392    HB2  ARG  61           HB2      ARG  61  -7.894  -8.551  -9.802
  393    HB3  ARG  61           HB1      ARG  61  -9.446  -7.868  -9.339
  394    HG2  ARG  61           HG2      ARG  61  -8.347  -6.833  -7.375
  395    HG3  ARG  61           HG1      ARG  61  -6.799  -7.424  -7.979
  396    HD2  ARG  61           HD2      ARG  61  -8.643  -5.649  -9.567
  397    HD3  ARG  61           HD1      ARG  61  -7.340  -5.038  -8.549
  398    HE   ARG  61           HE       ARG  61  -6.592  -6.987 -10.568
  399   HH11  ARG  61          HH11      ARG  61  -6.829  -3.613  -9.688
  400   HH12  ARG  61          HH12      ARG  61  -5.677  -3.098 -10.873
  401   HH21  ARG  61          HH21      ARG  61  -5.083  -6.304 -12.127
  402   HH22  ARG  61          HH22      ARG  61  -4.688  -4.623 -12.257
  403    H    ILE  62           HN       ILE  62 -10.495  -9.687  -9.872
  404    HA   ILE  62           HA       ILE  62  -9.514 -11.896 -11.292
  405    HB   ILE  62           HB       ILE  62 -10.116 -13.282  -9.436
  406   HG12  ILE  62          HG12      ILE  62 -11.841 -14.739 -10.426
  407   HG13  ILE  62          HG11      ILE  62 -12.291 -13.450 -11.536
  408   HG21  ILE  62          HG21      ILE  62 -12.019 -13.129  -8.177
  409   HG22  ILE  62          HG22      ILE  62 -12.971 -12.459  -9.504
  410   HG23  ILE  62          HG23      ILE  62 -11.812 -11.441  -8.648
  411   HD11  ILE  62          HD11      ILE  62 -10.949 -14.749 -12.855
  412   HD12  ILE  62          HD12      ILE  62  -9.878 -15.187 -11.525
  413   HD13  ILE  62          HD13      ILE  62  -9.784 -13.577 -12.239
  414    H    ALA  63           HN       ALA  63 -10.464 -11.932 -13.227
  415    HA   ALA  63           HA       ALA  63 -12.177  -9.903 -14.017
  416    HB1  ALA  63           HB1      ALA  63 -11.345 -10.602 -15.942
  417    HB2  ALA  63           HB2      ALA  63 -12.537 -11.899 -15.918
  418    HB3  ALA  63           HB3      ALA  63 -10.922 -12.172 -15.263
  419    H    ARG  64           HN       ARG  64 -13.440 -13.059 -14.880
  420    HA   ARG  64           HA       ARG  64 -15.711 -12.693 -13.078
  421    HB2  ARG  64           HB2      ARG  64 -15.802 -12.528 -16.050
  422    HB3  ARG  64           HB1      ARG  64 -17.125 -13.352 -15.236
  423    HG2  ARG  64           HG2      ARG  64 -17.961 -11.239 -15.301
  424    HG3  ARG  64           HG1      ARG  64 -17.119 -11.176 -13.752
  425    HD2  ARG  64           HD2      ARG  64 -16.200  -9.311 -14.614
  426    HD3  ARG  64           HD1      ARG  64 -15.126 -10.452 -15.421
  427    HE   ARG  64           HE       ARG  64 -17.246 -10.192 -17.120
  428   HH11  ARG  64          HH11      ARG  64 -14.999  -7.971 -15.638
  429   HH12  ARG  64          HH12      ARG  64 -15.063  -6.837 -16.946
  430   HH21  ARG  64          HH21      ARG  64 -17.331  -8.702 -18.841
  431   HH22  ARG  64          HH22      ARG  64 -16.387  -7.252 -18.764
  432    H    GLY  65           HN       GLY  65 -14.904 -14.571 -12.016
  433    HA2  GLY  65           HA2      GLY  65 -15.885 -16.882 -11.964
  434    HA3  GLY  65           HA1      GLY  65 -15.230 -17.049 -13.587
  435    H    ASP  66           HN       ASP  66 -13.200 -17.736 -13.845
  436    HA   ASP  66           HA       ASP  66 -11.066 -17.332 -12.128
  437    HB2  ASP  66           HB2      ASP  66 -12.789 -19.062 -10.901
  438    HB3  ASP  66           HB1      ASP  66 -11.708 -20.180 -11.728
  439    H    TRP  67           HN       TRP  67 -10.014 -17.079 -14.053
  440    HA   TRP  67           HA       TRP  67  -9.480 -19.548 -15.577
  441    HB2  TRP  67           HB2      TRP  67  -8.804 -17.325 -17.185
  442    HB3  TRP  67           HB1      TRP  67 -10.130 -18.456 -17.426
  443    HD1  TRP  67           HD1      TRP  67  -9.521 -15.164 -15.415
  444    HE1  TRP  67           HE1      TRP  67 -11.707 -13.830 -15.458
  445    HE3  TRP  67           HE3      TRP  67 -12.441 -18.463 -17.996
  446    HZ2  TRP  67           HZ2      TRP  67 -14.314 -14.115 -16.454
  447    HZ3  TRP  67           HZ3      TRP  67 -14.782 -17.851 -18.462
  448    HH2  TRP  67           HH2      TRP  67 -15.699 -15.716 -17.706
  449    H    ASN  68           HN       ASN  68  -8.106 -16.319 -15.316
  450    HA   ASN  68           HA       ASN  68  -5.431 -17.483 -14.994
  451    HB2  ASN  68           HB2      ASN  68  -5.896 -14.577 -15.555
  452    HB3  ASN  68           HB1      ASN  68  -4.544 -15.600 -16.031
  453   HD21  ASN  68          HD21      ASN  68  -7.980 -15.015 -16.622
  454   HD22  ASN  68          HD22      ASN  68  -7.964 -15.520 -18.274
  455    H    ASP  69           HN       ASP  69  -7.810 -15.358 -13.594
  456    HA   ASP  69           HA       ASP  69  -8.041 -14.431 -11.538
  457    HB2  ASP  69           HB2      ASP  69  -6.113 -16.653 -11.016
  458    HB3  ASP  69           HB1      ASP  69  -6.452 -15.493  -9.736
  459    H    ASP  70           HN       ASP  70  -7.227 -12.796 -10.245
  460    HA   ASP  70           HA       ASP  70  -4.775 -11.585 -11.248
  461    HB2  ASP  70           HB2      ASP  70  -6.959 -10.285 -10.983
  462    HB3  ASP  70           HB1      ASP  70  -6.695 -10.400  -9.248
  463    H    TYR  71           HN       TYR  71  -2.903 -11.784 -10.180
  464    HA   TYR  71           HA       TYR  71  -3.043 -12.309  -7.292
  465    HB2  TYR  71           HB2      TYR  71  -1.625 -13.875  -9.402
  466    HB3  TYR  71           HB1      TYR  71  -1.007 -13.843  -7.750
  467    HD1  TYR  71           HD1      TYR  71  -2.604 -14.455  -5.898
  468    HD2  TYR  71           HD2      TYR  71  -3.367 -15.318  -9.975
  469    HE1  TYR  71           HE1      TYR  71  -4.219 -16.157  -5.207
  470    HE2  TYR  71           HE2      TYR  71  -5.003 -17.020  -9.322
  471    HH   TYR  71           HH       TYR  71  -6.520 -17.325  -6.978
  472    H    CYS  72           HN       CYS  72  -1.357 -11.707  -6.033
  473    HA   CYS  72           HA       CYS  72   0.063  -9.389  -6.863
  474    HB2  CYS  72           HB2      CYS  72  -0.770 -10.089  -4.495
  475    HB3  CYS  72           HB1      CYS  72   0.757 -10.963  -4.405
  476    H    THR  73           HN       THR  73   2.434  -9.163  -6.643
  477    HA   THR  73           HA       THR  73   3.831 -11.617  -7.479
  478    HB   THR  73           HB       THR  73   5.012 -10.479  -9.141
  479    HG1  THR  73           HG1      THR  73   4.175  -8.046  -7.949
  480   HG21  THR  73          HG21      THR  73   2.301 -10.378  -9.298
  481   HG22  THR  73          HG22      THR  73   3.413  -9.945 -10.597
  482   HG23  THR  73          HG23      THR  73   2.745  -8.690  -9.552
  483    H    GLY  74           HN       GLY  74   3.563  -9.453  -5.041
  484    HA2  GLY  74           HA2      GLY  74   4.894  -8.876  -3.268
  485    HA3  GLY  74           HA1      GLY  74   5.876 -10.266  -3.704
  486    H    LYS  75           HN       LYS  75   5.392  -7.663  -5.964
  487    HA   LYS  75           HA       LYS  75   8.016  -6.540  -5.303
  488    HB2  LYS  75           HB2      LYS  75   7.266  -7.217  -8.142
  489    HB3  LYS  75           HB1      LYS  75   8.831  -6.697  -7.532
  490    HG2  LYS  75           HG2      LYS  75   8.421  -8.960  -6.086
  491    HG3  LYS  75           HG1      LYS  75   7.627  -9.364  -7.609
  492    HD2  LYS  75           HD2      LYS  75  10.433  -8.279  -7.397
  493    HD3  LYS  75           HD1      LYS  75  10.041  -9.996  -7.507
  494    HE2  LYS  75           HE2      LYS  75  10.562  -9.311  -9.704
  495    HE3  LYS  75           HE1      LYS  75   8.805  -9.444  -9.643
  496    HZ1  LYS  75           HZ1      LYS  75   8.541  -7.182  -9.736
  497    HZ2  LYS  75           HZ2      LYS  75   9.919  -7.369 -10.698
  498    HZ3  LYS  75           HZ3      LYS  75  10.071  -6.848  -9.096
  499    H    SER  76           HN       SER  76   4.936  -5.821  -5.488
  500    HA   SER  76           HA       SER  76   5.338  -3.062  -5.905
  501    HB2  SER  76           HB2      SER  76   3.602  -3.151  -7.959
  502    HB3  SER  76           HB1      SER  76   5.351  -3.135  -8.186
  503    HG   SER  76           HG       SER  76   3.571  -5.322  -8.305
  504    H    SER  77           HN       SER  77   3.209  -1.855  -5.988
  505    HA   SER  77           HA       SER  77   1.383  -3.112  -4.100
  506    HB2  SER  77           HB2      SER  77   0.657  -0.968  -3.545
  507    HB3  SER  77           HB1      SER  77   2.342  -0.683  -3.979
  508    HG   SER  77           HG       SER  77   0.470   0.649  -4.941
  509    H    ASP  78           HN       ASP  78   1.590  -3.450  -7.231
  510    HA   ASP  78           HA       ASP  78  -1.292  -3.106  -7.730
  511    HB2  ASP  78           HB2      ASP  78   1.086  -2.988  -9.570
  512    HB3  ASP  78           HB1      ASP  78  -0.524  -3.329 -10.197
  513    H    CYS  79           HN       CYS  79  -2.489  -4.826  -8.361
  514    HA   CYS  79           HA       CYS  79  -1.121  -7.438  -8.434
  515    HB2  CYS  79           HB2      CYS  79  -3.199  -6.545  -6.802
  516    HB3  CYS  79           HB1      CYS  79  -3.994  -7.558  -8.003
  517    HA   PRO  80           HA       PRO  80  -2.549  -7.162 -12.745
  518    HB2  PRO  80           HB2      PRO  80  -1.066  -9.247 -13.645
  519    HB3  PRO  80           HB1      PRO  80  -0.395  -7.631 -13.392
  520    HG2  PRO  80           HG2      PRO  80  -0.263 -10.036 -11.611
  521    HG3  PRO  80           HG1      PRO  80   1.022  -8.891 -12.040
  522    HD2  PRO  80           HD2      PRO  80  -0.312  -8.749  -9.696
  523    HD3  PRO  80           HD1      PRO  80   0.283  -7.303 -10.536
  524    H    TRP  81           HN       TRP  81  -4.173  -8.185 -13.782
  525    HA   TRP  81           HA       TRP  81  -5.648 -10.225 -12.459
  526    HB2  TRP  81           HB2      TRP  81  -6.263  -9.927 -15.300
  527    HB3  TRP  81           HB1      TRP  81  -7.309  -9.745 -13.901
  528    HD1  TRP  81           HD1      TRP  81  -4.974  -7.712 -16.178
  529    HE1  TRP  81           HE1      TRP  81  -5.565  -5.220 -15.900
  530    HE3  TRP  81           HE3      TRP  81  -8.271  -8.114 -12.330
  531    HZ2  TRP  81           HZ2      TRP  81  -7.230  -3.641 -14.255
  532    HZ3  TRP  81           HZ3      TRP  81  -9.340  -6.071 -11.452
  533    HH2  TRP  81           HH2      TRP  81  -8.823  -3.876 -12.397
  534    H    ASN  82           HN       ASN  82  -3.075 -10.293 -14.661
  535    HA   ASN  82           HA       ASN  82  -1.864 -12.036 -15.523
  536    HB2  ASN  82           HB2      ASN  82  -3.959 -13.899 -14.381
  537    HB3  ASN  82           HB1      ASN  82  -2.329 -14.317 -14.898
  538   HD21  ASN  82          HD21      ASN  82  -2.590 -15.225 -12.604
  539   HD22  ASN  82          HD22      ASN  82  -2.002 -14.214 -11.333
  540    H    HIS  83           HN       HIS  83  -4.115 -10.626 -16.770
  541    HA   HIS  83           HA       HIS  83  -5.126 -12.630 -18.656
  542    HB2  HIS  83           HB2      HIS  83  -5.995  -9.761 -18.212
  543    HB3  HIS  83           HB1      HIS  83  -6.766 -10.917 -19.298
  544    HD1  HIS  83           HD1      HIS  83  -8.196  -9.531 -16.844
  545    HD2  HIS  83           HD2      HIS  83  -6.574 -13.353 -16.879
  546    HE1  HIS  83           HE1      HIS  83  -9.361 -10.777 -14.996
  547    HE2  HIS  83           HE2      HIS  83  -8.444 -13.118 -15.110
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1  -5.055  18.123  20.423
    2    H2   SER   1           HT2      SER   1  -6.529  17.245  20.371
    3    H3   SER   1           HT3      SER   1  -6.126  18.327  19.101
    4    HA   SER   1           HA       SER   1  -4.852  15.772  19.794
    5    HB2  SER   1           HB2      SER   1  -5.445  15.634  17.188
    6    HB3  SER   1           HB1      SER   1  -6.624  15.226  18.434
    7    HG   SER   1           HG       SER   1  -7.039  16.909  16.596
    8    HA   PRO   2           HA       PRO   2  -0.993  17.054  18.114
    9    HB2  PRO   2           HB2      PRO   2  -0.405  15.052  16.328
   10    HB3  PRO   2           HB1      PRO   2  -0.202  14.914  18.077
   11    HG2  PRO   2           HG2      PRO   2  -2.434  13.935  16.345
   12    HG3  PRO   2           HG1      PRO   2  -1.648  13.136  17.719
   13    HD2  PRO   2           HD2      PRO   2  -4.042  14.338  17.957
   14    HD3  PRO   2           HD1      PRO   2  -2.853  14.352  19.276
   15    HA   PRO   3           HA       PRO   3  -1.697  19.086  14.243
   16    HB2  PRO   3           HB2      PRO   3   0.778  19.829  13.579
   17    HB3  PRO   3           HB1      PRO   3  -0.025  20.492  15.008
   18    HG2  PRO   3           HG2      PRO   3   2.036  18.332  14.823
   19    HG3  PRO   3           HG1      PRO   3   1.901  19.653  15.998
   20    HD2  PRO   3           HD2      PRO   3   1.070  17.066  16.460
   21    HD3  PRO   3           HD1      PRO   3   0.435  18.489  17.309
   22    H    VAL   4           HN       VAL   4  -2.148  18.435  12.315
   23    HA   VAL   4           HA       VAL   4  -1.245  16.026  11.249
   24    HB   VAL   4           HB       VAL   4  -2.281  17.982   9.320
   25   HG11  VAL   4          HG11      VAL   4  -2.851  15.173  10.163
   26   HG12  VAL   4          HG12      VAL   4  -2.314  15.786   8.602
   27   HG13  VAL   4          HG13      VAL   4  -3.979  16.038   9.120
   28   HG21  VAL   4          HG21      VAL   4  -3.777  17.384  11.844
   29   HG22  VAL   4          HG22      VAL   4  -4.636  17.687  10.333
   30   HG23  VAL   4          HG23      VAL   4  -3.574  18.924  11.007
   31    H    CYS   5           HN       CYS   5   0.942  15.979  11.098
   32    HA   CYS   5           HA       CYS   5   2.533  18.070  10.040
   33    HB2  CYS   5           HB2      CYS   5   3.458  15.226   9.862
   34    HB3  CYS   5           HB1      CYS   5   4.360  16.662  10.324
   35    H    GLY   6           HN       GLY   6   1.880  18.773   8.074
   36    HA2  GLY   6           HA2      GLY   6   2.188  18.764   5.746
   37    HA3  GLY   6           HA1      GLY   6   2.436  17.024   5.807
   38    H    ASN   7           HN       ASN   7  -0.267  18.317   7.514
   39    HA   ASN   7           HA       ASN   7  -2.517  18.135   7.244
   40    HB2  ASN   7           HB2      ASN   7  -1.550  18.666   4.474
   41    HB3  ASN   7           HB1      ASN   7  -3.196  18.057   4.640
   42   HD21  ASN   7          HD21      ASN   7  -4.548  19.685   4.466
   43   HD22  ASN   7          HD22      ASN   7  -4.390  21.229   5.224
   44    H    LYS   8           HN       LYS   8  -3.973  16.456   7.242
   45    HA   LYS   8           HA       LYS   8  -3.070  13.855   7.113
   46    HB2  LYS   8           HB2      LYS   8  -5.198  13.219   7.635
   47    HB3  LYS   8           HB1      LYS   8  -5.348  14.933   7.979
   48    HG2  LYS   8           HG2      LYS   8  -7.252  14.515   6.768
   49    HG3  LYS   8           HG1      LYS   8  -6.156  15.092   5.514
   50    HD2  LYS   8           HD2      LYS   8  -5.591  12.487   5.373
   51    HD3  LYS   8           HD1      LYS   8  -7.236  12.370   6.000
   52    HE2  LYS   8           HE2      LYS   8  -6.298  13.626   3.437
   53    HE3  LYS   8           HE1      LYS   8  -7.444  12.304   3.654
   54    HZ1  LYS   8           HZ1      LYS   8  -7.861  15.168   4.298
   55    HZ2  LYS   8           HZ2      LYS   8  -8.922  13.944   4.782
   56    HZ3  LYS   8           HZ3      LYS   8  -8.674  14.245   3.136
   57    H    ILE   9           HN       ILE   9  -2.326  12.697   5.476
   58    HA   ILE   9           HA       ILE   9  -2.381  13.521   2.827
   59    HB   ILE   9           HB       ILE   9  -1.792  11.294   2.097
   60   HG12  ILE   9          HG12      ILE   9  -3.362  10.395   4.190
   61   HG13  ILE   9          HG11      ILE   9  -2.333   9.404   3.163
   62   HG21  ILE   9          HG21      ILE   9   0.014  12.526   2.872
   63   HG22  ILE   9          HG22      ILE   9   0.178  10.959   3.664
   64   HG23  ILE   9          HG23      ILE   9  -0.465  12.335   4.556
   65   HD11  ILE   9          HD11      ILE   9  -0.510   9.693   4.802
   66   HD12  ILE   9          HD12      ILE   9  -1.924   8.864   5.451
   67   HD13  ILE   9          HD13      ILE   9  -1.636  10.556   5.847
   68    H    LEU  10           HN       LEU  10  -3.654  13.300   1.121
   69    HA   LEU  10           HA       LEU  10  -6.308  12.178   1.612
   70    HB2  LEU  10           HB2      LEU  10  -6.955  13.569  -0.392
   71    HB3  LEU  10           HB1      LEU  10  -6.481  14.457   1.044
   72    HG   LEU  10           HG       LEU  10  -5.641  15.265  -1.253
   73   HD11  LEU  10          HD11      LEU  10  -4.219  16.502  -0.078
   74   HD12  LEU  10          HD12      LEU  10  -3.253  15.101   0.385
   75   HD13  LEU  10          HD13      LEU  10  -4.689  15.529   1.315
   76   HD21  LEU  10          HD21      LEU  10  -3.638  13.067  -0.764
   77   HD22  LEU  10          HD22      LEU  10  -3.556  14.300  -2.022
   78   HD23  LEU  10          HD23      LEU  10  -4.840  13.092  -2.054
   79    H    GLU  11           HN       GLU  11  -3.627  11.003   0.553
   80    HA   GLU  11           HA       GLU  11  -4.698   8.914  -0.944
   81    HB2  GLU  11           HB2      GLU  11  -4.019   9.407  -3.198
   82    HB3  GLU  11           HB1      GLU  11  -5.052  10.710  -2.632
   83    HG2  GLU  11           HG2      GLU  11  -3.486  12.164  -3.182
   84    HG3  GLU  11           HG1      GLU  11  -2.417  11.438  -1.980
   85    H    GLN  12           HN       GLN  12  -2.668   9.374   1.107
   86    HA   GLN  12           HA       GLN  12  -0.389   8.159  -0.301
   87    HB2  GLN  12           HB2      GLN  12  -0.088   9.915   2.123
   88    HB3  GLN  12           HB1      GLN  12   1.175   9.319   1.063
   89    HG2  GLN  12           HG2      GLN  12  -0.960  11.299   0.303
   90    HG3  GLN  12           HG1      GLN  12   0.707  11.693   0.723
   91   HE21  GLN  12          HE21      GLN  12   0.937  12.677  -1.321
   92   HE22  GLN  12          HE22      GLN  12   1.177  11.730  -2.746
   93    H    GLY  13           HN       GLY  13  -0.625   8.679   3.174
   94    HA2  GLY  13           HA2      GLY  13  -0.896   7.182   4.916
   95    HA3  GLY  13           HA1      GLY  13  -1.452   5.989   3.748
   96    H    GLU  14           HN       GLU  14   1.525   7.625   3.223
   97    HA   GLU  14           HA       GLU  14   3.547   6.470   4.472
   98    HB2  GLU  14           HB2      GLU  14   2.196   4.380   2.875
   99    HB3  GLU  14           HB1      GLU  14   3.941   4.458   2.695
  100    HG2  GLU  14           HG2      GLU  14   4.323   3.969   4.934
  101    HG3  GLU  14           HG1      GLU  14   2.672   4.368   5.400
  102    H    ASP  15           HN       ASP  15   2.136   7.349   1.471
  103    HA   ASP  15           HA       ASP  15   4.428   7.408  -0.155
  104    HB2  ASP  15           HB2      ASP  15   1.712   8.087  -0.409
  105    HB3  ASP  15           HB1      ASP  15   2.600   9.567  -0.761
  106    H    CYS  16           HN       CYS  16   2.863  10.003   1.715
  107    HA   CYS  16           HA       CYS  16   5.063  11.144   2.836
  108    HB2  CYS  16           HB2      CYS  16   6.231  11.684   0.936
  109    HB3  CYS  16           HB1      CYS  16   4.779  11.874  -0.037
  110    H    ASP  17           HN       ASP  17   4.695  13.343   3.629
  111    HA   ASP  17           HA       ASP  17   3.416  14.898   4.667
  112    HB2  ASP  17           HB2      ASP  17   1.945  14.526   2.073
  113    HB3  ASP  17           HB1      ASP  17   1.323  15.615   3.310
  114    H    CYS  18           HN       CYS  18   3.033  12.128   5.339
  115    HA   CYS  18           HA       CYS  18   0.638  11.005   5.552
  116    HB2  CYS  18           HB2      CYS  18   2.959  10.891   7.104
  117    HB3  CYS  18           HB1      CYS  18   1.648  11.158   8.252
  118    H    GLY  19           HN       GLY  19   1.558  13.904   7.348
  119    HA2  GLY  19           HA2      GLY  19   0.241  15.478   8.404
  120    HA3  GLY  19           HA1      GLY  19  -1.095  14.839   7.467
  121    H    SER  20           HN       SER  20  -1.952  12.679   8.273
  122    HA   SER  20           HA       SER  20  -3.008  12.996  10.786
  123    HB2  SER  20           HB2      SER  20  -3.863  10.819  10.617
  124    HB3  SER  20           HB1      SER  20  -3.699  11.359   8.947
  125    HG   SER  20           HG       SER  20  -2.836   9.305   9.107
  126    HA   PRO  21           HA       PRO  21   0.781  12.726  13.169
  127    HB2  PRO  21           HB2      PRO  21  -1.396  12.656  15.227
  128    HB3  PRO  21           HB1      PRO  21   0.113  13.579  15.218
  129    HG2  PRO  21           HG2      PRO  21  -2.179  14.768  14.589
  130    HG3  PRO  21           HG1      PRO  21  -0.695  15.139  13.691
  131    HD2  PRO  21           HD2      PRO  21  -3.042  13.496  12.872
  132    HD3  PRO  21           HD1      PRO  21  -1.976  14.498  11.875
  133    H    ALA  22           HN       ALA  22  -1.977  10.566  13.270
  134    HA   ALA  22           HA       ALA  22  -1.132   8.650  15.072
  135    HB1  ALA  22           HB1      ALA  22  -2.274   7.054  13.276
  136    HB2  ALA  22           HB2      ALA  22  -2.822   8.602  12.634
  137    HB3  ALA  22           HB3      ALA  22  -3.212   8.147  14.293
  138    H    ASN  23           HN       ASN  23   0.144   9.464  11.966
  139    HA   ASN  23           HA       ASN  23   1.953   7.148  12.059
  140    HB2  ASN  23           HB2      ASN  23   0.856   8.756   9.767
  141    HB3  ASN  23           HB1      ASN  23   2.322   7.799   9.585
  142   HD21  ASN  23          HD21      ASN  23  -0.915   7.405  10.996
  143   HD22  ASN  23          HD22      ASN  23  -1.207   5.846  10.312
  144    H    CYS  24           HN       CYS  24   1.740  10.613  12.075
  145    HA   CYS  24           HA       CYS  24   4.257  11.379  11.212
  146    HB2  CYS  24           HB2      CYS  24   2.348  12.899  11.879
  147    HB3  CYS  24           HB1      CYS  24   2.815  12.632  13.555
  148    H    GLN  25           HN       GLN  25   5.846   9.933  11.811
  149    HA   GLN  25           HA       GLN  25   7.571   9.150  13.068
  150    HB2  GLN  25           HB2      GLN  25   6.789  11.070  15.250
  151    HB3  GLN  25           HB1      GLN  25   8.387  10.447  14.864
  152    HG2  GLN  25           HG2      GLN  25   7.405  11.810  12.580
  153    HG3  GLN  25           HG1      GLN  25   7.154  12.842  13.987
  154   HE21  GLN  25          HE21      GLN  25   8.710  14.323  13.468
  155   HE22  GLN  25          HE22      GLN  25  10.401  13.971  13.485
  156    H    ASP  26           HN       ASP  26   5.869   7.337  13.132
  157    HA   ASP  26           HA       ASP  26   5.972   6.112  15.653
  158    HB2  ASP  26           HB2      ASP  26   3.590   7.761  15.125
  159    HB3  ASP  26           HB1      ASP  26   3.237   6.120  15.657
  160    H    ARG  27           HN       ARG  27   3.232   6.078  13.395
  161    HA   ARG  27           HA       ARG  27   3.196   3.292  13.124
  162    HB2  ARG  27           HB2      ARG  27   1.499   5.275  12.440
  163    HB3  ARG  27           HB1      ARG  27   2.164   4.895  10.858
  164    HG2  ARG  27           HG2      ARG  27   0.409   3.461  10.868
  165    HG3  ARG  27           HG1      ARG  27   1.616   2.422  11.629
  166    HD2  ARG  27           HD2      ARG  27  -0.180   4.188  13.259
  167    HD3  ARG  27           HD1      ARG  27  -0.708   2.595  12.717
  168    HE   ARG  27           HE       ARG  27   1.152   3.177  14.815
  169   HH11  ARG  27          HH11      ARG  27   0.242   0.809  12.418
  170   HH12  ARG  27          HH12      ARG  27   0.928  -0.520  13.289
  171   HH21  ARG  27          HH21      ARG  27   2.055   1.429  15.962
  172   HH22  ARG  27          HH22      ARG  27   1.957  -0.169  15.301
  173    H    CYS  28           HN       CYS  28   2.985   2.966  10.276
  174    HA   CYS  28           HA       CYS  28   5.823   2.731   9.666
  175    HB2  CYS  28           HB2      CYS  28   3.864   0.935   9.387
  176    HB3  CYS  28           HB1      CYS  28   3.742   1.698   7.806
  177    H    CYS  29           HN       CYS  29   4.598   5.359   9.531
  178    HA   CYS  29           HA       CYS  29   5.274   5.985   6.757
  179    HB2  CYS  29           HB2      CYS  29   2.910   5.843   6.586
  180    HB3  CYS  29           HB1      CYS  29   2.672   6.682   8.109
  181    H    ASN  30           HN       ASN  30   5.784   8.211   6.403
  182    HA   ASN  30           HA       ASN  30   6.712   9.554   8.855
  183    HB2  ASN  30           HB2      ASN  30   7.869   9.389   6.088
  184    HB3  ASN  30           HB1      ASN  30   8.307  10.683   7.185
  185   HD21  ASN  30          HD21      ASN  30   8.500   9.508   9.570
  186   HD22  ASN  30          HD22      ASN  30   9.716   8.280   9.565
  187    H    ALA  31           HN       ALA  31   5.111  10.875   9.321
  188    HA   ALA  31           HA       ALA  31   3.846  12.545   7.320
  189    HB1  ALA  31           HB1      ALA  31   3.008  11.596   9.740
  190    HB2  ALA  31           HB2      ALA  31   2.261  12.935   8.873
  191    HB3  ALA  31           HB3      ALA  31   3.444  13.256  10.136
  192    H    ALA  32           HN       ALA  32   6.493  12.612   9.482
  193    HA   ALA  32           HA       ALA  32   6.848  15.511   9.139
  194    HB1  ALA  32           HB1      ALA  32   8.348  15.434  10.993
  195    HB2  ALA  32           HB2      ALA  32   8.372  13.669  10.971
  196    HB3  ALA  32           HB3      ALA  32   6.902  14.527  11.440
  197    H    THR  33           HN       THR  33   7.797  12.585   7.824
  198    HA   THR  33           HA       THR  33  10.316  13.730   6.843
  199    HB   THR  33           HB       THR  33  10.148  10.864   6.525
  200    HG1  THR  33           HG1      THR  33   9.991  11.861   9.178
  201   HG21  THR  33          HG21      THR  33  12.252  10.838   7.506
  202   HG22  THR  33          HG22      THR  33  11.972  12.364   8.346
  203   HG23  THR  33          HG23      THR  33  12.194  12.347   6.595
  204    H    CYS  34           HN       CYS  34   7.294  13.386   5.887
  205    HA   CYS  34           HA       CYS  34   6.196  13.051   3.926
  206    HB2  CYS  34           HB2      CYS  34   7.133  15.137   3.397
  207    HB3  CYS  34           HB1      CYS  34   8.736  14.460   3.158
  208    H    LYS  35           HN       LYS  35   6.991  10.612   4.576
  209    HA   LYS  35           HA       LYS  35   7.191   9.303   2.092
  210    HB2  LYS  35           HB2      LYS  35   9.652  10.206   2.891
  211    HB3  LYS  35           HB1      LYS  35   9.640   8.559   3.504
  212    HG2  LYS  35           HG2      LYS  35  10.458   8.122   1.449
  213    HG3  LYS  35           HG1      LYS  35   8.742   8.084   1.040
  214    HD2  LYS  35           HD2      LYS  35   9.980   9.422  -0.573
  215    HD3  LYS  35           HD1      LYS  35   8.864  10.433   0.345
  216    HE2  LYS  35           HE2      LYS  35  11.291  10.411   1.774
  217    HE3  LYS  35           HE1      LYS  35  11.709  10.650   0.078
  218    HZ1  LYS  35           HZ1      LYS  35   9.765  12.273   1.630
  219    HZ2  LYS  35           HZ2      LYS  35  10.146  12.498  -0.002
  220    HZ3  LYS  35           HZ3      LYS  35  11.325  12.754   1.183
  221    H    LEU  36           HN       LEU  36   7.976   6.907   2.490
  222    HA   LEU  36           HA       LEU  36   6.286   5.902   4.628
  223    HB2  LEU  36           HB2      LEU  36   6.836   3.673   3.630
  224    HB3  LEU  36           HB1      LEU  36   6.039   4.787   2.535
  225    HG   LEU  36           HG       LEU  36   8.926   4.989   2.331
  226   HD11  LEU  36          HD11      LEU  36   7.660   2.298   1.853
  227   HD12  LEU  36          HD12      LEU  36   8.977   2.680   2.963
  228   HD13  LEU  36          HD13      LEU  36   9.232   2.789   1.221
  229   HD21  LEU  36          HD21      LEU  36   6.813   4.207   0.327
  230   HD22  LEU  36          HD22      LEU  36   8.447   4.766  -0.027
  231   HD23  LEU  36          HD23      LEU  36   7.282   5.863   0.714
  232    H    THR  37           HN       THR  37   7.039   4.518   6.302
  233    HA   THR  37           HA       THR  37   9.570   5.253   7.337
  234    HB   THR  37           HB       THR  37   9.079   3.439   9.041
  235    HG1  THR  37           HG1      THR  37   7.672   2.286   7.520
  236   HG21  THR  37          HG21      THR  37   7.360   5.792   8.515
  237   HG22  THR  37          HG22      THR  37   8.427   5.438   9.876
  238   HG23  THR  37          HG23      THR  37   6.856   4.645   9.757
  239    HA   PRO  38           HA       PRO  38  12.622   2.510   5.796
  240    HB2  PRO  38           HB2      PRO  38  12.991   1.795   8.682
  241    HB3  PRO  38           HB1      PRO  38  14.209   2.210   7.468
  242    HG2  PRO  38           HG2      PRO  38  13.483   4.007   9.259
  243    HG3  PRO  38           HG1      PRO  38  13.702   4.488   7.565
  244    HD2  PRO  38           HD2      PRO  38  11.183   4.055   9.103
  245    HD3  PRO  38           HD1      PRO  38  11.539   5.236   7.826
  246    H    GLY  39           HN       GLY  39  12.753   0.410   5.142
  247    HA2  GLY  39           HA2      GLY  39  12.476  -1.919   5.306
  248    HA3  GLY  39           HA1      GLY  39  11.417  -1.675   6.685
  249    H    SER  40           HN       SER  40   9.644   0.194   5.495
  250    HA   SER  40           HA       SER  40   7.743  -1.476   4.376
  251    HB2  SER  40           HB2      SER  40   6.948   0.560   5.240
  252    HB3  SER  40           HB1      SER  40   8.101   1.511   4.306
  253    HG   SER  40           HG       SER  40   5.614   0.745   3.643
  254    H    GLN  41           HN       GLN  41   7.853  -2.587   2.550
  255    HA   GLN  41           HA       GLN  41   9.569  -1.861   0.386
  256    HB2  GLN  41           HB2      GLN  41   7.992  -4.144   1.167
  257    HB3  GLN  41           HB1      GLN  41   7.706  -3.774  -0.528
  258    HG2  GLN  41           HG2      GLN  41  10.505  -3.879   0.484
  259    HG3  GLN  41           HG1      GLN  41   9.632  -5.383   0.190
  260   HE21  GLN  41          HE21      GLN  41  10.597  -2.343  -1.317
  261   HE22  GLN  41          HE22      GLN  41  10.698  -2.963  -2.926
  262    H    CYS  42           HN       CYS  42   6.272  -1.235   1.200
  263    HA   CYS  42           HA       CYS  42   5.990   0.415  -1.173
  264    HB2  CYS  42           HB2      CYS  42   4.972  -1.363  -2.197
  265    HB3  CYS  42           HB1      CYS  42   4.461  -2.089  -0.681
  266    H    ASN  43           HN       ASN  43   4.711   2.167  -0.863
  267    HA   ASN  43           HA       ASN  43   3.988   2.800   1.840
  268    HB2  ASN  43           HB2      ASN  43   3.150   4.946   0.775
  269    HB3  ASN  43           HB1      ASN  43   4.858   4.595   0.531
  270   HD21  ASN  43          HD21      ASN  43   5.553   4.927  -1.441
  271   HD22  ASN  43          HD22      ASN  43   4.618   4.816  -2.889
  272    H    TYR  44           HN       TYR  44   2.300   2.033  -1.140
  273    HA   TYR  44           HA       TYR  44   0.046   0.969   0.174
  274    HB2  TYR  44           HB2      TYR  44  -1.650   2.597  -0.307
  275    HB3  TYR  44           HB1      TYR  44  -0.366   3.414   0.577
  276    HD1  TYR  44           HD1      TYR  44  -1.532   2.763  -2.905
  277    HD2  TYR  44           HD2      TYR  44   0.495   5.403  -0.256
  278    HE1  TYR  44           HE1      TYR  44  -1.375   4.426  -4.700
  279    HE2  TYR  44           HE2      TYR  44   0.659   7.081  -2.039
  280    HH   TYR  44           HH       TYR  44   0.350   6.485  -5.160
  281    H    GLY  45           HN       GLY  45  -1.739   0.470  -1.451
  282    HA2  GLY  45           HA2      GLY  45  -2.001   0.607  -4.016
  283    HA3  GLY  45           HA1      GLY  45  -0.434  -0.185  -4.004
  284    H    GLU  46           HN       GLU  46  -1.970  -1.615  -5.348
  285    HA   GLU  46           HA       GLU  46  -3.880  -3.250  -4.098
  286    HB2  GLU  46           HB2      GLU  46  -2.230  -3.487  -6.588
  287    HB3  GLU  46           HB1      GLU  46  -3.226  -4.838  -6.063
  288    HG2  GLU  46           HG2      GLU  46  -4.867  -3.893  -7.220
  289    HG3  GLU  46           HG1      GLU  46  -4.955  -2.710  -5.917
  290    H    CYS  47           HN       CYS  47  -0.395  -3.631  -4.502
  291    HA   CYS  47           HA       CYS  47  -0.496  -6.197  -3.087
  292    HB2  CYS  47           HB2      CYS  47   1.445  -4.875  -4.910
  293    HB3  CYS  47           HB1      CYS  47   2.086  -5.988  -3.710
  294    H    CYS  48           HN       CYS  48  -0.814  -3.500  -1.765
  295    HA   CYS  48           HA       CYS  48   1.610  -3.485  -0.118
  296    HB2  CYS  48           HB2      CYS  48   0.111  -1.410  -1.165
  297    HB3  CYS  48           HB1      CYS  48  -0.367  -1.446   0.530
  298    H    ASP  49           HN       ASP  49   1.641  -3.982   1.988
  299    HA   ASP  49           HA       ASP  49  -0.814  -4.313   3.490
  300    HB2  ASP  49           HB2      ASP  49  -0.182  -6.501   2.181
  301    HB3  ASP  49           HB1      ASP  49   1.023  -6.680   3.452
  302    H    GLN  50           HN       GLN  50  -0.255  -2.989   5.109
  303    HA   GLN  50           HA       GLN  50   0.758  -2.219   6.986
  304    HB2  GLN  50           HB2      GLN  50   0.738  -4.533   7.738
  305    HB3  GLN  50           HB1      GLN  50   2.220  -4.864   6.856
  306    HG2  GLN  50           HG2      GLN  50   2.696  -2.659   8.575
  307    HG3  GLN  50           HG1      GLN  50   1.903  -3.925   9.509
  308   HE21  GLN  50          HE21      GLN  50   4.504  -3.121  10.002
  309   HE22  GLN  50          HE22      GLN  50   5.579  -4.413   9.604
  310    H    CYS  51           HN       CYS  51   3.579  -4.013   5.795
  311    HA   CYS  51           HA       CYS  51   4.797  -1.589   4.769
  312    HB2  CYS  51           HB2      CYS  51   6.291  -3.087   6.912
  313    HB3  CYS  51           HB1      CYS  51   6.645  -1.503   6.235
  314    H    ARG  52           HN       ARG  52   4.001  -4.130   3.633
  315    HA   ARG  52           HA       ARG  52   6.445  -4.746   2.256
  316    HB2  ARG  52           HB2      ARG  52   6.144  -6.195   4.505
  317    HB3  ARG  52           HB1      ARG  52   5.218  -7.193   3.393
  318    HG2  ARG  52           HG2      ARG  52   7.211  -8.148   3.007
  319    HG3  ARG  52           HG1      ARG  52   7.434  -6.775   1.921
  320    HD2  ARG  52           HD2      ARG  52   8.304  -5.627   4.140
  321    HD3  ARG  52           HD1      ARG  52   8.619  -7.301   4.598
  322    HE   ARG  52           HE       ARG  52   9.627  -6.605   1.998
  323   HH11  ARG  52          HH11      ARG  52  10.307  -6.613   5.420
  324   HH12  ARG  52          HH12      ARG  52  12.025  -6.597   5.206
  325   HH21  ARG  52          HH21      ARG  52  11.886  -6.584   1.713
  326   HH22  ARG  52          HH22      ARG  52  12.922  -6.579   3.102
  327    H    PHE  53           HN       PHE  53   6.087  -6.349   0.491
  328    HA   PHE  53           HA       PHE  53   3.629  -5.773  -0.837
  329    HB2  PHE  53           HB2      PHE  53   6.006  -7.483  -1.526
  330    HB3  PHE  53           HB1      PHE  53   4.559  -7.490  -2.530
  331    HD1  PHE  53           HD1      PHE  53   3.786  -4.644  -2.402
  332    HD2  PHE  53           HD2      PHE  53   7.603  -6.465  -2.866
  333    HE1  PHE  53           HE1      PHE  53   4.586  -2.649  -3.585
  334    HE2  PHE  53           HE2      PHE  53   8.415  -4.467  -4.053
  335    HZ   PHE  53           HZ       PHE  53   6.906  -2.553  -4.413
  336    H    LYS  54           HN       LYS  54   1.900  -7.102  -1.287
  337    HA   LYS  54           HA       LYS  54   1.245  -9.069   0.617
  338    HB2  LYS  54           HB2      LYS  54   0.063  -8.213  -2.002
  339    HB3  LYS  54           HB1      LYS  54  -0.548  -9.656  -1.203
  340    HG2  LYS  54           HG2      LYS  54  -1.261  -8.426   0.684
  341    HG3  LYS  54           HG1      LYS  54  -0.376  -6.989   0.168
  342    HD2  LYS  54           HD2      LYS  54  -2.047  -6.313  -1.158
  343    HD3  LYS  54           HD1      LYS  54  -2.271  -7.928  -1.835
  344    HE2  LYS  54           HE2      LYS  54  -3.394  -8.482   0.412
  345    HE3  LYS  54           HE1      LYS  54  -3.481  -6.736   0.637
  346    HZ1  LYS  54           HZ1      LYS  54  -4.445  -7.802  -1.903
  347    HZ2  LYS  54           HZ2      LYS  54  -5.030  -6.511  -0.981
  348    HZ3  LYS  54           HZ3      LYS  54  -5.396  -8.101  -0.536
  349    H    LYS  55           HN       LYS  55   2.546 -10.813   0.781
  350    HA   LYS  55           HA       LYS  55   4.155 -12.118  -0.858
  351    HB2  LYS  55           HB2      LYS  55   3.603 -12.860   1.438
  352    HB3  LYS  55           HB1      LYS  55   2.111 -13.567   0.833
  353    HG2  LYS  55           HG2      LYS  55   3.590 -15.361   1.005
  354    HG3  LYS  55           HG1      LYS  55   3.591 -14.953  -0.712
  355    HD2  LYS  55           HD2      LYS  55   5.610 -13.407   0.044
  356    HD3  LYS  55           HD1      LYS  55   5.722 -14.608   1.332
  357    HE2  LYS  55           HE2      LYS  55   7.004 -15.710  -0.156
  358    HE3  LYS  55           HE1      LYS  55   5.450 -16.220  -0.815
  359    HZ1  LYS  55           HZ1      LYS  55   7.340 -15.067  -2.271
  360    HZ2  LYS  55           HZ2      LYS  55   6.490 -13.686  -1.791
  361    HZ3  LYS  55           HZ3      LYS  55   5.691 -14.922  -2.624
  362    H    ALA  56           HN       ALA  56   4.148 -13.098  -2.772
  363    HA   ALA  56           HA       ALA  56   2.192 -13.040  -4.611
  364    HB1  ALA  56           HB1      ALA  56   3.246 -15.279  -5.477
  365    HB2  ALA  56           HB2      ALA  56   4.440 -14.946  -4.219
  366    HB3  ALA  56           HB3      ALA  56   4.163 -13.772  -5.507
  367    H    GLY  57           HN       GLY  57   0.336 -14.022  -5.054
  368    HA2  GLY  57           HA2      GLY  57  -1.008 -16.078  -5.036
  369    HA3  GLY  57           HA1      GLY  57  -0.370 -16.395  -3.427
  370    H    THR  58           HN       THR  58  -0.699 -13.275  -3.170
  371    HA   THR  58           HA       THR  58  -3.262 -13.432  -1.862
  372    HB   THR  58           HB       THR  58  -1.398 -11.081  -2.293
  373    HG1  THR  58           HG1      THR  58  -1.726 -12.908  -0.155
  374   HG21  THR  58          HG21      THR  58  -2.824  -9.755  -1.254
  375   HG22  THR  58          HG22      THR  58  -3.089 -10.937   0.029
  376   HG23  THR  58          HG23      THR  58  -4.040 -11.020  -1.457
  377    H    VAL  59           HN       VAL  59  -5.114 -13.218  -2.964
  378    HA   VAL  59           HA       VAL  59  -5.155 -12.146  -5.605
  379    HB   VAL  59           HB       VAL  59  -6.685 -13.950  -4.998
  380   HG11  VAL  59          HG11      VAL  59  -8.112 -13.926  -3.258
  381   HG12  VAL  59          HG12      VAL  59  -8.515 -12.223  -3.477
  382   HG13  VAL  59          HG13      VAL  59  -7.028 -12.678  -2.644
  383   HG21  VAL  59          HG21      VAL  59  -8.704 -13.085  -6.003
  384   HG22  VAL  59          HG22      VAL  59  -7.298 -12.388  -6.808
  385   HG23  VAL  59          HG23      VAL  59  -8.210 -11.431  -5.640
  386    H    CYS  60           HN       CYS  60  -5.212 -10.071  -6.127
  387    HA   CYS  60           HA       CYS  60  -6.320  -8.153  -4.195
  388    HB2  CYS  60           HB2      CYS  60  -4.680  -7.498  -6.635
  389    HB3  CYS  60           HB1      CYS  60  -5.038  -6.450  -5.270
  390    H    ARG  61           HN       ARG  61  -6.865  -9.574  -7.278
  391    HA   ARG  61           HA       ARG  61  -9.341  -8.091  -7.575
  392    HB2  ARG  61           HB2      ARG  61  -7.328  -6.905  -8.796
  393    HB3  ARG  61           HB1      ARG  61  -7.552  -8.180  -9.983
  394    HG2  ARG  61           HG2      ARG  61  -9.665  -7.418 -10.588
  395    HG3  ARG  61           HG1      ARG  61  -9.853  -6.476  -9.109
  396    HD2  ARG  61           HD2      ARG  61  -9.422  -5.126 -11.173
  397    HD3  ARG  61           HD1      ARG  61  -8.282  -4.848  -9.861
  398    HE   ARG  61           HE       ARG  61  -7.739  -6.305 -12.354
  399   HH11  ARG  61          HH11      ARG  61  -6.571  -4.815  -9.411
  400   HH12  ARG  61          HH12      ARG  61  -4.912  -4.892  -9.894
  401   HH21  ARG  61          HH21      ARG  61  -5.559  -6.420 -12.967
  402   HH22  ARG  61          HH22      ARG  61  -4.337  -5.802 -11.907
  403    H    ILE  62           HN       ILE  62 -10.359  -8.921  -9.811
  404    HA   ILE  62           HA       ILE  62  -9.697 -11.419 -10.819
  405    HB   ILE  62           HB       ILE  62 -10.316 -12.034  -8.427
  406   HG12  ILE  62          HG12      ILE  62 -10.047 -13.689 -10.182
  407   HG13  ILE  62          HG11      ILE  62 -11.370 -14.133  -9.113
  408   HG21  ILE  62          HG21      ILE  62 -12.400 -11.877  -7.622
  409   HG22  ILE  62          HG22      ILE  62 -13.141 -12.209  -9.189
  410   HG23  ILE  62          HG23      ILE  62 -12.542 -10.591  -8.821
  411   HD11  ILE  62          HD11      ILE  62 -12.464 -14.509 -11.017
  412   HD12  ILE  62          HD12      ILE  62 -11.376 -13.494 -11.962
  413   HD13  ILE  62          HD13      ILE  62 -12.688 -12.761 -11.039
  414    H    ALA  63           HN       ALA  63 -10.840 -11.817 -12.562
  415    HA   ALA  63           HA       ALA  63 -12.573  -9.835 -13.553
  416    HB1  ALA  63           HB1      ALA  63 -11.279 -12.191 -14.585
  417    HB2  ALA  63           HB2      ALA  63 -11.769 -10.716 -15.414
  418    HB3  ALA  63           HB3      ALA  63 -12.919 -12.033 -15.216
  419    H    ARG  64           HN       ARG  64 -13.895 -12.976 -14.216
  420    HA   ARG  64           HA       ARG  64 -15.994 -12.592 -12.218
  421    HB2  ARG  64           HB2      ARG  64 -16.734 -11.416 -14.262
  422    HB3  ARG  64           HB1      ARG  64 -16.582 -12.919 -15.161
  423    HG2  ARG  64           HG2      ARG  64 -18.275 -13.015 -12.749
  424    HG3  ARG  64           HG1      ARG  64 -18.881 -12.050 -14.096
  425    HD2  ARG  64           HD2      ARG  64 -19.614 -13.935 -15.020
  426    HD3  ARG  64           HD1      ARG  64 -17.932 -14.409 -15.250
  427    HE   ARG  64           HE       ARG  64 -18.158 -15.917 -13.543
  428   HH11  ARG  64          HH11      ARG  64 -20.839 -13.686 -13.442
  429   HH12  ARG  64          HH12      ARG  64 -21.697 -14.577 -12.230
  430   HH21  ARG  64          HH21      ARG  64 -19.285 -17.091 -11.949
  431   HH22  ARG  64          HH22      ARG  64 -20.815 -16.509 -11.382
  432    H    GLY  65           HN       GLY  65 -15.147 -14.482 -11.235
  433    HA2  GLY  65           HA2      GLY  65 -16.233 -16.775 -11.164
  434    HA3  GLY  65           HA1      GLY  65 -15.577 -16.955 -12.784
  435    H    ASP  66           HN       ASP  66 -13.597 -17.750 -13.019
  436    HA   ASP  66           HA       ASP  66 -11.449 -17.382 -11.286
  437    HB2  ASP  66           HB2      ASP  66 -11.285 -19.638 -10.260
  438    HB3  ASP  66           HB1      ASP  66 -12.675 -18.726  -9.679
  439    H    TRP  67           HN       TRP  67 -10.446 -17.097 -13.252
  440    HA   TRP  67           HA       TRP  67  -9.923 -19.560 -14.786
  441    HB2  TRP  67           HB2      TRP  67  -9.294 -17.356 -16.420
  442    HB3  TRP  67           HB1      TRP  67 -10.648 -18.462 -16.603
  443    HD1  TRP  67           HD1      TRP  67  -9.925 -15.197 -14.578
  444    HE1  TRP  67           HE1      TRP  67 -12.074 -13.814 -14.563
  445    HE3  TRP  67           HE3      TRP  67 -12.953 -18.392 -17.161
  446    HZ2  TRP  67           HZ2      TRP  67 -14.712 -14.027 -15.539
  447    HZ3  TRP  67           HZ3      TRP  67 -15.284 -17.723 -17.589
  448    HH2  TRP  67           HH2      TRP  67 -16.145 -15.581 -16.791
  449    H    ASN  68           HN       ASN  68  -8.549 -16.326 -14.560
  450    HA   ASN  68           HA       ASN  68  -5.877 -17.501 -14.197
  451    HB2  ASN  68           HB2      ASN  68  -6.260 -14.649 -14.991
  452    HB3  ASN  68           HB1      ASN  68  -4.959 -15.760 -15.408
  453   HD21  ASN  68          HD21      ASN  68  -8.375 -15.076 -15.992
  454   HD22  ASN  68          HD22      ASN  68  -8.407 -15.688 -17.607
  455    H    ASP  69           HN       ASP  69  -8.202 -15.164 -13.048
  456    HA   ASP  69           HA       ASP  69  -8.392 -14.004 -11.099
  457    HB2  ASP  69           HB2      ASP  69  -6.537 -16.214 -10.339
  458    HB3  ASP  69           HB1      ASP  69  -6.837 -14.905  -9.204
  459    H    ASP  70           HN       ASP  70  -7.156 -12.683  -9.500
  460    HA   ASP  70           HA       ASP  70  -4.743 -11.609 -10.775
  461    HB2  ASP  70           HB2      ASP  70  -6.745 -10.077 -10.756
  462    HB3  ASP  70           HB1      ASP  70  -6.649 -10.094  -8.999
  463    H    TYR  71           HN       TYR  71  -2.965 -12.056  -9.678
  464    HA   TYR  71           HA       TYR  71  -3.154 -12.137  -6.749
  465    HB2  TYR  71           HB2      TYR  71  -1.952 -14.164  -8.599
  466    HB3  TYR  71           HB1      TYR  71  -1.468 -14.044  -6.909
  467    HD1  TYR  71           HD2      TYR  71  -3.281 -14.176  -5.167
  468    HD2  TYR  71           HD1      TYR  71  -3.864 -15.379  -9.190
  469    HE1  TYR  71           HE2      TYR  71  -5.185 -15.529  -4.456
  470    HE2  TYR  71           HE1      TYR  71  -5.788 -16.741  -8.521
  471    HH   TYR  71           HH       TYR  71  -6.431 -17.912  -6.007
  472    H    CYS  72           HN       CYS  72  -1.467 -11.456  -5.594
  473    HA   CYS  72           HA       CYS  72   0.335  -9.630  -6.781
  474    HB2  CYS  72           HB2      CYS  72  -0.567  -9.679  -4.377
  475    HB3  CYS  72           HB1      CYS  72   0.688 -10.874  -4.064
  476    H    THR  73           HN       THR  73   2.724  -9.775  -6.568
  477    HA   THR  73           HA       THR  73   3.659 -12.537  -6.993
  478    HB   THR  73           HB       THR  73   5.082 -11.835  -8.734
  479    HG1  THR  73           HG1      THR  73   4.472  -9.142  -8.098
  480   HG21  THR  73          HG21      THR  73   3.041  -9.895  -9.515
  481   HG22  THR  73          HG22      THR  73   2.407 -11.469  -9.032
  482   HG23  THR  73          HG23      THR  73   3.597 -11.356 -10.330
  483    H    GLY  74           HN       GLY  74   3.724 -10.244  -4.764
  484    HA2  GLY  74           HA2      GLY  74   5.140  -9.650  -3.064
  485    HA3  GLY  74           HA1      GLY  74   5.891 -11.214  -3.339
  486    H    LYS  75           HN       LYS  75   5.885  -8.908  -5.925
  487    HA   LYS  75           HA       LYS  75   8.632  -8.110  -5.272
  488    HB2  LYS  75           HB2      LYS  75   7.848  -8.961  -8.052
  489    HB3  LYS  75           HB1      LYS  75   9.461  -8.645  -7.428
  490    HG2  LYS  75           HG2      LYS  75   8.548 -10.659  -5.793
  491    HG3  LYS  75           HG1      LYS  75   7.880 -11.081  -7.370
  492    HD2  LYS  75           HD2      LYS  75  10.780 -10.492  -6.778
  493    HD3  LYS  75           HD1      LYS  75  10.082 -12.093  -7.031
  494    HE2  LYS  75           HE2      LYS  75  10.622 -11.819  -9.180
  495    HE3  LYS  75           HE1      LYS  75   9.258 -10.704  -9.256
  496    HZ1  LYS  75           HZ1      LYS  75  10.825  -9.286  -9.973
  497    HZ2  LYS  75           HZ2      LYS  75  12.103 -10.154  -9.285
  498    HZ3  LYS  75           HZ3      LYS  75  11.183  -9.105  -8.329
  499    H    SER  76           HN       SER  76   5.675  -6.975  -5.735
  500    HA   SER  76           HA       SER  76   6.564  -4.374  -6.446
  501    HB2  SER  76           HB2      SER  76   6.522  -5.464  -8.697
  502    HB3  SER  76           HB1      SER  76   4.792  -5.730  -8.487
  503    HG   SER  76           HG       SER  76   4.427  -3.595  -8.625
  504    H    SER  77           HN       SER  77   4.689  -2.839  -6.694
  505    HA   SER  77           HA       SER  77   2.711  -3.474  -4.663
  506    HB2  SER  77           HB2      SER  77   4.035  -1.262  -4.859
  507    HB3  SER  77           HB1      SER  77   2.902  -0.862  -6.149
  508    HG   SER  77           HG       SER  77   2.092  -0.076  -4.221
  509    H    ASP  78           HN       ASP  78   2.782  -4.322  -7.709
  510    HA   ASP  78           HA       ASP  78  -0.008  -3.562  -8.265
  511    HB2  ASP  78           HB2      ASP  78   2.364  -3.939 -10.022
  512    HB3  ASP  78           HB1      ASP  78   0.800  -4.436 -10.661
  513    H    CYS  79           HN       CYS  79  -1.469  -5.119  -8.894
  514    HA   CYS  79           HA       CYS  79  -0.620  -7.921  -8.497
  515    HB2  CYS  79           HB2      CYS  79  -2.641  -6.378  -7.181
  516    HB3  CYS  79           HB1      CYS  79  -3.424  -7.660  -8.097
  517    HA   PRO  80           HA       PRO  80  -2.031  -7.937 -12.829
  518    HB2  PRO  80           HB2      PRO  80  -0.940 -10.338 -13.455
  519    HB3  PRO  80           HB1      PRO  80   0.010  -8.850 -13.382
  520    HG2  PRO  80           HG2      PRO  80  -0.285 -11.008 -11.324
  521    HG3  PRO  80           HG1      PRO  80   1.186 -10.183 -11.875
  522    HD2  PRO  80           HD2      PRO  80  -0.069  -9.504  -9.583
  523    HD3  PRO  80           HD1      PRO  80   0.767  -8.308 -10.593
  524    H    TRP  81           HN       TRP  81  -4.003  -8.542 -13.441
  525    HA   TRP  81           HA       TRP  81  -5.366 -10.702 -12.048
  526    HB2  TRP  81           HB2      TRP  81  -7.406  -9.859 -13.119
  527    HB3  TRP  81           HB1      TRP  81  -6.574  -8.636 -12.177
  528    HD1  TRP  81           HD1      TRP  81  -4.555  -8.523 -15.111
  529    HE1  TRP  81           HE1      TRP  81  -5.415  -6.797 -16.814
  530    HE3  TRP  81           HE3      TRP  81  -9.254  -7.918 -13.301
  531    HZ2  TRP  81           HZ2      TRP  81  -7.804  -5.360 -17.309
  532    HZ3  TRP  81           HZ3      TRP  81 -10.790  -6.353 -14.433
  533    HH2  TRP  81           HH2      TRP  81 -10.072  -5.102 -16.404
  534    H    ASN  82           HN       ASN  82  -3.808 -10.198 -14.963
  535    HA   ASN  82           HA       ASN  82  -3.471 -11.464 -16.821
  536    HB2  ASN  82           HB2      ASN  82  -4.423 -13.463 -14.814
  537    HB3  ASN  82           HB1      ASN  82  -4.270 -13.963 -16.495
  538   HD21  ASN  82          HD21      ASN  82  -2.739 -14.106 -13.701
  539   HD22  ASN  82          HD22      ASN  82  -1.092 -14.055 -14.219
  540    H    HIS  83           HN       HIS  83  -5.634  -9.859 -17.014
  541    HA   HIS  83           HA       HIS  83  -7.462 -11.493 -18.623
  542    HB2  HIS  83           HB2      HIS  83  -8.442  -9.262 -16.841
  543    HB3  HIS  83           HB1      HIS  83  -9.411 -10.410 -17.759
  544    HD1  HIS  83           HD1      HIS  83  -8.989  -9.805 -14.478
  545    HD2  HIS  83           HD2      HIS  83  -8.144 -13.201 -16.709
  546    HE1  HIS  83           HE1      HIS  83  -8.946 -11.699 -12.828
  547    HE2  HIS  83           HE2      HIS  83  -8.593 -13.760 -14.230
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1  -3.703  16.157  20.766
    2    H2   SER   1           HT2      SER   1  -2.514  15.569  21.855
    3    H3   SER   1           HT3      SER   1  -3.892  14.614  21.487
    4    HA   SER   1           HA       SER   1  -1.879  13.882  20.375
    5    HB2  SER   1           HB2      SER   1  -4.440  13.979  19.501
    6    HB3  SER   1           HB1      SER   1  -3.639  14.855  18.196
    7    HG   SER   1           HG       SER   1  -3.475  12.782  17.587
    8    HA   PRO   2           HA       PRO   2   0.670  16.861  18.340
    9    HB2  PRO   2           HB2      PRO   2   1.490  15.151  16.200
   10    HB3  PRO   2           HB1      PRO   2   2.318  15.445  17.727
   11    HG2  PRO   2           HG2      PRO   2   1.173  13.037  16.981
   12    HG3  PRO   2           HG1      PRO   2   1.548  13.515  18.644
   13    HD2  PRO   2           HD2      PRO   2  -1.066  13.572  17.196
   14    HD3  PRO   2           HD1      PRO   2  -0.722  13.180  18.895
   15    HA   PRO   3           HA       PRO   3  -1.212  18.650  14.765
   16    HB2  PRO   3           HB2      PRO   3   0.801  19.905  13.530
   17    HB3  PRO   3           HB1      PRO   3   0.263  20.393  15.142
   18    HG2  PRO   3           HG2      PRO   3   2.618  18.726  14.355
   19    HG3  PRO   3           HG1      PRO   3   2.508  19.999  15.583
   20    HD2  PRO   3           HD2      PRO   3   2.390  17.303  16.129
   21    HD3  PRO   3           HD1      PRO   3   1.692  18.564  17.164
   22    H    VAL   4           HN       VAL   4  -1.941  17.982  12.849
   23    HA   VAL   4           HA       VAL   4  -1.078  15.731  11.587
   24    HB   VAL   4           HB       VAL   4  -3.309  16.888  11.450
   25   HG11  VAL   4          HG11      VAL   4  -3.723  18.637   9.963
   26   HG12  VAL   4          HG12      VAL   4  -2.151  18.472   9.184
   27   HG13  VAL   4          HG13      VAL   4  -2.259  19.114  10.822
   28   HG21  VAL   4          HG21      VAL   4  -3.786  16.129   9.196
   29   HG22  VAL   4          HG22      VAL   4  -2.799  14.973  10.081
   30   HG23  VAL   4          HG23      VAL   4  -2.061  16.015   8.864
   31    H    CYS   5           HN       CYS   5   1.127  15.785  11.242
   32    HA   CYS   5           HA       CYS   5   2.475  17.898   9.913
   33    HB2  CYS   5           HB2      CYS   5   3.559  15.117   9.755
   34    HB3  CYS   5           HB1      CYS   5   4.398  16.622  10.096
   35    H    GLY   6           HN       GLY   6   1.546  18.445   8.000
   36    HA2  GLY   6           HA2      GLY   6   1.679  18.269   5.640
   37    HA3  GLY   6           HA1      GLY   6   1.881  16.530   5.808
   38    H    ASN   7           HN       ASN   7  -0.586  17.774   7.785
   39    HA   ASN   7           HA       ASN   7  -2.849  17.593   7.783
   40    HB2  ASN   7           HB2      ASN   7  -2.199  18.437   5.016
   41    HB3  ASN   7           HB1      ASN   7  -3.791  17.710   5.226
   42   HD21  ASN   7          HD21      ASN   7  -5.365  18.834   6.240
   43   HD22  ASN   7          HD22      ASN   7  -5.182  20.451   6.818
   44    H    LYS   8           HN       LYS   8  -4.428  16.004   7.665
   45    HA   LYS   8           HA       LYS   8  -3.694  13.377   7.437
   46    HB2  LYS   8           HB2      LYS   8  -5.781  14.075   8.494
   47    HB3  LYS   8           HB1      LYS   8  -6.429  14.569   6.936
   48    HG2  LYS   8           HG2      LYS   8  -7.397  12.475   7.485
   49    HG3  LYS   8           HG1      LYS   8  -6.231  12.192   6.191
   50    HD2  LYS   8           HD2      LYS   8  -6.056  10.468   7.904
   51    HD3  LYS   8           HD1      LYS   8  -4.586  11.442   7.846
   52    HE2  LYS   8           HE2      LYS   8  -5.402  10.936  10.151
   53    HE3  LYS   8           HE1      LYS   8  -5.225  12.654   9.799
   54    HZ1  LYS   8           HZ1      LYS   8  -7.356  11.778  10.960
   55    HZ2  LYS   8           HZ2      LYS   8  -7.833  11.361   9.392
   56    HZ3  LYS   8           HZ3      LYS   8  -7.483  12.972   9.767
   57    H    ILE   9           HN       ILE   9  -2.684  12.534   5.704
   58    HA   ILE   9           HA       ILE   9  -2.857  13.373   3.093
   59    HB   ILE   9           HB       ILE   9  -2.150  11.208   2.285
   60   HG12  ILE   9          HG12      ILE   9  -3.620  10.143   4.378
   61   HG13  ILE   9          HG11      ILE   9  -2.562   9.256   3.286
   62   HG21  ILE   9          HG21      ILE   9  -0.841  12.233   4.762
   63   HG22  ILE   9          HG22      ILE   9  -0.407  12.520   3.078
   64   HG23  ILE   9          HG23      ILE   9  -0.137  10.935   3.803
   65   HD11  ILE   9          HD11      ILE   9  -1.851  10.351   5.991
   66   HD12  ILE   9          HD12      ILE   9  -0.716   9.582   4.883
   67   HD13  ILE   9          HD13      ILE   9  -2.064   8.660   5.545
   68    H    LEU  10           HN       LEU  10  -4.227  13.302   1.488
   69    HA   LEU  10           HA       LEU  10  -6.779  11.972   1.938
   70    HB2  LEU  10           HB2      LEU  10  -7.534  13.398   0.006
   71    HB3  LEU  10           HB1      LEU  10  -7.046  14.266   1.450
   72    HG   LEU  10           HG       LEU  10  -6.313  15.133  -0.884
   73   HD11  LEU  10          HD11      LEU  10  -5.374  15.481   1.671
   74   HD12  LEU  10          HD12      LEU  10  -4.952  16.460   0.267
   75   HD13  LEU  10          HD13      LEU  10  -3.913  15.120   0.751
   76   HD21  LEU  10          HD21      LEU  10  -4.163  14.304  -1.653
   77   HD22  LEU  10          HD22      LEU  10  -5.376  13.025  -1.696
   78   HD23  LEU  10          HD23      LEU  10  -4.179  13.060  -0.403
   79    H    GLU  11           HN       GLU  11  -4.073  10.945   0.807
   80    HA   GLU  11           HA       GLU  11  -5.057   8.853  -0.736
   81    HB2  GLU  11           HB2      GLU  11  -4.480   9.440  -2.988
   82    HB3  GLU  11           HB1      GLU  11  -5.535  10.696  -2.361
   83    HG2  GLU  11           HG2      GLU  11  -4.030  12.219  -2.895
   84    HG3  GLU  11           HG1      GLU  11  -2.888  11.472  -1.777
   85    H    GLN  12           HN       GLN  12  -3.113   9.123   1.294
   86    HA   GLN  12           HA       GLN  12  -0.749   8.195  -0.176
   87    HB2  GLN  12           HB2      GLN  12  -0.552   9.866   2.318
   88    HB3  GLN  12           HB1      GLN  12   0.746   9.392   1.243
   89    HG2  GLN  12           HG2      GLN  12  -1.504  11.069   0.227
   90    HG3  GLN  12           HG1      GLN  12  -0.201  11.802   1.161
   91   HE21  GLN  12          HE21      GLN  12  -1.155  10.482  -1.853
   92   HE22  GLN  12          HE22      GLN  12   0.324  10.764  -2.700
   93    H    GLY  13           HN       GLY  13  -0.749   8.530   3.303
   94    HA2  GLY  13           HA2      GLY  13  -1.075   6.936   4.976
   95    HA3  GLY  13           HA1      GLY  13  -1.496   5.760   3.737
   96    H    GLU  14           HN       GLU  14   1.309   7.573   3.147
   97    HA   GLU  14           HA       GLU  14   3.453   6.696   4.396
   98    HB2  GLU  14           HB2      GLU  14   2.247   4.357   3.046
   99    HB3  GLU  14           HB1      GLU  14   3.975   4.562   2.811
  100    HG2  GLU  14           HG2      GLU  14   4.412   4.410   5.123
  101    HG3  GLU  14           HG1      GLU  14   2.704   4.561   5.528
  102    H    ASP  15           HN       ASP  15   1.901   7.346   1.446
  103    HA   ASP  15           HA       ASP  15   4.102   7.352  -0.306
  104    HB2  ASP  15           HB2      ASP  15   1.816   7.444  -1.125
  105    HB3  ASP  15           HB1      ASP  15   1.561   8.992  -0.333
  106    H    CYS  16           HN       CYS  16   2.548  10.092   1.393
  107    HA   CYS  16           HA       CYS  16   4.765  11.300   2.416
  108    HB2  CYS  16           HB2      CYS  16   5.976  11.859   0.606
  109    HB3  CYS  16           HB1      CYS  16   4.637  11.585  -0.484
  110    H    ASP  17           HN       ASP  17   4.162  12.950   3.657
  111    HA   ASP  17           HA       ASP  17   3.037  14.817   4.389
  112    HB2  ASP  17           HB2      ASP  17   2.183  14.831   1.791
  113    HB3  ASP  17           HB1      ASP  17   0.670  14.569   2.652
  114    H    CYS  18           HN       CYS  18   2.761  12.005   5.105
  115    HA   CYS  18           HA       CYS  18   0.493  10.818   5.649
  116    HB2  CYS  18           HB2      CYS  18   2.946  10.979   7.016
  117    HB3  CYS  18           HB1      CYS  18   1.690  11.146   8.242
  118    H    GLY  19           HN       GLY  19   1.419  13.775   7.397
  119    HA2  GLY  19           HA2      GLY  19   0.079  15.316   8.494
  120    HA3  GLY  19           HA1      GLY  19  -1.283  14.591   7.666
  121    H    SER  20           HN       SER  20  -1.867  12.329   8.544
  122    HA   SER  20           HA       SER  20  -2.794  12.621  11.106
  123    HB2  SER  20           HB2      SER  20  -3.415  10.352  11.066
  124    HB3  SER  20           HB1      SER  20  -3.465  10.878   9.386
  125    HG   SER  20           HG       SER  20  -2.057   9.386   8.974
  126    HA   PRO  21           HA       PRO  21   1.148  12.717  13.225
  127    HB2  PRO  21           HB2      PRO  21  -0.838  12.730  15.460
  128    HB3  PRO  21           HB1      PRO  21   0.586  13.749  15.216
  129    HG2  PRO  21           HG2      PRO  21  -1.840  14.712  14.725
  130    HG3  PRO  21           HG1      PRO  21  -0.485  15.096  13.646
  131    HD2  PRO  21           HD2      PRO  21  -2.742  13.181  13.248
  132    HD3  PRO  21           HD1      PRO  21  -1.924  14.206  12.056
  133    H    ALA  22           HN       ALA  22  -1.496  10.475  13.639
  134    HA   ALA  22           HA       ALA  22  -0.437   8.743  15.538
  135    HB1  ALA  22           HB1      ALA  22  -1.880   7.043  14.604
  136    HB2  ALA  22           HB2      ALA  22  -2.050   7.964  13.110
  137    HB3  ALA  22           HB3      ALA  22  -2.725   8.591  14.613
  138    H    ASN  23           HN       ASN  23   0.555   9.369  12.299
  139    HA   ASN  23           HA       ASN  23   2.451   7.122  12.435
  140    HB2  ASN  23           HB2      ASN  23   0.890   8.246  10.140
  141    HB3  ASN  23           HB1      ASN  23   2.447   7.481   9.840
  142   HD21  ASN  23          HD21      ASN  23   2.447   5.377   9.521
  143   HD22  ASN  23          HD22      ASN  23   1.185   4.283   9.965
  144    H    CYS  24           HN       CYS  24   2.168  10.475  12.494
  145    HA   CYS  24           HA       CYS  24   4.354  11.332  10.969
  146    HB2  CYS  24           HB2      CYS  24   2.641  12.848  11.942
  147    HB3  CYS  24           HB1      CYS  24   3.320  12.557  13.539
  148    H    GLN  25           HN       GLN  25   5.931   9.678  11.327
  149    HA   GLN  25           HA       GLN  25   7.867   8.873  12.200
  150    HB2  GLN  25           HB2      GLN  25   7.745  11.445  13.783
  151    HB3  GLN  25           HB1      GLN  25   9.136  10.371  13.743
  152    HG2  GLN  25           HG2      GLN  25   8.016  11.433  11.192
  153    HG3  GLN  25           HG1      GLN  25   9.042  12.456  12.197
  154   HE21  GLN  25          HE21      GLN  25  10.875  12.547  11.062
  155   HE22  GLN  25          HE22      GLN  25  11.811  11.179  10.576
  156    H    ASP  26           HN       ASP  26   6.334   7.231  13.125
  157    HA   ASP  26           HA       ASP  26   7.050   6.598  15.751
  158    HB2  ASP  26           HB2      ASP  26   5.236   8.575  15.891
  159    HB3  ASP  26           HB1      ASP  26   4.145   7.194  15.817
  160    H    ARG  27           HN       ARG  27   4.597   6.248  13.229
  161    HA   ARG  27           HA       ARG  27   4.125   3.489  14.062
  162    HB2  ARG  27           HB2      ARG  27   2.147   4.810  13.613
  163    HB3  ARG  27           HB1      ARG  27   2.732   5.206  12.004
  164    HG2  ARG  27           HG2      ARG  27   1.056   3.521  11.808
  165    HG3  ARG  27           HG1      ARG  27   2.617   2.791  11.431
  166    HD2  ARG  27           HD2      ARG  27   1.936   1.194  12.863
  167    HD3  ARG  27           HD1      ARG  27   2.490   2.334  14.089
  168    HE   ARG  27           HE       ARG  27  -0.149   2.972  13.535
  169   HH11  ARG  27          HH11      ARG  27   1.629   0.259  14.823
  170   HH12  ARG  27          HH12      ARG  27   0.321  -0.285  15.819
  171   HH21  ARG  27          HH21      ARG  27  -1.870   2.258  14.844
  172   HH22  ARG  27          HH22      ARG  27  -1.666   0.849  15.831
  173    H    CYS  28           HN       CYS  28   3.876   4.435  10.694
  174    HA   CYS  28           HA       CYS  28   6.362   3.110  10.000
  175    HB2  CYS  28           HB2      CYS  28   4.407   1.397  10.217
  176    HB3  CYS  28           HB1      CYS  28   3.862   2.084   8.692
  177    H    CYS  29           HN       CYS  29   5.174   5.790   9.737
  178    HA   CYS  29           HA       CYS  29   5.707   6.132   6.901
  179    HB2  CYS  29           HB2      CYS  29   3.387   5.920   6.679
  180    HB3  CYS  29           HB1      CYS  29   3.067   6.738   8.199
  181    H    ASN  30           HN       ASN  30   6.128   8.341   6.312
  182    HA   ASN  30           HA       ASN  30   7.058   9.935   8.604
  183    HB2  ASN  30           HB2      ASN  30   8.007   9.750   5.756
  184    HB3  ASN  30           HB1      ASN  30   8.431  11.097   6.789
  185   HD21  ASN  30          HD21      ASN  30   8.935  10.035   9.166
  186   HD22  ASN  30          HD22      ASN  30  10.227   8.890   9.086
  187    H    ALA  31           HN       ALA  31   5.414  11.166   9.129
  188    HA   ALA  31           HA       ALA  31   3.843  12.579   7.148
  189    HB1  ALA  31           HB1      ALA  31   3.082  11.686   9.496
  190    HB2  ALA  31           HB2      ALA  31   2.430  13.199   8.872
  191    HB3  ALA  31           HB3      ALA  31   3.726  13.222  10.061
  192    H    ALA  32           HN       ALA  32   6.674  13.003   9.000
  193    HA   ALA  32           HA       ALA  32   6.745  15.896   8.461
  194    HB1  ALA  32           HB1      ALA  32   8.518  14.234  10.252
  195    HB2  ALA  32           HB2      ALA  32   7.149  15.210  10.787
  196    HB3  ALA  32           HB3      ALA  32   8.564  15.989  10.078
  197    H    THR  33           HN       THR  33   7.850  12.923   7.321
  198    HA   THR  33           HA       THR  33  10.086  14.185   5.895
  199    HB   THR  33           HB       THR  33  10.203  11.303   5.890
  200    HG1  THR  33           HG1      THR  33  10.072  12.579   8.421
  201   HG21  THR  33          HG21      THR  33  12.040  13.091   7.394
  202   HG22  THR  33          HG22      THR  33  12.053  13.047   5.630
  203   HG23  THR  33          HG23      THR  33  12.384  11.581   6.554
  204    H    CYS  34           HN       CYS  34   7.046  13.549   5.346
  205    HA   CYS  34           HA       CYS  34   5.754  12.761   3.634
  206    HB2  CYS  34           HB2      CYS  34   7.450  14.860   2.837
  207    HB3  CYS  34           HB1      CYS  34   7.368  13.749   1.477
  208    H    LYS  35           HN       LYS  35   6.917  10.543   4.323
  209    HA   LYS  35           HA       LYS  35   7.064   9.075   1.916
  210    HB2  LYS  35           HB2      LYS  35   9.485  10.268   2.619
  211    HB3  LYS  35           HB1      LYS  35   9.645   8.585   3.102
  212    HG2  LYS  35           HG2      LYS  35  10.366   8.399   0.966
  213    HG3  LYS  35           HG1      LYS  35   8.637   8.192   0.680
  214    HD2  LYS  35           HD2      LYS  35   8.449  10.169  -0.389
  215    HD3  LYS  35           HD1      LYS  35   9.583  10.977   0.694
  216    HE2  LYS  35           HE2      LYS  35  11.456   9.991  -0.465
  217    HE3  LYS  35           HE1      LYS  35  10.368   9.053  -1.488
  218    HZ1  LYS  35           HZ1      LYS  35  10.634  12.010  -1.444
  219    HZ2  LYS  35           HZ2      LYS  35   9.495  11.162  -2.363
  220    HZ3  LYS  35           HZ3      LYS  35  11.146  10.971  -2.677
  221    H    LEU  36           HN       LEU  36   7.366   6.811   2.208
  222    HA   LEU  36           HA       LEU  36   6.195   5.814   4.584
  223    HB2  LEU  36           HB2      LEU  36   6.879   3.570   3.677
  224    HB3  LEU  36           HB1      LEU  36   5.897   4.545   2.601
  225    HG   LEU  36           HG       LEU  36   8.807   4.834   2.237
  226   HD11  LEU  36          HD11      LEU  36   9.073   2.577   2.465
  227   HD12  LEU  36          HD12      LEU  36   8.603   2.661   0.767
  228   HD13  LEU  36          HD13      LEU  36   7.413   2.219   1.991
  229   HD21  LEU  36          HD21      LEU  36   8.199   5.404   0.149
  230   HD22  LEU  36          HD22      LEU  36   6.596   5.582   0.862
  231   HD23  LEU  36          HD23      LEU  36   7.026   4.092   0.021
  232    H    THR  37           HN       THR  37   7.216   4.291   6.123
  233    HA   THR  37           HA       THR  37   9.802   5.317   6.920
  234    HB   THR  37           HB       THR  37   9.471   3.808   8.904
  235    HG1  THR  37           HG1      THR  37   8.106   2.273   8.114
  236   HG21  THR  37          HG21      THR  37   7.544   5.959   8.186
  237   HG22  THR  37          HG22      THR  37   8.822   5.942   9.402
  238   HG23  THR  37          HG23      THR  37   7.329   5.045   9.680
  239    HA   PRO  38           HA       PRO  38  12.731   2.336   5.606
  240    HB2  PRO  38           HB2      PRO  38  13.065   1.786   8.536
  241    HB3  PRO  38           HB1      PRO  38  14.305   2.028   7.296
  242    HG2  PRO  38           HG2      PRO  38  13.701   3.998   8.949
  243    HG3  PRO  38           HG1      PRO  38  13.956   4.334   7.226
  244    HD2  PRO  38           HD2      PRO  38  11.418   4.227   8.780
  245    HD3  PRO  38           HD1      PRO  38  11.848   5.236   7.384
  246    H    GLY  39           HN       GLY  39  12.609   0.255   4.962
  247    HA2  GLY  39           HA2      GLY  39  12.235  -2.058   5.228
  248    HA3  GLY  39           HA1      GLY  39  11.278  -1.716   6.660
  249    H    SER  40           HN       SER  40   9.666   0.329   5.326
  250    HA   SER  40           HA       SER  40   7.536  -1.249   4.467
  251    HB2  SER  40           HB2      SER  40   7.159   0.997   5.276
  252    HB3  SER  40           HB1      SER  40   8.112   1.676   3.959
  253    HG   SER  40           HG       SER  40   5.534   0.588   3.923
  254    H    GLN  41           HN       GLN  41   7.402  -2.460   2.707
  255    HA   GLN  41           HA       GLN  41   9.101  -2.089   0.444
  256    HB2  GLN  41           HB2      GLN  41   6.643  -3.837   0.573
  257    HB3  GLN  41           HB1      GLN  41   8.041  -4.026  -0.476
  258    HG2  GLN  41           HG2      GLN  41   7.979  -4.394   2.510
  259    HG3  GLN  41           HG1      GLN  41   8.095  -5.663   1.291
  260   HE21  GLN  41          HE21      GLN  41   9.935  -4.659  -0.430
  261   HE22  GLN  41          HE22      GLN  41  11.461  -4.486   0.361
  262    H    CYS  42           HN       CYS  42   5.944  -0.990   1.310
  263    HA   CYS  42           HA       CYS  42   5.802   0.668  -1.021
  264    HB2  CYS  42           HB2      CYS  42   4.982  -1.385  -2.015
  265    HB3  CYS  42           HB1      CYS  42   3.829  -1.600  -0.703
  266    H    ASN  43           HN       ASN  43   4.534   2.422  -0.695
  267    HA   ASN  43           HA       ASN  43   3.609   2.927   1.947
  268    HB2  ASN  43           HB2      ASN  43   2.748   5.074   0.918
  269    HB3  ASN  43           HB1      ASN  43   4.472   4.782   0.709
  270   HD21  ASN  43          HD21      ASN  43   5.225   5.124  -1.243
  271   HD22  ASN  43          HD22      ASN  43   4.324   5.051  -2.714
  272    H    TYR  44           HN       TYR  44   2.068   2.175  -1.116
  273    HA   TYR  44           HA       TYR  44  -0.171   0.969   0.055
  274    HB2  TYR  44           HB2      TYR  44  -1.924   2.541  -0.276
  275    HB3  TYR  44           HB1      TYR  44  -0.658   3.396   0.598
  276    HD1  TYR  44           HD1      TYR  44  -1.911   2.809  -2.868
  277    HD2  TYR  44           HD2      TYR  44   0.080   5.450  -0.190
  278    HE1  TYR  44           HE1      TYR  44  -1.905   4.548  -4.599
  279    HE2  TYR  44           HE2      TYR  44   0.091   7.200  -1.908
  280    HH   TYR  44           HH       TYR  44  -0.559   6.599  -5.150
  281    H    GLY  45           HN       GLY  45  -1.836   0.390  -1.579
  282    HA2  GLY  45           HA2      GLY  45  -2.035   0.762  -4.186
  283    HA3  GLY  45           HA1      GLY  45  -0.509  -0.109  -4.133
  284    H    GLU  46           HN       GLU  46  -2.073  -1.460  -5.580
  285    HA   GLU  46           HA       GLU  46  -4.086  -3.005  -4.381
  286    HB2  GLU  46           HB2      GLU  46  -2.438  -3.224  -6.862
  287    HB3  GLU  46           HB1      GLU  46  -3.411  -4.601  -6.364
  288    HG2  GLU  46           HG2      GLU  46  -5.410  -3.461  -6.655
  289    HG3  GLU  46           HG1      GLU  46  -4.634  -1.883  -6.558
  290    H    CYS  47           HN       CYS  47  -0.615  -3.378  -4.560
  291    HA   CYS  47           HA       CYS  47  -0.849  -5.882  -3.019
  292    HB2  CYS  47           HB2      CYS  47   1.313  -4.930  -4.899
  293    HB3  CYS  47           HB1      CYS  47   1.518  -6.303  -3.816
  294    H    CYS  48           HN       CYS  48  -1.043  -3.316  -1.791
  295    HA   CYS  48           HA       CYS  48   1.411  -3.404  -0.171
  296    HB2  CYS  48           HB2      CYS  48  -0.008  -0.821  -0.772
  297    HB3  CYS  48           HB1      CYS  48   1.606  -1.055  -0.108
  298    H    ASP  49           HN       ASP  49   0.978  -3.859   1.853
  299    HA   ASP  49           HA       ASP  49  -1.410  -2.739   3.119
  300    HB2  ASP  49           HB2      ASP  49  -1.695  -5.198   2.293
  301    HB3  ASP  49           HB1      ASP  49  -0.666  -5.596   3.666
  302    H    GLN  50           HN       GLN  50  -0.988  -1.916   5.072
  303    HA   GLN  50           HA       GLN  50   0.095  -1.355   6.989
  304    HB2  GLN  50           HB2      GLN  50   1.336  -4.086   6.621
  305    HB3  GLN  50           HB1      GLN  50   1.573  -3.084   8.045
  306    HG2  GLN  50           HG2      GLN  50  -1.026  -3.077   8.137
  307    HG3  GLN  50           HG1      GLN  50  -0.874  -4.510   7.121
  308   HE21  GLN  50          HE21      GLN  50  -1.160  -6.239   8.325
  309   HE22  GLN  50          HE22      GLN  50  -0.470  -6.523   9.883
  310    H    CYS  51           HN       CYS  51   2.732  -3.230   5.518
  311    HA   CYS  51           HA       CYS  51   4.094  -0.965   4.480
  312    HB2  CYS  51           HB2      CYS  51   4.651  -1.776   7.265
  313    HB3  CYS  51           HB1      CYS  51   6.073  -1.547   6.253
  314    H    ARG  52           HN       ARG  52   3.358  -3.503   3.520
  315    HA   ARG  52           HA       ARG  52   5.883  -4.385   2.479
  316    HB2  ARG  52           HB2      ARG  52   5.264  -5.609   4.791
  317    HB3  ARG  52           HB1      ARG  52   4.366  -6.635   3.681
  318    HG2  ARG  52           HG2      ARG  52   6.325  -7.754   3.642
  319    HG3  ARG  52           HG1      ARG  52   6.692  -6.572   2.384
  320    HD2  ARG  52           HD2      ARG  52   7.584  -5.125   4.328
  321    HD3  ARG  52           HD1      ARG  52   7.596  -6.634   5.240
  322    HE   ARG  52           HE       ARG  52   8.928  -6.811   2.700
  323   HH11  ARG  52          HH11      ARG  52   9.290  -5.952   6.063
  324   HH12  ARG  52          HH12      ARG  52  11.003  -6.203   6.073
  325   HH21  ARG  52          HH21      ARG  52  11.182  -7.143   2.711
  326   HH22  ARG  52          HH22      ARG  52  12.077  -6.879   4.169
  327    H    PHE  53           HN       PHE  53   5.635  -5.870   0.682
  328    HA   PHE  53           HA       PHE  53   3.308  -5.332  -0.841
  329    HB2  PHE  53           HB2      PHE  53   5.633  -7.200  -1.275
  330    HB3  PHE  53           HB1      PHE  53   4.288  -7.100  -2.412
  331    HD1  PHE  53           HD2      PHE  53   3.650  -4.474  -2.843
  332    HD2  PHE  53           HD1      PHE  53   7.493  -6.058  -1.963
  333    HE1  PHE  53           HE2      PHE  53   4.683  -2.545  -3.940
  334    HE2  PHE  53           HE1      PHE  53   8.546  -4.123  -3.063
  335    HZ   PHE  53           HZ       PHE  53   7.140  -2.359  -4.057
  336    H    LYS  54           HN       LYS  54   1.550  -6.583  -1.340
  337    HA   LYS  54           HA       LYS  54   0.670  -8.448   0.566
  338    HB2  LYS  54           HB2      LYS  54  -0.273  -7.505  -2.083
  339    HB3  LYS  54           HB1      LYS  54  -0.902  -9.053  -1.536
  340    HG2  LYS  54           HG2      LYS  54  -1.076  -6.452  -0.027
  341    HG3  LYS  54           HG1      LYS  54  -2.383  -7.212  -0.938
  342    HD2  LYS  54           HD2      LYS  54  -2.090  -9.224   0.564
  343    HD3  LYS  54           HD1      LYS  54  -1.034  -8.220   1.559
  344    HE2  LYS  54           HE2      LYS  54  -2.937  -7.716   2.646
  345    HE3  LYS  54           HE1      LYS  54  -3.183  -6.595   1.307
  346    HZ1  LYS  54           HZ1      LYS  54  -4.290  -9.341   1.534
  347    HZ2  LYS  54           HZ2      LYS  54  -4.460  -8.346   0.177
  348    HZ3  LYS  54           HZ3      LYS  54  -5.156  -7.892   1.649
  349    H    LYS  55           HN       LYS  55   1.961 -10.175   0.906
  350    HA   LYS  55           HA       LYS  55   3.628 -11.617  -0.526
  351    HB2  LYS  55           HB2      LYS  55   2.861 -12.198   1.765
  352    HB3  LYS  55           HB1      LYS  55   1.432 -12.945   1.066
  353    HG2  LYS  55           HG2      LYS  55   2.800 -14.580  -0.074
  354    HG3  LYS  55           HG1      LYS  55   4.267 -13.798   0.518
  355    HD2  LYS  55           HD2      LYS  55   2.242 -14.648   2.519
  356    HD3  LYS  55           HD1      LYS  55   3.204 -15.903   1.736
  357    HE2  LYS  55           HE2      LYS  55   4.649 -15.467   3.410
  358    HE3  LYS  55           HE1      LYS  55   5.141 -14.140   2.358
  359    HZ1  LYS  55           HZ1      LYS  55   4.222 -12.611   3.710
  360    HZ2  LYS  55           HZ2      LYS  55   4.424 -13.806   4.889
  361    HZ3  LYS  55           HZ3      LYS  55   2.918 -13.595   4.149
  362    H    ALA  56           HN       ALA  56   3.745 -12.687  -2.379
  363    HA   ALA  56           HA       ALA  56   1.911 -12.724  -4.356
  364    HB1  ALA  56           HB1      ALA  56   3.995 -13.454  -5.019
  365    HB2  ALA  56           HB2      ALA  56   3.050 -14.942  -5.087
  366    HB3  ALA  56           HB3      ALA  56   4.113 -14.634  -3.713
  367    H    GLY  57           HN       GLY  57   0.012 -13.637  -4.746
  368    HA2  GLY  57           HA2      GLY  57  -1.298 -15.734  -4.773
  369    HA3  GLY  57           HA1      GLY  57  -0.737 -16.002  -3.127
  370    H    THR  58           HN       THR  58  -1.127 -12.867  -3.006
  371    HA   THR  58           HA       THR  58  -3.722 -13.017  -1.771
  372    HB   THR  58           HB       THR  58  -1.773 -10.746  -2.220
  373    HG1  THR  58           HG1      THR  58  -2.507 -12.256   0.062
  374   HG21  THR  58          HG21      THR  58  -4.482 -10.424  -1.704
  375   HG22  THR  58          HG22      THR  58  -3.197  -9.231  -1.486
  376   HG23  THR  58          HG23      THR  58  -3.690 -10.257  -0.137
  377    H    VAL  59           HN       VAL  59  -5.441 -13.150  -3.136
  378    HA   VAL  59           HA       VAL  59  -5.477 -12.121  -5.747
  379    HB   VAL  59           HB       VAL  59  -7.008 -13.914  -5.037
  380   HG11  VAL  59          HG11      VAL  59  -8.945 -12.094  -3.796
  381   HG12  VAL  59          HG12      VAL  59  -7.497 -12.409  -2.839
  382   HG13  VAL  59          HG13      VAL  59  -8.508 -13.750  -3.375
  383   HG21  VAL  59          HG21      VAL  59  -8.973 -11.884  -5.809
  384   HG22  VAL  59          HG22      VAL  59  -8.499 -13.373  -6.625
  385   HG23  VAL  59          HG23      VAL  59  -7.525 -11.915  -6.814
  386    H    CYS  60           HN       CYS  60  -5.707 -10.161  -6.471
  387    HA   CYS  60           HA       CYS  60  -6.803  -8.081  -4.698
  388    HB2  CYS  60           HB2      CYS  60  -4.684  -7.328  -5.154
  389    HB3  CYS  60           HB1      CYS  60  -4.616  -8.149  -6.704
  390    H    ARG  61           HN       ARG  61  -7.079  -9.655  -7.779
  391    HA   ARG  61           HA       ARG  61  -9.650  -8.402  -8.230
  392    HB2  ARG  61           HB2      ARG  61  -7.894  -8.310 -10.622
  393    HB3  ARG  61           HB1      ARG  61  -9.229  -7.263 -10.165
  394    HG2  ARG  61           HG2      ARG  61  -7.754  -6.254  -8.439
  395    HG3  ARG  61           HG1      ARG  61  -6.428  -7.210  -9.096
  396    HD2  ARG  61           HD2      ARG  61  -8.031  -5.497 -10.934
  397    HD3  ARG  61           HD1      ARG  61  -6.835  -4.739  -9.884
  398    HE   ARG  61           HE       ARG  61  -5.940  -6.991 -11.498
  399   HH11  ARG  61          HH11      ARG  61  -6.096  -3.523 -11.101
  400   HH12  ARG  61          HH12      ARG  61  -4.778  -3.220 -12.181
  401   HH21  ARG  61          HH21      ARG  61  -4.212  -6.588 -12.917
  402   HH22  ARG  61          HH22      ARG  61  -3.710  -4.956 -13.213
  403    H    ILE  62           HN       ILE  62 -10.360  -9.164 -10.592
  404    HA   ILE  62           HA       ILE  62  -9.521 -11.681 -11.515
  405    HB   ILE  62           HB       ILE  62 -10.461 -12.649  -9.542
  406   HG12  ILE  62          HG12      ILE  62 -12.247 -14.062 -10.452
  407   HG13  ILE  62          HG11      ILE  62 -12.489 -12.925 -11.774
  408   HG21  ILE  62          HG21      ILE  62 -11.982 -10.488  -9.320
  409   HG22  ILE  62          HG22      ILE  62 -12.369 -12.001  -8.500
  410   HG23  ILE  62          HG23      ILE  62 -13.178 -11.584 -10.013
  411   HD11  ILE  62          HD11      ILE  62 -10.314 -14.896 -11.338
  412   HD12  ILE  62          HD12      ILE  62  -9.956 -13.422 -12.235
  413   HD13  ILE  62          HD13      ILE  62 -11.220 -14.513 -12.800
  414    H    ALA  63           HN       ALA  63 -10.278 -11.938 -13.515
  415    HA   ALA  63           HA       ALA  63 -11.644  -9.903 -14.803
  416    HB1  ALA  63           HB1      ALA  63 -12.083 -12.151 -16.384
  417    HB2  ALA  63           HB2      ALA  63 -10.574 -12.469 -15.528
  418    HB3  ALA  63           HB3      ALA  63 -10.748 -11.006 -16.493
  419    H    ARG  64           HN       ARG  64 -13.217 -13.004 -15.274
  420    HA   ARG  64           HA       ARG  64 -15.578 -12.075 -13.827
  421    HB2  ARG  64           HB2      ARG  64 -15.457 -11.535 -16.456
  422    HB3  ARG  64           HB1      ARG  64 -16.107 -13.168 -16.533
  423    HG2  ARG  64           HG2      ARG  64 -17.976 -11.762 -16.528
  424    HG3  ARG  64           HG1      ARG  64 -17.867 -12.383 -14.880
  425    HD2  ARG  64           HD2      ARG  64 -16.395 -10.181 -14.583
  426    HD3  ARG  64           HD1      ARG  64 -17.413  -9.643 -15.919
  427    HE   ARG  64           HE       ARG  64 -18.899 -10.818 -13.765
  428   HH11  ARG  64          HH11      ARG  64 -17.425  -7.878 -14.931
  429   HH12  ARG  64          HH12      ARG  64 -18.462  -6.844 -14.007
  430   HH21  ARG  64          HH21      ARG  64 -20.264  -9.460 -12.550
  431   HH22  ARG  64          HH22      ARG  64 -20.074  -7.741 -12.655
  432    H    GLY  65           HN       GLY  65 -15.125 -13.814 -12.385
  433    HA2  GLY  65           HA2      GLY  65 -16.407 -15.954 -12.072
  434    HA3  GLY  65           HA1      GLY  65 -15.620 -16.480 -13.554
  435    H    ASP  66           HN       ASP  66 -13.683 -17.430 -13.445
  436    HA   ASP  66           HA       ASP  66 -11.704 -16.968 -11.560
  437    HB2  ASP  66           HB2      ASP  66 -13.745 -18.242 -10.289
  438    HB3  ASP  66           HB1      ASP  66 -12.775 -19.615 -10.811
  439    H    TRP  67           HN       TRP  67 -10.445 -17.161 -13.370
  440    HA   TRP  67           HA       TRP  67 -10.058 -19.901 -14.390
  441    HB2  TRP  67           HB2      TRP  67  -8.962 -18.091 -16.256
  442    HB3  TRP  67           HB1      TRP  67 -10.396 -19.090 -16.456
  443    HD1  TRP  67           HD1      TRP  67  -9.564 -15.585 -14.947
  444    HE1  TRP  67           HE1      TRP  67 -11.536 -14.040 -15.472
  445    HE3  TRP  67           HE3      TRP  67 -12.616 -18.932 -17.304
  446    HZ2  TRP  67           HZ2      TRP  67 -14.044 -14.198 -16.723
  447    HZ3  TRP  67           HZ3      TRP  67 -14.795 -18.150 -18.146
  448    HH2  TRP  67           HH2      TRP  67 -15.493 -15.826 -17.861
  449    H    ASN  68           HN       ASN  68  -8.343 -16.830 -14.502
  450    HA   ASN  68           HA       ASN  68  -5.879 -18.178 -13.647
  451    HB2  ASN  68           HB2      ASN  68  -5.903 -15.404 -14.775
  452    HB3  ASN  68           HB1      ASN  68  -4.658 -16.644 -14.892
  453   HD21  ASN  68          HD21      ASN  68  -7.912 -15.809 -15.993
  454   HD22  ASN  68          HD22      ASN  68  -7.795 -16.612 -17.517
  455    H    ASP  69           HN       ASP  69  -8.078 -15.539 -13.019
  456    HA   ASP  69           HA       ASP  69  -8.416 -14.199 -11.221
  457    HB2  ASP  69           HB2      ASP  69  -6.976 -16.526 -10.038
  458    HB3  ASP  69           HB1      ASP  69  -7.218 -15.094  -9.043
  459    H    ASP  70           HN       ASP  70  -7.551 -12.396 -10.279
  460    HA   ASP  70           HA       ASP  70  -4.857 -11.734 -11.091
  461    HB2  ASP  70           HB2      ASP  70  -6.830 -10.127 -11.245
  462    HB3  ASP  70           HB1      ASP  70  -6.750 -10.013  -9.494
  463    H    TYR  71           HN       TYR  71  -3.112 -11.860  -9.829
  464    HA   TYR  71           HA       TYR  71  -3.535 -11.953  -6.931
  465    HB2  TYR  71           HB2      TYR  71  -2.213 -14.002  -8.651
  466    HB3  TYR  71           HB1      TYR  71  -1.670 -13.770  -6.989
  467    HD1  TYR  71           HD2      TYR  71  -3.423 -13.866  -5.165
  468    HD2  TYR  71           HD1      TYR  71  -4.093 -15.302  -9.097
  469    HE1  TYR  71           HE2      TYR  71  -5.284 -15.219  -4.328
  470    HE2  TYR  71           HE1      TYR  71  -5.973 -16.654  -8.297
  471    HH   TYR  71           HH       TYR  71  -6.679 -17.702  -6.075
  472    H    CYS  72           HN       CYS  72  -1.932 -11.269  -5.647
  473    HA   CYS  72           HA       CYS  72  -0.125  -9.354  -6.737
  474    HB2  CYS  72           HB2      CYS  72  -0.881 -10.354  -4.038
  475    HB3  CYS  72           HB1      CYS  72   0.676  -9.540  -4.193
  476    H    THR  73           HN       THR  73   2.250  -9.413  -6.085
  477    HA   THR  73           HA       THR  73   3.279 -12.161  -6.357
  478    HB   THR  73           HB       THR  73   4.978 -11.408  -7.841
  479    HG1  THR  73           HG1      THR  73   5.316  -9.244  -8.283
  480   HG21  THR  73          HG21      THR  73   2.359 -11.270  -8.574
  481   HG22  THR  73          HG22      THR  73   3.734 -11.130  -9.670
  482   HG23  THR  73          HG23      THR  73   2.958  -9.677  -9.039
  483    H    GLY  74           HN       GLY  74   3.067  -9.694  -4.237
  484    HA2  GLY  74           HA2      GLY  74   4.236  -9.092  -2.358
  485    HA3  GLY  74           HA1      GLY  74   4.964 -10.687  -2.458
  486    H    LYS  75           HN       LYS  75   5.421  -8.609  -5.155
  487    HA   LYS  75           HA       LYS  75   8.118  -7.919  -4.199
  488    HB2  LYS  75           HB2      LYS  75   7.355  -8.775  -6.997
  489    HB3  LYS  75           HB1      LYS  75   8.958  -8.268  -6.483
  490    HG2  LYS  75           HG2      LYS  75   8.544 -10.241  -4.724
  491    HG3  LYS  75           HG1      LYS  75   7.546 -10.823  -6.058
  492    HD2  LYS  75           HD2      LYS  75  10.352  -9.881  -6.532
  493    HD3  LYS  75           HD1      LYS  75  10.033 -11.521  -5.963
  494    HE2  LYS  75           HE2      LYS  75   9.050 -12.159  -7.924
  495    HE3  LYS  75           HE1      LYS  75   8.483 -10.532  -8.296
  496    HZ1  LYS  75           HZ1      LYS  75  10.396 -11.533  -9.668
  497    HZ2  LYS  75           HZ2      LYS  75  11.365 -11.143  -8.337
  498    HZ3  LYS  75           HZ3      LYS  75  10.523  -9.926  -9.154
  499    H    SER  76           HN       SER  76   5.365  -7.065  -6.206
  500    HA   SER  76           HA       SER  76   6.351  -4.292  -6.262
  501    HB2  SER  76           HB2      SER  76   6.512  -5.055  -8.512
  502    HB3  SER  76           HB1      SER  76   4.939  -5.849  -8.430
  503    HG   SER  76           HG       SER  76   4.268  -4.040  -9.272
  504    H    SER  77           HN       SER  77   4.508  -2.716  -6.675
  505    HA   SER  77           HA       SER  77   2.420  -3.274  -4.739
  506    HB2  SER  77           HB2      SER  77   1.842  -0.865  -5.092
  507    HB3  SER  77           HB1      SER  77   3.515  -1.121  -4.598
  508    HG   SER  77           HG       SER  77   2.551   0.006  -6.854
  509    H    ASP  78           HN       ASP  78   2.659  -4.165  -7.792
  510    HA   ASP  78           HA       ASP  78  -0.082  -3.385  -8.526
  511    HB2  ASP  78           HB2      ASP  78   2.354  -4.049 -10.128
  512    HB3  ASP  78           HB1      ASP  78   0.771  -4.390 -10.821
  513    H    CYS  79           HN       CYS  79  -1.574  -4.909  -9.149
  514    HA   CYS  79           HA       CYS  79  -0.909  -7.692  -8.443
  515    HB2  CYS  79           HB2      CYS  79  -3.173  -7.950  -7.680
  516    HB3  CYS  79           HB1      CYS  79  -2.502  -6.502  -6.933
  517    HA   PRO  80           HA       PRO  80  -1.779  -8.036 -12.929
  518    HB2  PRO  80           HB2      PRO  80  -0.583 -10.464 -13.206
  519    HB3  PRO  80           HB1      PRO  80   0.310  -8.939 -13.219
  520    HG2  PRO  80           HG2      PRO  80  -0.088 -10.880 -10.972
  521    HG3  PRO  80           HG1      PRO  80   1.392 -10.044 -11.478
  522    HD2  PRO  80           HD2      PRO  80  -0.075  -9.199  -9.384
  523    HD3  PRO  80           HD1      PRO  80   0.776  -8.065 -10.452
  524    H    TRP  81           HN       TRP  81  -3.405  -9.077 -13.995
  525    HA   TRP  81           HA       TRP  81  -5.332 -10.530 -12.485
  526    HB2  TRP  81           HB2      TRP  81  -5.599 -10.804 -15.382
  527    HB3  TRP  81           HB1      TRP  81  -6.743 -10.184 -14.198
  528    HD1  TRP  81           HD1      TRP  81  -3.872  -9.006 -16.481
  529    HE1  TRP  81           HE1      TRP  81  -4.115  -6.461 -16.801
  530    HE3  TRP  81           HE3      TRP  81  -7.636  -8.159 -13.174
  531    HZ2  TRP  81           HZ2      TRP  81  -5.715  -4.372 -15.775
  532    HZ3  TRP  81           HZ3      TRP  81  -8.490  -5.861 -12.894
  533    HH2  TRP  81           HH2      TRP  81  -7.541  -4.003 -14.169
  534    H    ASN  82           HN       ASN  82  -2.616 -11.435 -14.311
  535    HA   ASN  82           HA       ASN  82  -1.600 -13.480 -14.563
  536    HB2  ASN  82           HB2      ASN  82  -2.947 -14.086 -12.427
  537    HB3  ASN  82           HB1      ASN  82  -4.066 -14.872 -13.537
  538   HD21  ASN  82          HD21      ASN  82  -1.567 -15.430 -11.553
  539   HD22  ASN  82          HD22      ASN  82  -0.879 -16.825 -12.304
  540    H    HIS  83           HN       HIS  83  -3.438 -12.079 -16.390
  541    HA   HIS  83           HA       HIS  83  -4.533 -14.282 -17.977
  542    HB2  HIS  83           HB2      HIS  83  -4.909 -11.289 -18.260
  543    HB3  HIS  83           HB1      HIS  83  -5.727 -12.522 -19.218
  544    HD1  HIS  83           HD1      HIS  83  -7.195 -10.433 -17.362
  545    HD2  HIS  83           HD2      HIS  83  -6.317 -14.369 -16.373
  546    HE1  HIS  83           HE1      HIS  83  -8.822 -11.051 -15.546
  547    HE2  HIS  83           HE2      HIS  83  -8.339 -13.469 -15.037
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1  -8.199  23.004  16.087
    2    H2   SER   1           HT2      SER   1  -6.962  23.111  17.272
    3    H3   SER   1           HT3      SER   1  -7.738  21.610  16.970
    4    HA   SER   1           HA       SER   1  -6.899  21.786  14.656
    5    HB2  SER   1           HB2      SER   1  -6.408  24.225  14.849
    6    HB3  SER   1           HB1      SER   1  -5.106  23.842  15.976
    7    HG   SER   1           HG       SER   1  -5.271  23.404  13.218
    8    HA   PRO   2           HA       PRO   2  -4.547  18.902  17.375
    9    HB2  PRO   2           HB2      PRO   2  -5.053  16.696  15.879
   10    HB3  PRO   2           HB1      PRO   2  -6.175  17.302  17.102
   11    HG2  PRO   2           HG2      PRO   2  -6.226  17.679  14.132
   12    HG3  PRO   2           HG1      PRO   2  -7.564  17.307  15.236
   13    HD2  PRO   2           HD2      PRO   2  -7.100  19.805  14.298
   14    HD3  PRO   2           HD1      PRO   2  -7.786  19.502  15.907
   15    HA   PRO   3           HA       PRO   3  -0.843  18.868  14.948
   16    HB2  PRO   3           HB2      PRO   3   0.451  16.732  16.005
   17    HB3  PRO   3           HB1      PRO   3   0.282  18.268  16.862
   18    HG2  PRO   3           HG2      PRO   3  -1.307  15.748  17.159
   19    HG3  PRO   3           HG1      PRO   3  -0.677  16.829  18.416
   20    HD2  PRO   3           HD2      PRO   3  -3.259  16.889  17.609
   21    HD3  PRO   3           HD1      PRO   3  -2.398  18.342  18.154
   22    H    VAL   4           HN       VAL   4  -0.468  18.263  12.995
   23    HA   VAL   4           HA       VAL   4  -0.689  15.534  12.163
   24    HB   VAL   4           HB       VAL   4  -1.970  17.342  10.250
   25   HG11  VAL   4          HG11      VAL   4  -2.065  15.126   9.660
   26   HG12  VAL   4          HG12      VAL   4  -3.641  15.340  10.418
   27   HG13  VAL   4          HG13      VAL   4  -2.324  14.582  11.314
   28   HG21  VAL   4          HG21      VAL   4  -3.446  16.652  12.786
   29   HG22  VAL   4          HG22      VAL   4  -4.112  17.469  11.372
   30   HG23  VAL   4          HG23      VAL   4  -2.876  18.262  12.348
   31    H    CYS   5           HN       CYS   5   1.516  15.589  11.810
   32    HA   CYS   5           HA       CYS   5   2.828  17.698  10.435
   33    HB2  CYS   5           HB2      CYS   5   4.283  15.238  10.066
   34    HB3  CYS   5           HB1      CYS   5   4.701  16.626  11.052
   35    H    GLY   6           HN       GLY   6   1.949  18.205   8.525
   36    HA2  GLY   6           HA2      GLY   6   2.084  17.985   6.165
   37    HA3  GLY   6           HA1      GLY   6   2.240  16.244   6.364
   38    H    ASN   7           HN       ASN   7  -0.148  17.733   8.297
   39    HA   ASN   7           HA       ASN   7  -2.410  17.662   8.337
   40    HB2  ASN   7           HB2      ASN   7  -1.810  18.096   5.452
   41    HB3  ASN   7           HB1      ASN   7  -3.445  17.571   5.852
   42   HD21  ASN   7          HD21      ASN   7  -4.452  18.828   7.695
   43   HD22  ASN   7          HD22      ASN   7  -4.229  20.541   7.669
   44    H    LYS   8           HN       LYS   8  -3.909  16.083   8.611
   45    HA   LYS   8           HA       LYS   8  -3.282  13.433   8.544
   46    HB2  LYS   8           HB2      LYS   8  -5.213  14.111   9.752
   47    HB3  LYS   8           HB1      LYS   8  -5.965  14.792   8.318
   48    HG2  LYS   8           HG2      LYS   8  -7.006  12.686   9.034
   49    HG3  LYS   8           HG1      LYS   8  -6.328  12.588   7.408
   50    HD2  LYS   8           HD2      LYS   8  -4.228  11.656   8.613
   51    HD3  LYS   8           HD1      LYS   8  -5.340  11.353   9.950
   52    HE2  LYS   8           HE2      LYS   8  -6.190  10.464   7.256
   53    HE3  LYS   8           HE1      LYS   8  -4.874   9.571   8.015
   54    HZ1  LYS   8           HZ1      LYS   8  -6.494   9.579  10.038
   55    HZ2  LYS   8           HZ2      LYS   8  -6.687   8.446   8.796
   56    HZ3  LYS   8           HZ3      LYS   8  -7.676   9.817   8.851
   57    H    ILE   9           HN       ILE   9  -2.438  12.413   6.800
   58    HA   ILE   9           HA       ILE   9  -2.932  13.015   4.146
   59    HB   ILE   9           HB       ILE   9  -2.361  10.625   3.569
   60   HG12  ILE   9          HG12      ILE   9  -1.184   9.473   5.569
   61   HG13  ILE   9          HG11      ILE   9  -2.270  10.446   6.562
   62   HG21  ILE   9          HG21      ILE   9  -0.006  10.909   4.283
   63   HG22  ILE   9          HG22      ILE   9  -0.529  12.239   5.310
   64   HG23  ILE   9          HG23      ILE   9  -0.711  12.355   3.561
   65   HD11  ILE   9          HD11      ILE   9  -2.780   7.971   5.385
   66   HD12  ILE   9          HD12      ILE   9  -3.729   9.140   4.466
   67   HD13  ILE   9          HD13      ILE   9  -3.928   9.021   6.215
   68    H    LEU  10           HN       LEU  10  -4.602  12.971   2.909
   69    HA   LEU  10           HA       LEU  10  -6.982  11.576   3.770
   70    HB2  LEU  10           HB2      LEU  10  -8.047  12.859   1.879
   71    HB3  LEU  10           HB1      LEU  10  -7.373  13.818   3.183
   72    HG   LEU  10           HG       LEU  10  -7.009  14.526   0.697
   73   HD11  LEU  10          HD11      LEU  10  -4.421  14.729   1.997
   74   HD12  LEU  10          HD12      LEU  10  -5.763  15.107   3.077
   75   HD13  LEU  10          HD13      LEU  10  -5.577  15.988   1.561
   76   HD21  LEU  10          HD21      LEU  10  -6.083  12.360  -0.028
   77   HD22  LEU  10          HD22      LEU  10  -4.709  12.608   1.048
   78   HD23  LEU  10          HD23      LEU  10  -4.975  13.703  -0.307
   79    H    GLU  11           HN       GLU  11  -4.487  10.465   2.253
   80    HA   GLU  11           HA       GLU  11  -5.686   8.254   1.099
   81    HB2  GLU  11           HB2      GLU  11  -5.625   8.652  -1.269
   82    HB3  GLU  11           HB1      GLU  11  -6.589   9.919  -0.529
   83    HG2  GLU  11           HG2      GLU  11  -4.279  11.190  -0.515
   84    HG3  GLU  11           HG1      GLU  11  -3.929  10.071  -1.832
   85    H    GLN  12           HN       GLN  12  -3.232   9.127   2.531
   86    HA   GLN  12           HA       GLN  12  -1.210   8.186   0.621
   87    HB2  GLN  12           HB2      GLN  12  -0.696   9.587   3.230
   88    HB3  GLN  12           HB1      GLN  12   0.466   9.250   1.966
   89    HG2  GLN  12           HG2      GLN  12  -1.801  11.220   1.904
   90    HG3  GLN  12           HG1      GLN  12  -0.071  11.553   1.851
   91   HE21  GLN  12          HE21      GLN  12   0.456  12.289  -0.067
   92   HE22  GLN  12          HE22      GLN  12  -0.109  11.689  -1.585
   93    H    GLY  13           HN       GLY  13  -1.129   8.126   4.160
   94    HA2  GLY  13           HA2      GLY  13  -0.862   6.379   5.640
   95    HA3  GLY  13           HA1      GLY  13  -1.467   5.305   4.385
   96    H    GLU  14           HN       GLU  14   1.188   7.348   3.650
   97    HA   GLU  14           HA       GLU  14   3.520   6.438   4.369
   98    HB2  GLU  14           HB2      GLU  14   2.216   4.213   2.884
   99    HB3  GLU  14           HB1      GLU  14   3.912   4.523   2.544
  100    HG2  GLU  14           HG2      GLU  14   4.597   3.912   4.633
  101    HG3  GLU  14           HG1      GLU  14   3.044   4.292   5.375
  102    H    ASP  15           HN       ASP  15   1.456   7.179   1.764
  103    HA   ASP  15           HA       ASP  15   3.149   7.503  -0.386
  104    HB2  ASP  15           HB2      ASP  15   0.566   7.953  -0.044
  105    HB3  ASP  15           HB1      ASP  15   1.114   9.609   0.185
  106    H    CYS  16           HN       CYS  16   2.189  10.106   1.858
  107    HA   CYS  16           HA       CYS  16   4.716  11.064   2.428
  108    HB2  CYS  16           HB2      CYS  16   5.275  11.697   0.292
  109    HB3  CYS  16           HB1      CYS  16   3.607  12.018  -0.165
  110    H    ASP  17           HN       ASP  17   4.553  12.449   4.031
  111    HA   ASP  17           HA       ASP  17   3.770  13.963   5.518
  112    HB2  ASP  17           HB2      ASP  17   2.386  14.718   3.030
  113    HB3  ASP  17           HB1      ASP  17   1.572  15.233   4.503
  114    H    CYS  18           HN       CYS  18   3.076  11.463   5.998
  115    HA   CYS  18           HA       CYS  18   0.593  10.475   6.129
  116    HB2  CYS  18           HB2      CYS  18   2.295  10.557   8.627
  117    HB3  CYS  18           HB1      CYS  18   1.155   9.312   8.135
  118    H    GLY  19           HN       GLY  19   1.638  13.346   7.809
  119    HA2  GLY  19           HA2      GLY  19   0.417  14.943   8.919
  120    HA3  GLY  19           HA1      GLY  19  -1.020  14.155   8.299
  121    H    SER  20           HN       SER  20  -1.820  12.271   9.453
  122    HA   SER  20           HA       SER  20  -2.214  12.780  12.119
  123    HB2  SER  20           HB2      SER  20  -3.380  10.796  12.243
  124    HB3  SER  20           HB1      SER  20  -3.438  11.169  10.523
  125    HG   SER  20           HG       SER  20  -2.289   9.449  10.119
  126    HA   PRO  21           HA       PRO  21   1.884  12.098  13.744
  127    HB2  PRO  21           HB2      PRO  21   0.177  12.200  16.194
  128    HB3  PRO  21           HB1      PRO  21   1.719  13.001  15.864
  129    HG2  PRO  21           HG2      PRO  21  -0.557  14.365  15.710
  130    HG3  PRO  21           HG1      PRO  21   0.737  14.631  14.526
  131    HD2  PRO  21           HD2      PRO  21  -1.842  13.168  14.213
  132    HD3  PRO  21           HD1      PRO  21  -0.932  14.107  13.018
  133    H    ALA  22           HN       ALA  22  -0.983  10.198  14.375
  134    HA   ALA  22           HA       ALA  22   0.066   8.181  15.974
  135    HB1  ALA  22           HB1      ALA  22  -2.157   7.825  15.729
  136    HB2  ALA  22           HB2      ALA  22  -1.619   6.763  14.428
  137    HB3  ALA  22           HB3      ALA  22  -2.174   8.396  14.060
  138    H    ASN  23           HN       ASN  23   0.698   8.988  12.690
  139    HA   ASN  23           HA       ASN  23   2.434   6.634  12.432
  140    HB2  ASN  23           HB2      ASN  23   0.800   7.898  10.220
  141    HB3  ASN  23           HB1      ASN  23   1.889   6.522  10.049
  142   HD21  ASN  23          HD21      ASN  23  -0.582   6.159   9.191
  143   HD22  ASN  23          HD22      ASN  23  -1.495   5.167  10.272
  144    H    CYS  24           HN       CYS  24   2.796   9.571  13.184
  145    HA   CYS  24           HA       CYS  24   4.480  10.534  11.015
  146    HB2  CYS  24           HB2      CYS  24   2.906  12.044  12.267
  147    HB3  CYS  24           HB1      CYS  24   3.930  11.846  13.683
  148    H    GLN  25           HN       GLN  25   6.605  10.274  10.944
  149    HA   GLN  25           HA       GLN  25   8.747   9.785  11.536
  150    HB2  GLN  25           HB2      GLN  25   8.074  10.206  14.430
  151    HB3  GLN  25           HB1      GLN  25   9.576  10.549  13.584
  152    HG2  GLN  25           HG2      GLN  25   7.650  12.152  12.351
  153    HG3  GLN  25           HG1      GLN  25   7.320  12.258  14.080
  154   HE21  GLN  25          HE21      GLN  25  10.355  11.896  12.293
  155   HE22  GLN  25          HE22      GLN  25  11.100  13.322  12.923
  156    H    ASP  26           HN       ASP  26   6.436   7.828  11.726
  157    HA   ASP  26           HA       ASP  26   7.875   5.525  12.312
  158    HB2  ASP  26           HB2      ASP  26   7.304   6.740  14.676
  159    HB3  ASP  26           HB1      ASP  26   5.883   5.717  14.487
  160    H    ARG  27           HN       ARG  27   6.002   3.728  13.086
  161    HA   ARG  27           HA       ARG  27   4.203   2.529  12.387
  162    HB2  ARG  27           HB2      ARG  27   3.112   4.848  12.986
  163    HB3  ARG  27           HB1      ARG  27   2.898   4.964  11.245
  164    HG2  ARG  27           HG2      ARG  27   1.017   3.821  11.494
  165    HG3  ARG  27           HG1      ARG  27   2.007   2.412  11.879
  166    HD2  ARG  27           HD2      ARG  27   1.679   4.183  14.157
  167    HD3  ARG  27           HD1      ARG  27   0.134   3.617  13.526
  168    HE   ARG  27           HE       ARG  27   0.640   1.501  14.255
  169   HH11  ARG  27          HH11      ARG  27   3.518   3.472  14.379
  170   HH12  ARG  27          HH12      ARG  27   4.440   2.292  15.247
  171   HH21  ARG  27          HH21      ARG  27   1.851  -0.052  15.397
  172   HH22  ARG  27          HH22      ARG  27   3.494   0.291  15.825
  173    H    CYS  28           HN       CYS  28   6.433   2.836  10.673
  174    HA   CYS  28           HA       CYS  28   7.090   2.251   8.583
  175    HB2  CYS  28           HB2      CYS  28   4.220   1.435   8.563
  176    HB3  CYS  28           HB1      CYS  28   5.108   1.431   7.045
  177    H    CYS  29           HN       CYS  29   6.050   5.046   9.202
  178    HA   CYS  29           HA       CYS  29   6.424   6.093   6.589
  179    HB2  CYS  29           HB2      CYS  29   4.347   6.691   5.889
  180    HB3  CYS  29           HB1      CYS  29   3.900   5.260   6.804
  181    H    ASN  30           HN       ASN  30   6.673   8.278   6.482
  182    HA   ASN  30           HA       ASN  30   6.946   9.600   9.096
  183    HB2  ASN  30           HB2      ASN  30   8.844   9.119   7.124
  184    HB3  ASN  30           HB1      ASN  30   8.422  10.818   6.938
  185   HD21  ASN  30          HD21      ASN  30  10.527   8.852   8.321
  186   HD22  ASN  30          HD22      ASN  30  10.963   9.773   9.719
  187    H    ALA  31           HN       ALA  31   5.474  11.023   9.455
  188    HA   ALA  31           HA       ALA  31   4.065  12.382   7.330
  189    HB1  ALA  31           HB1      ALA  31   3.383  13.598   9.734
  190    HB2  ALA  31           HB2      ALA  31   3.689  11.922  10.167
  191    HB3  ALA  31           HB3      ALA  31   2.504  12.303   8.933
  192    H    ALA  32           HN       ALA  32   6.975  12.706   8.885
  193    HA   ALA  32           HA       ALA  32   7.001  15.634   8.720
  194    HB1  ALA  32           HB1      ALA  32   8.919  13.722  10.037
  195    HB2  ALA  32           HB2      ALA  32   7.692  14.712  10.834
  196    HB3  ALA  32           HB3      ALA  32   9.067  15.482  10.040
  197    H    THR  33           HN       THR  33   8.678  12.765   7.446
  198    HA   THR  33           HA       THR  33  10.395  14.484   5.827
  199    HB   THR  33           HB       THR  33  11.245  12.195   4.982
  200    HG1  THR  33           HG1      THR  33  10.328  10.532   5.782
  201   HG21  THR  33          HG21      THR  33  12.809  11.998   6.701
  202   HG22  THR  33          HG22      THR  33  11.685  12.622   7.910
  203   HG23  THR  33          HG23      THR  33  12.368  13.706   6.697
  204    H    CYS  34           HN       CYS  34   7.345  13.296   5.575
  205    HA   CYS  34           HA       CYS  34   5.862  13.206   3.888
  206    HB2  CYS  34           HB2      CYS  34   6.483  15.205   2.947
  207    HB3  CYS  34           HB1      CYS  34   8.123  14.676   2.623
  208    H    LYS  35           HN       LYS  35   7.406  10.811   4.504
  209    HA   LYS  35           HA       LYS  35   6.681   9.336   2.182
  210    HB2  LYS  35           HB2      LYS  35   9.436  10.270   2.375
  211    HB3  LYS  35           HB1      LYS  35   9.304   8.528   2.179
  212    HG2  LYS  35           HG2      LYS  35   7.567  10.029   0.382
  213    HG3  LYS  35           HG1      LYS  35   9.285  10.366   0.155
  214    HD2  LYS  35           HD2      LYS  35   8.421   7.533   0.435
  215    HD3  LYS  35           HD1      LYS  35   8.088   8.363  -1.087
  216    HE2  LYS  35           HE2      LYS  35  10.161   7.718  -1.653
  217    HE3  LYS  35           HE1      LYS  35  10.680   9.064  -0.639
  218    HZ1  LYS  35           HZ1      LYS  35  11.724   6.799  -0.220
  219    HZ2  LYS  35           HZ2      LYS  35  10.249   6.365   0.486
  220    HZ3  LYS  35           HZ3      LYS  35  11.150   7.644   1.129
  221    H    LEU  36           HN       LEU  36   6.963   7.088   2.356
  222    HA   LEU  36           HA       LEU  36   6.443   6.009   4.855
  223    HB2  LEU  36           HB2      LEU  36   7.042   3.809   3.813
  224    HB3  LEU  36           HB1      LEU  36   5.863   4.756   2.923
  225    HG   LEU  36           HG       LEU  36   8.649   5.182   2.080
  226   HD11  LEU  36          HD11      LEU  36   9.009   2.905   2.385
  227   HD12  LEU  36          HD12      LEU  36   8.491   3.016   0.702
  228   HD13  LEU  36          HD13      LEU  36   7.354   2.485   1.941
  229   HD21  LEU  36          HD21      LEU  36   6.583   4.288   0.193
  230   HD22  LEU  36          HD22      LEU  36   7.673   5.673   0.117
  231   HD23  LEU  36          HD23      LEU  36   6.199   5.763   1.081
  232    H    THR  37           HN       THR  37   7.785   4.493   6.144
  233    HA   THR  37           HA       THR  37  10.511   5.542   6.347
  234    HB   THR  37           HB       THR  37  10.458   4.295   8.577
  235    HG1  THR  37           HG1      THR  37   8.358   3.842   9.333
  236   HG21  THR  37          HG21      THR  37   8.808   6.668   7.909
  237   HG22  THR  37          HG22      THR  37  10.251   6.536   8.914
  238   HG23  THR  37          HG23      THR  37   8.696   5.972   9.526
  239    HA   PRO  38           HA       PRO  38  12.941   2.136   5.029
  240    HB2  PRO  38           HB2      PRO  38  13.648   1.788   7.923
  241    HB3  PRO  38           HB1      PRO  38  14.704   1.776   6.504
  242    HG2  PRO  38           HG2      PRO  38  14.547   3.938   8.037
  243    HG3  PRO  38           HG1      PRO  38  14.637   4.087   6.272
  244    HD2  PRO  38           HD2      PRO  38  12.329   4.506   8.090
  245    HD3  PRO  38           HD1      PRO  38  12.680   5.250   6.518
  246    H    GLY  39           HN       GLY  39  12.677  -0.028   4.717
  247    HA2  GLY  39           HA2      GLY  39  12.080  -2.233   5.316
  248    HA3  GLY  39           HA1      GLY  39  11.214  -1.596   6.707
  249    H    SER  40           HN       SER  40   9.975   0.461   4.832
  250    HA   SER  40           HA       SER  40   7.676  -1.146   4.155
  251    HB2  SER  40           HB2      SER  40   7.325   1.047   5.163
  252    HB3  SER  40           HB1      SER  40   8.199   1.820   3.841
  253    HG   SER  40           HG       SER  40   5.790   0.337   3.588
  254    H    GLN  41           HN       GLN  41   7.658  -2.265   2.325
  255    HA   GLN  41           HA       GLN  41   9.301  -1.616   0.084
  256    HB2  GLN  41           HB2      GLN  41   7.342  -3.734   0.773
  257    HB3  GLN  41           HB1      GLN  41   7.594  -3.431  -0.940
  258    HG2  GLN  41           HG2      GLN  41  10.032  -3.690   0.689
  259    HG3  GLN  41           HG1      GLN  41   9.057  -5.148   0.516
  260   HE21  GLN  41          HE21      GLN  41   9.519  -2.526  -1.795
  261   HE22  GLN  41          HE22      GLN  41  10.264  -3.492  -3.018
  262    H    CYS  42           HN       CYS  42   5.879  -1.249   0.845
  263    HA   CYS  42           HA       CYS  42   5.644   0.650  -1.367
  264    HB2  CYS  42           HB2      CYS  42   4.831  -1.484  -2.253
  265    HB3  CYS  42           HB1      CYS  42   3.715  -1.631  -0.899
  266    H    ASN  43           HN       ASN  43   4.299   2.341  -0.984
  267    HA   ASN  43           HA       ASN  43   3.556   2.832   1.725
  268    HB2  ASN  43           HB2      ASN  43   2.568   4.948   0.761
  269    HB3  ASN  43           HB1      ASN  43   4.278   4.704   0.417
  270   HD21  ASN  43          HD21      ASN  43   4.876   5.028  -1.592
  271   HD22  ASN  43          HD22      ASN  43   3.860   4.940  -2.987
  272    H    TYR  44           HN       TYR  44   1.851   2.004  -1.224
  273    HA   TYR  44           HA       TYR  44  -0.270   0.719   0.062
  274    HB2  TYR  44           HB2      TYR  44  -2.102   2.244  -0.163
  275    HB3  TYR  44           HB1      TYR  44  -0.830   3.094   0.705
  276    HD1  TYR  44           HD1      TYR  44  -2.163   2.617  -2.749
  277    HD2  TYR  44           HD2      TYR  44  -0.189   5.206  -0.008
  278    HE1  TYR  44           HE1      TYR  44  -2.249   4.422  -4.407
  279    HE2  TYR  44           HE2      TYR  44  -0.268   7.024  -1.655
  280    HH   TYR  44           HH       TYR  44  -0.612   6.729  -4.708
  281    H    GLY  45           HN       GLY  45  -2.073   0.199  -1.506
  282    HA2  GLY  45           HA2      GLY  45  -2.502   0.566  -4.033
  283    HA3  GLY  45           HA1      GLY  45  -0.882  -0.097  -4.176
  284    H    GLU  46           HN       GLU  46  -2.278  -1.575  -5.565
  285    HA   GLU  46           HA       GLU  46  -4.077  -3.410  -4.496
  286    HB2  GLU  46           HB2      GLU  46  -2.229  -3.441  -6.852
  287    HB3  GLU  46           HB1      GLU  46  -3.127  -4.892  -6.430
  288    HG2  GLU  46           HG2      GLU  46  -4.961  -4.114  -7.386
  289    HG3  GLU  46           HG1      GLU  46  -4.886  -2.632  -6.435
  290    H    CYS  47           HN       CYS  47  -0.556  -3.654  -4.844
  291    HA   CYS  47           HA       CYS  47  -0.594  -6.107  -3.218
  292    HB2  CYS  47           HB2      CYS  47   1.248  -4.993  -5.281
  293    HB3  CYS  47           HB1      CYS  47   1.937  -6.011  -4.024
  294    H    CYS  48           HN       CYS  48  -0.976  -3.564  -1.934
  295    HA   CYS  48           HA       CYS  48   1.494  -3.513  -0.338
  296    HB2  CYS  48           HB2      CYS  48  -0.070  -1.006  -0.854
  297    HB3  CYS  48           HB1      CYS  48   1.590  -1.175  -0.291
  298    H    ASP  49           HN       ASP  49   1.184  -3.841   1.727
  299    HA   ASP  49           HA       ASP  49  -1.287  -2.962   3.015
  300    HB2  ASP  49           HB2      ASP  49  -1.226  -5.507   2.249
  301    HB3  ASP  49           HB1      ASP  49  -0.286  -5.683   3.727
  302    H    GLN  50           HN       GLN  50  -0.743  -1.812   4.743
  303    HA   GLN  50           HA       GLN  50   0.337  -1.073   6.606
  304    HB2  GLN  50           HB2      GLN  50   0.229  -3.513   7.240
  305    HB3  GLN  50           HB1      GLN  50   1.850  -3.689   6.582
  306    HG2  GLN  50           HG2      GLN  50   2.778  -2.891   8.428
  307    HG3  GLN  50           HG1      GLN  50   1.712  -1.487   8.440
  308   HE21  GLN  50          HE21      GLN  50   2.623  -2.962  10.705
  309   HE22  GLN  50          HE22      GLN  50   1.230  -3.626  11.482
  310    H    CYS  51           HN       CYS  51   2.839  -3.044   5.003
  311    HA   CYS  51           HA       CYS  51   4.190  -0.941   3.772
  312    HB2  CYS  51           HB2      CYS  51   6.248  -1.170   5.477
  313    HB3  CYS  51           HB1      CYS  51   5.025   0.083   5.623
  314    H    ARG  52           HN       ARG  52   3.465  -3.596   3.203
  315    HA   ARG  52           HA       ARG  52   6.016  -4.595   2.285
  316    HB2  ARG  52           HB2      ARG  52   5.347  -5.559   4.677
  317    HB3  ARG  52           HB1      ARG  52   4.373  -6.642   3.693
  318    HG2  ARG  52           HG2      ARG  52   6.210  -7.904   3.615
  319    HG3  ARG  52           HG1      ARG  52   6.775  -6.744   2.411
  320    HD2  ARG  52           HD2      ARG  52   7.235  -5.951   5.201
  321    HD3  ARG  52           HD1      ARG  52   8.110  -7.394   4.690
  322    HE   ARG  52           HE       ARG  52   8.323  -5.199   2.846
  323   HH11  ARG  52          HH11      ARG  52   9.655  -6.658   5.723
  324   HH12  ARG  52          HH12      ARG  52  11.214  -5.931   5.522
  325   HH21  ARG  52          HH21      ARG  52  10.372  -4.242   2.580
  326   HH22  ARG  52          HH22      ARG  52  11.621  -4.558   3.738
  327    H    PHE  53           HN       PHE  53   5.825  -6.037   0.526
  328    HA   PHE  53           HA       PHE  53   3.493  -5.700  -1.034
  329    HB2  PHE  53           HB2      PHE  53   5.901  -7.487  -1.355
  330    HB3  PHE  53           HB1      PHE  53   4.570  -7.490  -2.512
  331    HD1  PHE  53           HD1      PHE  53   3.885  -4.650  -2.609
  332    HD2  PHE  53           HD2      PHE  53   7.683  -6.555  -2.527
  333    HE1  PHE  53           HE1      PHE  53   4.855  -2.731  -3.768
  334    HE2  PHE  53           HE2      PHE  53   8.675  -4.626  -3.693
  335    HZ   PHE  53           HZ       PHE  53   7.261  -2.707  -4.318
  336    H    LYS  54           HN       LYS  54   1.759  -6.960  -1.389
  337    HA   LYS  54           HA       LYS  54   0.991  -8.827   0.567
  338    HB2  LYS  54           HB2      LYS  54  -0.130  -7.720  -1.885
  339    HB3  LYS  54           HB1      LYS  54  -0.579  -9.403  -1.650
  340    HG2  LYS  54           HG2      LYS  54  -1.802  -8.964   0.225
  341    HG3  LYS  54           HG1      LYS  54  -0.844  -7.544   0.651
  342    HD2  LYS  54           HD2      LYS  54  -2.070  -6.155  -0.666
  343    HD3  LYS  54           HD1      LYS  54  -2.396  -7.407  -1.867
  344    HE2  LYS  54           HE2      LYS  54  -3.781  -8.415   0.182
  345    HE3  LYS  54           HE1      LYS  54  -3.870  -6.706   0.605
  346    HZ1  LYS  54           HZ1      LYS  54  -4.970  -8.098  -1.737
  347    HZ2  LYS  54           HZ2      LYS  54  -4.559  -6.463  -1.872
  348    HZ3  LYS  54           HZ3      LYS  54  -5.701  -6.955  -0.726
  349    H    LYS  55           HN       LYS  55   2.225 -10.596   0.863
  350    HA   LYS  55           HA       LYS  55   3.856 -12.033  -0.625
  351    HB2  LYS  55           HB2      LYS  55   3.184 -12.677   1.650
  352    HB3  LYS  55           HB1      LYS  55   1.665 -13.303   1.024
  353    HG2  LYS  55           HG2      LYS  55   2.781 -15.041  -0.161
  354    HG3  LYS  55           HG1      LYS  55   4.361 -14.337   0.185
  355    HD2  LYS  55           HD2      LYS  55   3.836 -14.677   2.634
  356    HD3  LYS  55           HD1      LYS  55   2.447 -15.634   2.114
  357    HE2  LYS  55           HE2      LYS  55   5.048 -16.322   0.894
  358    HE3  LYS  55           HE1      LYS  55   4.871 -16.682   2.611
  359    HZ1  LYS  55           HZ1      LYS  55   4.113 -18.592   1.588
  360    HZ2  LYS  55           HZ2      LYS  55   3.347 -17.760   0.330
  361    HZ3  LYS  55           HZ3      LYS  55   2.669 -17.758   1.880
  362    H    ALA  56           HN       ALA  56   3.922 -13.057  -2.512
  363    HA   ALA  56           HA       ALA  56   2.049 -13.027  -4.449
  364    HB1  ALA  56           HB1      ALA  56   4.248 -14.960  -3.894
  365    HB2  ALA  56           HB2      ALA  56   4.083 -13.785  -5.199
  366    HB3  ALA  56           HB3      ALA  56   3.133 -15.272  -5.225
  367    H    GLY  57           HN       GLY  57   0.136 -13.912  -4.830
  368    HA2  GLY  57           HA2      GLY  57  -1.212 -15.983  -4.858
  369    HA3  GLY  57           HA1      GLY  57  -0.620 -16.289  -3.230
  370    H    THR  58           HN       THR  58  -0.950 -13.134  -3.094
  371    HA   THR  58           HA       THR  58  -3.523 -13.257  -1.796
  372    HB   THR  58           HB       THR  58  -1.622 -10.946  -2.274
  373    HG1  THR  58           HG1      THR  58  -0.940 -12.715  -0.861
  374   HG21  THR  58          HG21      THR  58  -3.005  -9.544  -1.275
  375   HG22  THR  58          HG22      THR  58  -3.388 -10.704  -0.001
  376   HG23  THR  58          HG23      THR  58  -4.267 -10.751  -1.531
  377    H    VAL  59           HN       VAL  59  -5.264 -13.325  -3.137
  378    HA   VAL  59           HA       VAL  59  -5.326 -12.208  -5.720
  379    HB   VAL  59           HB       VAL  59  -6.880 -13.990  -5.064
  380   HG11  VAL  59          HG11      VAL  59  -8.324 -13.889  -3.344
  381   HG12  VAL  59          HG12      VAL  59  -8.724 -12.198  -3.645
  382   HG13  VAL  59          HG13      VAL  59  -7.252 -12.614  -2.766
  383   HG21  VAL  59          HG21      VAL  59  -9.040 -12.378  -5.696
  384   HG22  VAL  59          HG22      VAL  59  -7.977 -13.202  -6.836
  385   HG23  VAL  59          HG23      VAL  59  -7.656 -11.529  -6.384
  386    H    CYS  60           HN       CYS  60  -5.318 -10.126  -6.243
  387    HA   CYS  60           HA       CYS  60  -6.456  -8.195  -4.340
  388    HB2  CYS  60           HB2      CYS  60  -4.777  -7.423  -6.703
  389    HB3  CYS  60           HB1      CYS  60  -5.025  -6.553  -5.194
  390    H    ARG  61           HN       ARG  61  -6.777  -9.500  -7.519
  391    HA   ARG  61           HA       ARG  61  -9.263  -8.060  -7.900
  392    HB2  ARG  61           HB2      ARG  61  -7.283  -7.944 -10.154
  393    HB3  ARG  61           HB1      ARG  61  -8.728  -6.976  -9.904
  394    HG2  ARG  61           HG2      ARG  61  -7.619  -5.836  -8.034
  395    HG3  ARG  61           HG1      ARG  61  -6.161  -6.779  -8.345
  396    HD2  ARG  61           HD2      ARG  61  -7.477  -4.877 -10.283
  397    HD3  ARG  61           HD1      ARG  61  -6.031  -4.538  -9.333
  398    HE   ARG  61           HE       ARG  61  -5.882  -6.862 -11.055
  399   HH11  ARG  61          HH11      ARG  61  -5.248  -3.445 -10.708
  400   HH12  ARG  61          HH12      ARG  61  -4.049  -3.417 -11.956
  401   HH21  ARG  61          HH21      ARG  61  -4.308  -6.821 -12.697
  402   HH22  ARG  61          HH22      ARG  61  -3.516  -5.331 -13.086
  403    H    ILE  62           HN       ILE  62 -10.011  -8.686 -10.316
  404    HA   ILE  62           HA       ILE  62  -9.280 -11.122 -11.416
  405    HB   ILE  62           HB       ILE  62 -10.077 -12.049  -9.267
  406   HG12  ILE  62          HG12      ILE  62 -10.122 -13.319 -11.423
  407   HG13  ILE  62          HG11      ILE  62 -11.263 -13.893 -10.215
  408   HG21  ILE  62          HG21      ILE  62 -12.215 -10.285  -9.624
  409   HG22  ILE  62          HG22      ILE  62 -11.979 -11.448  -8.318
  410   HG23  ILE  62          HG23      ILE  62 -12.894 -11.908  -9.755
  411   HD11  ILE  62          HD11      ILE  62 -12.778 -13.821 -11.827
  412   HD12  ILE  62          HD12      ILE  62 -11.722 -12.880 -12.880
  413   HD13  ILE  62          HD13      ILE  62 -12.720 -12.066 -11.675
  414    H    ALA  63           HN       ALA  63 -10.247 -11.395 -13.306
  415    HA   ALA  63           HA       ALA  63 -11.668  -9.326 -14.469
  416    HB1  ALA  63           HB1      ALA  63 -10.846 -10.472 -16.182
  417    HB2  ALA  63           HB2      ALA  63 -12.298 -11.462 -16.073
  418    HB3  ALA  63           HB3      ALA  63 -10.813 -11.980 -15.273
  419    H    ARG  64           HN       ARG  64 -13.439 -12.286 -15.007
  420    HA   ARG  64           HA       ARG  64 -15.588 -11.374 -13.240
  421    HB2  ARG  64           HB2      ARG  64 -15.756 -11.595 -16.228
  422    HB3  ARG  64           HB1      ARG  64 -17.187 -11.831 -15.234
  423    HG2  ARG  64           HG2      ARG  64 -15.467  -9.370 -15.089
  424    HG3  ARG  64           HG1      ARG  64 -16.870  -9.520 -16.149
  425    HD2  ARG  64           HD2      ARG  64 -18.362  -9.515 -14.403
  426    HD3  ARG  64           HD1      ARG  64 -17.184 -10.153 -13.256
  427    HE   ARG  64           HE       ARG  64 -16.295  -7.636 -13.975
  428   HH11  ARG  64          HH11      ARG  64 -19.102  -9.009 -12.422
  429   HH12  ARG  64          HH12      ARG  64 -19.410  -7.605 -11.457
  430   HH21  ARG  64          HH21      ARG  64 -16.699  -5.787 -12.707
  431   HH22  ARG  64          HH22      ARG  64 -18.046  -5.775 -11.619
  432    H    GLY  65           HN       GLY  65 -15.132 -13.264 -12.016
  433    HA2  GLY  65           HA2      GLY  65 -16.580 -15.343 -11.839
  434    HA3  GLY  65           HA1      GLY  65 -15.841 -15.787 -13.371
  435    H    ASP  66           HN       ASP  66 -13.986 -16.880 -13.357
  436    HA   ASP  66           HA       ASP  66 -11.948 -16.655 -11.480
  437    HB2  ASP  66           HB2      ASP  66 -12.234 -18.839 -10.270
  438    HB3  ASP  66           HB1      ASP  66 -13.412 -17.606  -9.831
  439    H    TRP  67           HN       TRP  67 -10.762 -16.753 -13.361
  440    HA   TRP  67           HA       TRP  67 -10.526 -19.426 -14.584
  441    HB2  TRP  67           HB2      TRP  67  -9.420 -17.515 -16.348
  442    HB3  TRP  67           HB1      TRP  67 -10.886 -18.459 -16.576
  443    HD1  TRP  67           HD1      TRP  67  -9.888 -15.090 -14.885
  444    HE1  TRP  67           HE1      TRP  67 -11.846 -13.467 -15.204
  445    HE3  TRP  67           HE3      TRP  67 -13.146 -18.205 -17.278
  446    HZ2  TRP  67           HZ2      TRP  67 -14.417 -13.487 -16.325
  447    HZ3  TRP  67           HZ3      TRP  67 -15.345 -17.321 -17.953
  448    HH2  TRP  67           HH2      TRP  67 -15.966 -15.004 -17.486
  449    H    ASN  68           HN       ASN  68  -8.673 -16.431 -14.541
  450    HA   ASN  68           HA       ASN  68  -6.250 -17.958 -13.888
  451    HB2  ASN  68           HB2      ASN  68  -6.212 -15.115 -14.847
  452    HB3  ASN  68           HB1      ASN  68  -4.991 -16.369 -15.043
  453   HD21  ASN  68          HD21      ASN  68  -8.233 -15.405 -16.058
  454   HD22  ASN  68          HD22      ASN  68  -8.158 -16.144 -17.618
  455    H    ASP  69           HN       ASP  69  -8.294 -15.291 -12.945
  456    HA   ASP  69           HA       ASP  69  -8.463 -14.072 -11.038
  457    HB2  ASP  69           HB2      ASP  69  -6.974 -16.489 -10.087
  458    HB3  ASP  69           HB1      ASP  69  -7.216 -15.129  -8.996
  459    H    ASP  70           HN       ASP  70  -7.458 -12.373 -10.025
  460    HA   ASP  70           HA       ASP  70  -4.778 -11.789 -10.977
  461    HB2  ASP  70           HB2      ASP  70  -6.724 -10.114 -11.023
  462    HB3  ASP  70           HB1      ASP  70  -6.495  -9.989  -9.284
  463    H    TYR  71           HN       TYR  71  -3.028 -12.181  -9.791
  464    HA   TYR  71           HA       TYR  71  -3.333 -12.189  -6.868
  465    HB2  TYR  71           HB2      TYR  71  -2.160 -14.290  -8.636
  466    HB3  TYR  71           HB1      TYR  71  -1.593 -14.103  -6.977
  467    HD1  TYR  71           HD1      TYR  71  -3.299 -14.158  -5.142
  468    HD2  TYR  71           HD2      TYR  71  -4.125 -15.459  -9.086
  469    HE1  TYR  71           HE1      TYR  71  -5.208 -15.433  -4.291
  470    HE2  TYR  71           HE2      TYR  71  -6.053 -16.736  -8.276
  471    HH   TYR  71           HH       TYR  71  -6.868 -17.742  -6.212
  472    H    CYS  72           HN       CYS  72  -1.632 -11.600  -5.639
  473    HA   CYS  72           HA       CYS  72   0.217  -9.779  -6.792
  474    HB2  CYS  72           HB2      CYS  72  -0.789  -9.809  -4.405
  475    HB3  CYS  72           HB1      CYS  72   0.503 -10.950  -4.040
  476    H    THR  73           HN       THR  73   2.594  -9.941  -6.409
  477    HA   THR  73           HA       THR  73   3.518 -12.712  -6.781
  478    HB   THR  73           HB       THR  73   4.991 -12.054  -8.471
  479    HG1  THR  73           HG1      THR  73   6.048 -10.287  -8.131
  480   HG21  THR  73          HG21      THR  73   3.040  -9.967  -9.194
  481   HG22  THR  73          HG22      THR  73   2.393 -11.584  -8.907
  482   HG23  THR  73          HG23      THR  73   3.644 -11.337 -10.128
  483    H    GLY  74           HN       GLY  74   3.489 -10.362  -4.581
  484    HA2  GLY  74           HA2      GLY  74   4.800  -9.802  -2.788
  485    HA3  GLY  74           HA1      GLY  74   5.545 -11.376  -3.011
  486    H    LYS  75           HN       LYS  75   5.677  -8.953  -5.515
  487    HA   LYS  75           HA       LYS  75   8.335  -8.094  -4.711
  488    HB2  LYS  75           HB2      LYS  75   7.861  -9.487  -7.350
  489    HB3  LYS  75           HB1      LYS  75   9.366  -8.738  -6.837
  490    HG2  LYS  75           HG2      LYS  75   9.287 -10.363  -4.864
  491    HG3  LYS  75           HG1      LYS  75   8.062 -11.225  -5.797
  492    HD2  LYS  75           HD2      LYS  75   9.997 -10.854  -7.670
  493    HD3  LYS  75           HD1      LYS  75  10.965 -11.031  -6.205
  494    HE2  LYS  75           HE2      LYS  75  10.762 -13.219  -6.921
  495    HE3  LYS  75           HE1      LYS  75   9.445 -13.085  -5.756
  496    HZ1  LYS  75           HZ1      LYS  75   8.058 -12.459  -7.813
  497    HZ2  LYS  75           HZ2      LYS  75   8.447 -14.086  -7.562
  498    HZ3  LYS  75           HZ3      LYS  75   9.310 -13.176  -8.698
  499    H    SER  76           HN       SER  76   5.533  -7.012  -5.380
  500    HA   SER  76           HA       SER  76   6.437  -4.579  -6.534
  501    HB2  SER  76           HB2      SER  76   5.061  -6.564  -8.290
  502    HB3  SER  76           HB1      SER  76   4.677  -4.855  -8.497
  503    HG   SER  76           HG       SER  76   6.944  -4.489  -8.750
  504    H    SER  77           HN       SER  77   4.679  -3.001  -6.812
  505    HA   SER  77           HA       SER  77   2.670  -3.362  -4.738
  506    HB2  SER  77           HB2      SER  77   2.223  -0.920  -5.169
  507    HB3  SER  77           HB1      SER  77   3.874  -1.281  -4.665
  508    HG   SER  77           HG       SER  77   4.600  -0.790  -6.616
  509    H    ASP  78           HN       ASP  78   2.697  -4.409  -7.714
  510    HA   ASP  78           HA       ASP  78  -0.083  -3.599  -8.264
  511    HB2  ASP  78           HB2      ASP  78   2.265  -3.896 -10.069
  512    HB3  ASP  78           HB1      ASP  78   0.698  -4.404 -10.693
  513    H    CYS  79           HN       CYS  79  -1.510  -5.172  -8.981
  514    HA   CYS  79           HA       CYS  79  -0.627  -7.955  -8.555
  515    HB2  CYS  79           HB2      CYS  79  -2.599  -6.504  -7.216
  516    HB3  CYS  79           HB1      CYS  79  -3.494  -7.537  -8.325
  517    HA   PRO  80           HA       PRO  80  -1.784  -8.061 -12.953
  518    HB2  PRO  80           HB2      PRO  80  -0.648 -10.463 -13.475
  519    HB3  PRO  80           HB1      PRO  80   0.290  -8.969 -13.361
  520    HG2  PRO  80           HG2      PRO  80  -0.126 -11.104 -11.300
  521    HG3  PRO  80           HG1      PRO  80   1.373 -10.276 -11.763
  522    HD2  PRO  80           HD2      PRO  80  -0.039  -9.583  -9.566
  523    HD3  PRO  80           HD1      PRO  80   0.865  -8.396 -10.526
  524    H    TRP  81           HN       TRP  81  -3.538  -8.890 -13.929
  525    HA   TRP  81           HA       TRP  81  -5.447 -10.435 -12.510
  526    HB2  TRP  81           HB2      TRP  81  -5.710 -10.478 -15.433
  527    HB3  TRP  81           HB1      TRP  81  -6.860  -9.964 -14.209
  528    HD1  TRP  81           HD1      TRP  81  -4.105  -8.628 -16.492
  529    HE1  TRP  81           HE1      TRP  81  -4.272  -6.059 -16.544
  530    HE3  TRP  81           HE3      TRP  81  -7.572  -7.989 -12.822
  531    HZ2  TRP  81           HZ2      TRP  81  -5.701  -4.036 -15.201
  532    HZ3  TRP  81           HZ3      TRP  81  -8.303  -5.702 -12.258
  533    HH2  TRP  81           HH2      TRP  81  -7.380  -3.763 -13.425
  534    H    ASN  82           HN       ASN  82  -2.720 -11.341 -14.299
  535    HA   ASN  82           HA       ASN  82  -1.829 -13.382 -14.810
  536    HB2  ASN  82           HB2      ASN  82  -4.322 -14.519 -13.510
  537    HB3  ASN  82           HB1      ASN  82  -2.898 -15.441 -13.980
  538   HD21  ASN  82          HD21      ASN  82  -1.478 -15.816 -12.450
  539   HD22  ASN  82          HD22      ASN  82  -1.274 -14.900 -11.000
  540    H    HIS  83           HN       HIS  83  -3.705 -11.803 -16.440
  541    HA   HIS  83           HA       HIS  83  -4.960 -13.852 -18.112
  542    HB2  HIS  83           HB2      HIS  83  -5.254 -10.835 -18.144
  543    HB3  HIS  83           HB1      HIS  83  -6.158 -11.964 -19.154
  544    HD1  HIS  83           HD1      HIS  83  -7.501 -10.011 -17.097
  545    HD2  HIS  83           HD2      HIS  83  -6.610 -14.005 -16.396
  546    HE1  HIS  83           HE1      HIS  83  -9.017 -10.721 -15.221
  547    HE2  HIS  83           HE2      HIS  83  -8.541 -13.171 -14.892
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1  -7.923  13.148  19.432
    2    H2   SER   1           HT2      SER   1  -7.674  14.681  18.702
    3    H3   SER   1           HT3      SER   1  -6.820  14.259  20.129
    4    HA   SER   1           HA       SER   1  -5.579  12.646  19.027
    5    HB2  SER   1           HB2      SER   1  -7.575  13.164  16.832
    6    HB3  SER   1           HB1      SER   1  -6.010  12.430  16.480
    7    HG   SER   1           HG       SER   1  -8.189  11.252  17.406
    8    HA   PRO   2           HA       PRO   2  -2.969  15.857  17.466
    9    HB2  PRO   2           HB2      PRO   2  -1.309  14.160  15.884
   10    HB3  PRO   2           HB1      PRO   2  -1.051  14.663  17.554
   11    HG2  PRO   2           HG2      PRO   2  -1.596  12.070  16.728
   12    HG3  PRO   2           HG1      PRO   2  -1.802  12.684  18.377
   13    HD2  PRO   2           HD2      PRO   2  -3.843  12.278  16.232
   14    HD3  PRO   2           HD1      PRO   2  -3.982  12.033  17.988
   15    HA   PRO   3           HA       PRO   3  -3.936  16.875  13.257
   16    HB2  PRO   3           HB2      PRO   3  -2.180  18.793  12.739
   17    HB3  PRO   3           HB1      PRO   3  -3.376  18.991  14.025
   18    HG2  PRO   3           HG2      PRO   3  -0.473  18.344  14.219
   19    HG3  PRO   3           HG1      PRO   3  -1.479  19.329  15.294
   20    HD2  PRO   3           HD2      PRO   3  -0.745  16.642  15.693
   21    HD3  PRO   3           HD1      PRO   3  -2.000  17.532  16.578
   22    H    VAL   4           HN       VAL   4  -3.684  15.928  11.359
   23    HA   VAL   4           HA       VAL   4  -1.654  14.247  10.680
   24    HB   VAL   4           HB       VAL   4  -3.512  14.005   9.328
   25   HG11  VAL   4          HG11      VAL   4  -4.465  16.068   8.073
   26   HG12  VAL   4          HG12      VAL   4  -3.615  16.990   9.312
   27   HG13  VAL   4          HG13      VAL   4  -4.858  15.828   9.775
   28   HG21  VAL   4          HG21      VAL   4  -2.113  15.835   7.467
   29   HG22  VAL   4          HG22      VAL   4  -2.769  14.229   7.174
   30   HG23  VAL   4          HG23      VAL   4  -1.262  14.423   8.070
   31    H    CYS   5           HN       CYS   5   0.352  14.931  10.903
   32    HA   CYS   5           HA       CYS   5   1.299  17.494  10.184
   33    HB2  CYS   5           HB2      CYS   5   3.122  15.114  10.210
   34    HB3  CYS   5           HB1      CYS   5   3.433  16.749  10.776
   35    H    GLY   6           HN       GLY   6   0.813  18.081   8.151
   36    HA2  GLY   6           HA2      GLY   6   1.886  18.254   5.961
   37    HA3  GLY   6           HA1      GLY   6   2.029  16.502   5.972
   38    H    ASN   7           HN       ASN   7  -0.909  17.682   7.246
   39    HA   ASN   7           HA       ASN   7  -3.070  17.585   6.561
   40    HB2  ASN   7           HB2      ASN   7  -1.622  18.608   4.179
   41    HB3  ASN   7           HB1      ASN   7  -3.227  17.946   3.869
   42   HD21  ASN   7          HD21      ASN   7  -1.475  20.236   5.912
   43   HD22  ASN   7          HD22      ASN   7  -2.787  21.345   6.099
   44    H    LYS   8           HN       LYS   8  -4.450  15.940   6.146
   45    HA   LYS   8           HA       LYS   8  -3.682  13.366   5.754
   46    HB2  LYS   8           HB2      LYS   8  -6.049  14.397   6.212
   47    HB3  LYS   8           HB1      LYS   8  -6.238  14.263   4.469
   48    HG2  LYS   8           HG2      LYS   8  -5.677  12.020   6.397
   49    HG3  LYS   8           HG1      LYS   8  -7.187  12.330   5.538
   50    HD2  LYS   8           HD2      LYS   8  -5.622  12.169   3.422
   51    HD3  LYS   8           HD1      LYS   8  -4.605  11.236   4.522
   52    HE2  LYS   8           HE2      LYS   8  -6.065   9.506   4.619
   53    HE3  LYS   8           HE1      LYS   8  -7.479  10.551   4.487
   54    HZ1  LYS   8           HZ1      LYS   8  -6.946  10.827   2.111
   55    HZ2  LYS   8           HZ2      LYS   8  -7.287   9.222   2.520
   56    HZ3  LYS   8           HZ3      LYS   8  -5.686   9.709   2.274
   57    H    ILE   9           HN       ILE   9  -2.171  12.905   4.239
   58    HA   ILE   9           HA       ILE   9  -1.822  13.966   1.766
   59    HB   ILE   9           HB       ILE   9  -0.896  11.784   0.977
   60   HG12  ILE   9          HG12      ILE   9  -0.538  10.086   2.829
   61   HG13  ILE   9          HG11      ILE   9  -1.848  10.890   3.693
   62   HG21  ILE   9          HG21      ILE   9  -0.019  12.986   3.581
   63   HG22  ILE   9          HG22      ILE   9   0.574  13.334   1.957
   64   HG23  ILE   9          HG23      ILE   9   0.928  11.780   2.711
   65   HD11  ILE   9          HD11      ILE   9  -3.380   9.825   2.493
   66   HD12  ILE   9          HD12      ILE   9  -2.071   8.829   1.860
   67   HD13  ILE   9          HD13      ILE   9  -2.594  10.260   0.976
   68    H    LEU  10           HN       LEU  10  -2.656  13.892  -0.194
   69    HA   LEU  10           HA       LEU  10  -5.189  12.476  -0.482
   70    HB2  LEU  10           HB2      LEU  10  -5.533  14.039  -2.418
   71    HB3  LEU  10           HB1      LEU  10  -5.440  14.797  -0.839
   72    HG   LEU  10           HG       LEU  10  -4.228  15.885  -2.854
   73   HD11  LEU  10          HD11      LEU  10  -2.190  16.187  -1.056
   74   HD12  LEU  10          HD12      LEU  10  -3.532  15.669  -0.035
   75   HD13  LEU  10          HD13      LEU  10  -3.702  17.094  -1.061
   76   HD21  LEU  10          HD21      LEU  10  -1.929  15.186  -3.175
   77   HD22  LEU  10          HD22      LEU  10  -3.034  13.876  -3.587
   78   HD23  LEU  10          HD23      LEU  10  -2.161  13.843  -2.056
   79    H    GLU  11           HN       GLU  11  -2.233  11.653  -0.982
   80    HA   GLU  11           HA       GLU  11  -2.684   9.628  -2.807
   81    HB2  GLU  11           HB2      GLU  11  -1.558  10.398  -4.831
   82    HB3  GLU  11           HB1      GLU  11  -2.960  11.399  -4.485
   83    HG2  GLU  11           HG2      GLU  11  -1.610  13.136  -4.769
   84    HG3  GLU  11           HG1      GLU  11  -0.927  12.722  -3.197
   85    H    GLN  12           HN       GLN  12  -1.222  10.086  -0.365
   86    HA   GLN  12           HA       GLN  12   1.152   8.682  -1.019
   87    HB2  GLN  12           HB2      GLN  12   2.723  10.462  -0.062
   88    HB3  GLN  12           HB1      GLN  12   2.145  10.684  -1.706
   89    HG2  GLN  12           HG2      GLN  12   0.271  12.052  -0.329
   90    HG3  GLN  12           HG1      GLN  12   1.683  12.289   0.702
   91   HE21  GLN  12          HE21      GLN  12   3.680  12.341  -1.198
   92   HE22  GLN  12          HE22      GLN  12   3.493  13.747  -2.183
   93    H    GLY  13           HN       GLY  13  -0.455   7.622   0.619
   94    HA2  GLY  13           HA2      GLY  13  -0.642   8.365   3.286
   95    HA3  GLY  13           HA1      GLY  13  -0.644   6.704   2.720
   96    H    GLU  14           HN       GLU  14   1.992   6.809   1.611
   97    HA   GLU  14           HA       GLU  14   3.691   7.140   3.992
   98    HB2  GLU  14           HB2      GLU  14   2.982   4.679   2.684
   99    HB3  GLU  14           HB1      GLU  14   4.705   4.968   2.483
  100    HG2  GLU  14           HG2      GLU  14   4.912   5.244   4.920
  101    HG3  GLU  14           HG1      GLU  14   3.198   4.865   5.085
  102    H    ASP  15           HN       ASP  15   3.212   7.341   0.593
  103    HA   ASP  15           HA       ASP  15   5.748   7.604  -0.438
  104    HB2  ASP  15           HB2      ASP  15   4.029   7.699  -2.010
  105    HB3  ASP  15           HB1      ASP  15   3.090   8.843  -1.060
  106    H    CYS  16           HN       CYS  16   3.915   9.729   1.612
  107    HA   CYS  16           HA       CYS  16   5.996  11.057   2.724
  108    HB2  CYS  16           HB2      CYS  16   6.794  12.186   0.908
  109    HB3  CYS  16           HB1      CYS  16   5.221  12.244   0.121
  110    H    ASP  17           HN       ASP  17   5.211  11.850   4.511
  111    HA   ASP  17           HA       ASP  17   3.894  12.944   6.004
  112    HB2  ASP  17           HB2      ASP  17   2.073  13.638   3.694
  113    HB3  ASP  17           HB1      ASP  17   2.083  14.380   5.289
  114    H    CYS  18           HN       CYS  18   3.484  10.896   6.910
  115    HA   CYS  18           HA       CYS  18   1.823   8.906   6.308
  116    HB2  CYS  18           HB2      CYS  18   3.074   9.114   8.459
  117    HB3  CYS  18           HB1      CYS  18   1.817  10.202   9.044
  118    H    GLY  19           HN       GLY  19   0.727  12.003   7.664
  119    HA2  GLY  19           HA2      GLY  19  -1.326  13.033   7.361
  120    HA3  GLY  19           HA1      GLY  19  -1.868  11.646   6.430
  121    H    SER  20           HN       SER  20  -0.824   9.993   8.845
  122    HA   SER  20           HA       SER  20  -3.299  10.263  10.341
  123    HB2  SER  20           HB2      SER  20  -1.699   8.007  11.140
  124    HB3  SER  20           HB1      SER  20  -3.337   8.044  10.493
  125    HG   SER  20           HG       SER  20  -2.288   8.292   8.382
  126    HA   PRO  21           HA       PRO  21  -0.510  12.647  13.030
  127    HB2  PRO  21           HB2      PRO  21  -2.771  13.005  14.744
  128    HB3  PRO  21           HB1      PRO  21  -2.007  14.189  13.690
  129    HG2  PRO  21           HG2      PRO  21  -4.443  12.608  13.269
  130    HG3  PRO  21           HG1      PRO  21  -3.929  14.110  12.487
  131    HD2  PRO  21           HD2      PRO  21  -3.957  11.692  11.236
  132    HD3  PRO  21           HD1      PRO  21  -2.841  12.993  10.799
  133    H    ALA  22           HN       ALA  22  -2.882  10.175  13.969
  134    HA   ALA  22           HA       ALA  22  -2.095   9.630  16.550
  135    HB1  ALA  22           HB1      ALA  22  -3.320   7.730  16.374
  136    HB2  ALA  22           HB2      ALA  22  -2.571   7.258  14.848
  137    HB3  ALA  22           HB3      ALA  22  -3.842   8.481  14.866
  138    H    ASN  23           HN       ASN  23  -0.467   8.961  13.568
  139    HA   ASN  23           HA       ASN  23   1.865   7.999  15.056
  140    HB2  ASN  23           HB2      ASN  23   0.512   6.679  12.722
  141    HB3  ASN  23           HB1      ASN  23   2.249   6.499  12.946
  142   HD21  ASN  23          HD21      ASN  23   1.492   4.211  13.086
  143   HD22  ASN  23          HD22      ASN  23   1.075   3.610  14.651
  144    H    CYS  24           HN       CYS  24   1.631  10.577  14.394
  145    HA   CYS  24           HA       CYS  24   2.252  11.545  11.932
  146    HB2  CYS  24           HB2      CYS  24   1.878  13.011  13.829
  147    HB3  CYS  24           HB1      CYS  24   3.377  12.474  14.579
  148    H    GLN  25           HN       GLN  25   4.318   9.709  14.017
  149    HA   GLN  25           HA       GLN  25   6.223   9.303  11.924
  150    HB2  GLN  25           HB2      GLN  25   8.163  10.093  13.412
  151    HB3  GLN  25           HB1      GLN  25   7.231  11.321  12.568
  152    HG2  GLN  25           HG2      GLN  25   6.242  12.091  14.492
  153    HG3  GLN  25           HG1      GLN  25   6.469  10.566  15.347
  154   HE21  GLN  25          HE21      GLN  25   7.096  12.892  16.585
  155   HE22  GLN  25          HE22      GLN  25   8.809  13.041  16.750
  156    H    ASP  26           HN       ASP  26   4.456   7.761  13.635
  157    HA   ASP  26           HA       ASP  26   5.910   6.436  15.666
  158    HB2  ASP  26           HB2      ASP  26   3.444   6.426  15.538
  159    HB3  ASP  26           HB1      ASP  26   3.531   5.444  14.079
  160    H    ARG  27           HN       ARG  27   4.779   4.981  12.610
  161    HA   ARG  27           HA       ARG  27   7.395   3.976  11.984
  162    HB2  ARG  27           HB2      ARG  27   7.030   1.663  12.295
  163    HB3  ARG  27           HB1      ARG  27   6.502   2.425  13.789
  164    HG2  ARG  27           HG2      ARG  27   4.165   2.384  12.498
  165    HG3  ARG  27           HG1      ARG  27   4.936   0.997  11.724
  166    HD2  ARG  27           HD2      ARG  27   5.330   0.986  14.595
  167    HD3  ARG  27           HD1      ARG  27   3.619   1.028  14.173
  168    HE   ARG  27           HE       ARG  27   3.795  -1.109  13.359
  169   HH11  ARG  27          HH11      ARG  27   6.997   0.191  13.853
  170   HH12  ARG  27          HH12      ARG  27   7.789  -1.323  13.577
  171   HH21  ARG  27          HH21      ARG  27   4.837  -3.101  12.997
  172   HH22  ARG  27          HH22      ARG  27   6.564  -3.192  13.091
  173    H    CYS  28           HN       CYS  28   7.433   2.731   9.994
  174    HA   CYS  28           HA       CYS  28   6.879   2.322   7.839
  175    HB2  CYS  28           HB2      CYS  28   4.259   2.240   9.208
  176    HB3  CYS  28           HB1      CYS  28   4.212   2.449   7.461
  177    H    CYS  29           HN       CYS  29   4.533   4.803   8.922
  178    HA   CYS  29           HA       CYS  29   5.210   6.346   6.519
  179    HB2  CYS  29           HB2      CYS  29   3.110   7.604   7.050
  180    HB3  CYS  29           HB1      CYS  29   2.863   5.896   6.706
  181    H    ASN  30           HN       ASN  30   5.831   8.434   6.557
  182    HA   ASN  30           HA       ASN  30   6.624   9.520   9.175
  183    HB2  ASN  30           HB2      ASN  30   7.944   9.593   6.488
  184    HB3  ASN  30           HB1      ASN  30   8.220  10.897   7.624
  185   HD21  ASN  30          HD21      ASN  30   8.151   9.397   9.993
  186   HD22  ASN  30          HD22      ASN  30   9.548   8.387  10.034
  187    H    ALA  31           HN       ALA  31   4.896  10.692   9.659
  188    HA   ALA  31           HA       ALA  31   3.690  12.510   7.761
  189    HB1  ALA  31           HB1      ALA  31   2.905  13.078  10.457
  190    HB2  ALA  31           HB2      ALA  31   2.891  11.334  10.204
  191    HB3  ALA  31           HB3      ALA  31   1.942  12.382   9.152
  192    H    ALA  32           HN       ALA  32   6.167  12.461  10.116
  193    HA   ALA  32           HA       ALA  32   6.426  15.391  10.071
  194    HB1  ALA  32           HB1      ALA  32   7.983  15.073  11.958
  195    HB2  ALA  32           HB2      ALA  32   7.699  13.334  11.874
  196    HB3  ALA  32           HB3      ALA  32   6.377  14.426  12.292
  197    H    THR  33           HN       THR  33   7.419  12.898   8.243
  198    HA   THR  33           HA       THR  33   9.996  14.182   7.685
  199    HB   THR  33           HB       THR  33  10.110  11.347   7.159
  200    HG1  THR  33           HG1      THR  33  10.157  10.840   9.485
  201   HG21  THR  33          HG21      THR  33  11.967  13.090   7.592
  202   HG22  THR  33          HG22      THR  33  12.151  11.440   8.187
  203   HG23  THR  33          HG23      THR  33  11.654  12.725   9.288
  204    H    CYS  34           HN       CYS  34   7.095  13.696   6.440
  205    HA   CYS  34           HA       CYS  34   6.199  13.439   4.358
  206    HB2  CYS  34           HB2      CYS  34   7.178  15.593   4.056
  207    HB3  CYS  34           HB1      CYS  34   8.775  14.906   3.804
  208    H    LYS  35           HN       LYS  35   7.148  10.977   5.010
  209    HA   LYS  35           HA       LYS  35   7.610   9.841   2.467
  210    HB2  LYS  35           HB2      LYS  35   9.937  10.813   3.636
  211    HB3  LYS  35           HB1      LYS  35   9.983   9.079   3.921
  212    HG2  LYS  35           HG2      LYS  35  10.964   9.077   1.894
  213    HG3  LYS  35           HG1      LYS  35   9.288   9.067   1.341
  214    HD2  LYS  35           HD2      LYS  35   9.437  11.138   0.489
  215    HD3  LYS  35           HD1      LYS  35  10.343  11.743   1.878
  216    HE2  LYS  35           HE2      LYS  35  12.381  10.742   0.997
  217    HE3  LYS  35           HE1      LYS  35  11.484  10.103  -0.379
  218    HZ1  LYS  35           HZ1      LYS  35  11.928  12.967   0.267
  219    HZ2  LYS  35           HZ2      LYS  35  10.947  12.412  -0.994
  220    HZ3  LYS  35           HZ3      LYS  35  12.610  12.104  -1.019
  221    H    LEU  36           HN       LEU  36   8.565   7.513   2.739
  222    HA   LEU  36           HA       LEU  36   6.987   6.226   4.852
  223    HB2  LEU  36           HB2      LEU  36   6.775   4.341   3.493
  224    HB3  LEU  36           HB1      LEU  36   6.637   5.677   2.369
  225    HG   LEU  36           HG       LEU  36   9.108   3.991   2.793
  226   HD11  LEU  36          HD11      LEU  36   6.791   3.770   1.009
  227   HD12  LEU  36          HD12      LEU  36   7.956   2.548   1.519
  228   HD13  LEU  36          HD13      LEU  36   8.358   3.656   0.208
  229   HD21  LEU  36          HD21      LEU  36   9.864   6.121   2.153
  230   HD22  LEU  36          HD22      LEU  36   8.526   6.350   1.027
  231   HD23  LEU  36          HD23      LEU  36   9.803   5.190   0.656
  232    H    THR  37           HN       THR  37   8.115   5.709   6.596
  233    HA   THR  37           HA       THR  37  10.845   5.783   6.890
  234    HB   THR  37           HB       THR  37  10.488   4.374   8.936
  235    HG1  THR  37           HG1      THR  37   8.743   3.140   8.120
  236   HG21  THR  37          HG21      THR  37  10.212   6.787   9.044
  237   HG22  THR  37          HG22      THR  37   9.085   5.948  10.110
  238   HG23  THR  37          HG23      THR  37   8.520   6.614   8.576
  239    HA   PRO  38           HA       PRO  38  13.044   2.331   5.329
  240    HB2  PRO  38           HB2      PRO  38  13.587   1.747   8.221
  241    HB3  PRO  38           HB1      PRO  38  14.710   1.752   6.853
  242    HG2  PRO  38           HG2      PRO  38  14.648   3.811   8.504
  243    HG3  PRO  38           HG1      PRO  38  14.768   4.083   6.754
  244    HD2  PRO  38           HD2      PRO  38  12.439   4.445   8.574
  245    HD3  PRO  38           HD1      PRO  38  12.882   5.347   7.111
  246    H    GLY  39           HN       GLY  39  12.764   0.166   4.934
  247    HA2  GLY  39           HA2      GLY  39  12.001  -2.021   5.347
  248    HA3  GLY  39           HA1      GLY  39  11.087  -1.419   6.721
  249    H    SER  40           HN       SER  40  10.018   0.788   4.938
  250    HA   SER  40           HA       SER  40   7.656  -0.599   4.126
  251    HB2  SER  40           HB2      SER  40   7.800   1.789   5.030
  252    HB3  SER  40           HB1      SER  40   8.366   2.250   3.426
  253    HG   SER  40           HG       SER  40   5.970   0.801   3.810
  254    H    GLN  41           HN       GLN  41   7.779  -1.898   2.391
  255    HA   GLN  41           HA       GLN  41   9.480  -1.366   0.158
  256    HB2  GLN  41           HB2      GLN  41   7.216  -3.345   0.496
  257    HB3  GLN  41           HB1      GLN  41   8.310  -3.309  -0.879
  258    HG2  GLN  41           HG2      GLN  41  10.049  -3.406   1.220
  259    HG3  GLN  41           HG1      GLN  41   8.700  -4.376   1.811
  260   HE21  GLN  41          HE21      GLN  41  10.138  -3.940  -1.402
  261   HE22  GLN  41          HE22      GLN  41  10.447  -5.617  -1.680
  262    H    CYS  42           HN       CYS  42   6.150  -0.748   0.956
  263    HA   CYS  42           HA       CYS  42   5.908   0.967  -1.376
  264    HB2  CYS  42           HB2      CYS  42   5.059  -1.194  -2.171
  265    HB3  CYS  42           HB1      CYS  42   3.937  -1.258  -0.817
  266    H    ASN  43           HN       ASN  43   4.606   2.700  -1.037
  267    HA   ASN  43           HA       ASN  43   3.879   3.275   1.659
  268    HB2  ASN  43           HB2      ASN  43   2.926   5.388   0.634
  269    HB3  ASN  43           HB1      ASN  43   4.639   5.109   0.341
  270   HD21  ASN  43          HD21      ASN  43   2.053   6.288  -1.076
  271   HD22  ASN  43          HD22      ASN  43   2.328   5.834  -2.720
  272    H    TYR  44           HN       TYR  44   2.143   2.378  -1.252
  273    HA   TYR  44           HA       TYR  44  -0.010   1.232   0.119
  274    HB2  TYR  44           HB2      TYR  44  -1.790   2.785  -0.167
  275    HB3  TYR  44           HB1      TYR  44  -0.475   3.683   0.581
  276    HD1  TYR  44           HD1      TYR  44  -1.942   2.933  -2.769
  277    HD2  TYR  44           HD2      TYR  44   0.187   5.708  -0.343
  278    HE1  TYR  44           HE1      TYR  44  -2.062   4.593  -4.573
  279    HE2  TYR  44           HE2      TYR  44   0.074   7.378  -2.140
  280    HH   TYR  44           HH       TYR  44  -0.845   6.604  -5.314
  281    H    GLY  45           HN       GLY  45  -1.783   0.578  -1.378
  282    HA2  GLY  45           HA2      GLY  45  -2.249   0.775  -3.925
  283    HA3  GLY  45           HA1      GLY  45  -0.633   0.094  -4.036
  284    H    GLU  46           HN       GLU  46  -2.177  -1.438  -5.295
  285    HA   GLU  46           HA       GLU  46  -3.891  -3.196  -3.968
  286    HB2  GLU  46           HB2      GLU  46  -2.244  -3.443  -6.470
  287    HB3  GLU  46           HB1      GLU  46  -3.234  -4.778  -5.898
  288    HG2  GLU  46           HG2      GLU  46  -4.341  -3.403  -7.616
  289    HG3  GLU  46           HG1      GLU  46  -5.229  -3.469  -6.094
  290    H    CYS  47           HN       CYS  47  -0.421  -3.483  -4.636
  291    HA   CYS  47           HA       CYS  47  -0.301  -5.874  -2.935
  292    HB2  CYS  47           HB2      CYS  47   1.478  -4.734  -5.063
  293    HB3  CYS  47           HB1      CYS  47   2.130  -5.864  -3.884
  294    H    CYS  48           HN       CYS  48  -0.634  -3.272  -1.711
  295    HA   CYS  48           HA       CYS  48   1.941  -3.134  -0.292
  296    HB2  CYS  48           HB2      CYS  48   0.210  -0.715  -0.737
  297    HB3  CYS  48           HB1      CYS  48   1.896  -0.779  -0.233
  298    H    ASP  49           HN       ASP  49   1.720  -3.738   1.724
  299    HA   ASP  49           HA       ASP  49  -0.568  -2.790   3.276
  300    HB2  ASP  49           HB2      ASP  49  -0.784  -5.250   2.320
  301    HB3  ASP  49           HB1      ASP  49   0.273  -5.630   3.676
  302    H    GLN  50           HN       GLN  50   0.093  -1.951   5.136
  303    HA   GLN  50           HA       GLN  50   1.356  -1.427   6.953
  304    HB2  GLN  50           HB2      GLN  50   1.140  -3.770   7.555
  305    HB3  GLN  50           HB1      GLN  50   2.474  -4.200   6.496
  306    HG2  GLN  50           HG2      GLN  50   4.030  -3.005   7.888
  307    HG3  GLN  50           HG1      GLN  50   2.715  -2.406   8.899
  308   HE21  GLN  50          HE21      GLN  50   5.086  -4.044   9.539
  309   HE22  GLN  50          HE22      GLN  50   4.470  -5.466  10.303
  310    H    CYS  51           HN       CYS  51   3.832  -3.417   5.370
  311    HA   CYS  51           HA       CYS  51   5.187  -1.173   4.227
  312    HB2  CYS  51           HB2      CYS  51   5.935  -2.134   6.924
  313    HB3  CYS  51           HB1      CYS  51   7.269  -1.868   5.806
  314    H    ARG  52           HN       ARG  52   4.281  -3.670   3.252
  315    HA   ARG  52           HA       ARG  52   6.702  -4.591   2.013
  316    HB2  ARG  52           HB2      ARG  52   6.164  -5.860   4.341
  317    HB3  ARG  52           HB1      ARG  52   5.234  -6.854   3.227
  318    HG2  ARG  52           HG2      ARG  52   7.105  -7.957   2.796
  319    HG3  ARG  52           HG1      ARG  52   7.685  -6.511   1.968
  320    HD2  ARG  52           HD2      ARG  52   8.132  -5.990   4.658
  321    HD3  ARG  52           HD1      ARG  52   8.550  -7.692   4.471
  322    HE   ARG  52           HE       ARG  52   9.686  -5.992   2.451
  323   HH11  ARG  52          HH11      ARG  52  10.111  -7.308   5.655
  324   HH12  ARG  52          HH12      ARG  52  11.833  -7.130   5.635
  325   HH21  ARG  52          HH21      ARG  52  11.952  -5.758   2.423
  326   HH22  ARG  52          HH22      ARG  52  12.878  -6.250   3.801
  327    H    PHE  53           HN       PHE  53   6.295  -6.080   0.242
  328    HA   PHE  53           HA       PHE  53   3.866  -5.459  -1.110
  329    HB2  PHE  53           HB2      PHE  53   6.184  -7.266  -1.771
  330    HB3  PHE  53           HB1      PHE  53   4.756  -7.182  -2.800
  331    HD1  PHE  53           HD2      PHE  53   4.139  -4.298  -2.621
  332    HD2  PHE  53           HD1      PHE  53   7.853  -6.312  -3.090
  333    HE1  PHE  53           HE2      PHE  53   5.047  -2.331  -3.752
  334    HE2  PHE  53           HE1      PHE  53   8.779  -4.335  -4.228
  335    HZ   PHE  53           HZ       PHE  53   7.376  -2.338  -4.563
  336    H    LYS  54           HN       LYS  54   2.066  -6.660  -1.441
  337    HA   LYS  54           HA       LYS  54   1.330  -8.587   0.443
  338    HB2  LYS  54           HB2      LYS  54   0.210  -7.898  -2.269
  339    HB3  LYS  54           HB1      LYS  54  -0.519  -9.128  -1.246
  340    HG2  LYS  54           HG2      LYS  54  -0.099  -6.263  -0.425
  341    HG3  LYS  54           HG1      LYS  54  -1.606  -6.914  -1.076
  342    HD2  LYS  54           HD2      LYS  54  -1.207  -8.681   0.882
  343    HD3  LYS  54           HD1      LYS  54  -0.351  -7.306   1.582
  344    HE2  LYS  54           HE2      LYS  54  -2.392  -6.751   2.356
  345    HE3  LYS  54           HE1      LYS  54  -2.612  -6.098   0.733
  346    HZ1  LYS  54           HZ1      LYS  54  -3.360  -8.866   1.492
  347    HZ2  LYS  54           HZ2      LYS  54  -3.756  -8.048   0.065
  348    HZ3  LYS  54           HZ3      LYS  54  -4.441  -7.565   1.535
  349    H    LYS  55           HN       LYS  55   2.846 -10.207   0.603
  350    HA   LYS  55           HA       LYS  55   4.310 -11.668  -0.976
  351    HB2  LYS  55           HB2      LYS  55   3.847 -12.286   1.359
  352    HB3  LYS  55           HB1      LYS  55   2.301 -12.967   0.870
  353    HG2  LYS  55           HG2      LYS  55   3.482 -14.882   0.854
  354    HG3  LYS  55           HG1      LYS  55   3.925 -14.336  -0.764
  355    HD2  LYS  55           HD2      LYS  55   5.795 -13.067   0.729
  356    HD3  LYS  55           HD1      LYS  55   5.550 -14.531   1.683
  357    HE2  LYS  55           HE2      LYS  55   7.148 -15.305   0.262
  358    HE3  LYS  55           HE1      LYS  55   5.724 -15.658  -0.715
  359    HZ1  LYS  55           HZ1      LYS  55   6.070 -13.653  -1.955
  360    HZ2  LYS  55           HZ2      LYS  55   7.509 -14.540  -1.961
  361    HZ3  LYS  55           HZ3      LYS  55   7.355 -13.189  -0.956
  362    H    ALA  56           HN       ALA  56   4.246 -12.755  -2.836
  363    HA   ALA  56           HA       ALA  56   2.226 -12.795  -4.617
  364    HB1  ALA  56           HB1      ALA  56   4.557 -14.569  -4.208
  365    HB2  ALA  56           HB2      ALA  56   4.108 -13.584  -5.600
  366    HB3  ALA  56           HB3      ALA  56   3.306 -15.129  -5.319
  367    H    GLY  57           HN       GLY  57   0.299 -13.709  -4.824
  368    HA2  GLY  57           HA2      GLY  57  -1.019 -15.794  -4.710
  369    HA3  GLY  57           HA1      GLY  57  -0.297 -16.064  -3.129
  370    H    THR  58           HN       THR  58  -0.661 -12.916  -3.004
  371    HA   THR  58           HA       THR  58  -3.123 -13.057  -1.511
  372    HB   THR  58           HB       THR  58  -1.296 -10.728  -2.154
  373    HG1  THR  58           HG1      THR  58  -1.573 -12.220   0.242
  374   HG21  THR  58          HG21      THR  58  -2.878 -10.498   0.254
  375   HG22  THR  58          HG22      THR  58  -3.876 -10.562  -1.200
  376   HG23  THR  58          HG23      THR  58  -2.613  -9.337  -1.048
  377    H    VAL  59           HN       VAL  59  -4.967 -13.152  -2.702
  378    HA   VAL  59           HA       VAL  59  -5.257 -12.045  -5.279
  379    HB   VAL  59           HB       VAL  59  -6.717 -13.855  -4.501
  380   HG11  VAL  59          HG11      VAL  59  -8.016 -13.781  -2.669
  381   HG12  VAL  59          HG12      VAL  59  -8.475 -12.099  -2.937
  382   HG13  VAL  59          HG13      VAL  59  -6.929 -12.482  -2.180
  383   HG21  VAL  59          HG21      VAL  59  -7.547 -12.595  -6.343
  384   HG22  VAL  59          HG22      VAL  59  -8.110 -11.304  -5.282
  385   HG23  VAL  59          HG23      VAL  59  -8.902 -12.879  -5.250
  386    H    CYS  60           HN       CYS  60  -5.343  -9.964  -5.807
  387    HA   CYS  60           HA       CYS  60  -6.357  -8.055  -3.815
  388    HB2  CYS  60           HB2      CYS  60  -4.874  -7.262  -6.302
  389    HB3  CYS  60           HB1      CYS  60  -5.039  -6.381  -4.789
  390    H    ARG  61           HN       ARG  61  -6.954  -9.397  -6.936
  391    HA   ARG  61           HA       ARG  61  -9.454  -7.941  -7.112
  392    HB2  ARG  61           HB2      ARG  61  -7.685  -7.879  -9.536
  393    HB3  ARG  61           HB1      ARG  61  -9.096  -6.895  -9.175
  394    HG2  ARG  61           HG2      ARG  61  -7.810  -5.752  -7.411
  395    HG3  ARG  61           HG1      ARG  61  -6.391  -6.694  -7.871
  396    HD2  ARG  61           HD2      ARG  61  -7.905  -4.857  -9.722
  397    HD3  ARG  61           HD1      ARG  61  -6.440  -4.413  -8.849
  398    HE   ARG  61           HE       ARG  61  -6.247  -6.761 -10.540
  399   HH11  ARG  61          HH11      ARG  61  -5.747  -3.315 -10.249
  400   HH12  ARG  61          HH12      ARG  61  -4.605  -3.248 -11.548
  401   HH21  ARG  61          HH21      ARG  61  -4.749  -6.667 -12.251
  402   HH22  ARG  61          HH22      ARG  61  -4.040  -5.148 -12.685
  403    H    ILE  62           HN       ILE  62 -10.440  -8.582  -9.423
  404    HA   ILE  62           HA       ILE  62  -9.868 -11.096 -10.511
  405    HB   ILE  62           HB       ILE  62 -10.579 -12.112  -8.471
  406   HG12  ILE  62          HG12      ILE  62 -12.542 -13.403  -9.175
  407   HG13  ILE  62          HG11      ILE  62 -12.907 -12.201 -10.407
  408   HG21  ILE  62          HG21      ILE  62 -11.866  -9.961  -7.821
  409   HG22  ILE  62          HG22      ILE  62 -12.415 -11.519  -7.205
  410   HG23  ILE  62          HG23      ILE  62 -13.242 -10.769  -8.573
  411   HD11  ILE  62          HD11      ILE  62 -10.837 -14.314 -10.365
  412   HD12  ILE  62          HD12      ILE  62 -10.454 -12.804 -11.190
  413   HD13  ILE  62          HD13      ILE  62 -11.858 -13.746 -11.686
  414    H    ALA  63           HN       ALA  63 -10.909 -11.275 -12.394
  415    HA   ALA  63           HA       ALA  63 -12.309  -9.149 -13.465
  416    HB1  ALA  63           HB1      ALA  63 -13.117 -11.331 -14.984
  417    HB2  ALA  63           HB2      ALA  63 -11.538 -11.780 -14.337
  418    HB3  ALA  63           HB3      ALA  63 -11.721 -10.292 -15.262
  419    H    ARG  64           HN       ARG  64 -14.146 -12.124 -13.740
  420    HA   ARG  64           HA       ARG  64 -16.212 -11.061 -11.967
  421    HB2  ARG  64           HB2      ARG  64 -16.442 -11.372 -14.918
  422    HB3  ARG  64           HB1      ARG  64 -17.840 -11.800 -13.941
  423    HG2  ARG  64           HG2      ARG  64 -16.432  -9.141 -13.840
  424    HG3  ARG  64           HG1      ARG  64 -17.892  -9.477 -14.774
  425    HD2  ARG  64           HD2      ARG  64 -18.642 -10.380 -12.341
  426    HD3  ARG  64           HD1      ARG  64 -17.538  -9.087 -11.874
  427    HE   ARG  64           HE       ARG  64 -19.381  -8.227 -13.866
  428   HH11  ARG  64          HH11      ARG  64 -19.074  -8.873 -10.450
  429   HH12  ARG  64          HH12      ARG  64 -20.329  -7.768 -10.001
  430   HH21  ARG  64          HH21      ARG  64 -21.033  -6.773 -13.277
  431   HH22  ARG  64          HH22      ARG  64 -21.442  -6.576 -11.605
  432    H    GLY  65           HN       GLY  65 -15.688 -12.852 -10.618
  433    HA2  GLY  65           HA2      GLY  65 -17.067 -14.906 -10.154
  434    HA3  GLY  65           HA1      GLY  65 -16.518 -15.458 -11.731
  435    H    ASP  66           HN       ASP  66 -14.650 -16.531 -11.888
  436    HA   ASP  66           HA       ASP  66 -12.411 -16.234 -10.287
  437    HB2  ASP  66           HB2      ASP  66 -12.581 -18.372  -8.932
  438    HB3  ASP  66           HB1      ASP  66 -13.603 -17.043  -8.392
  439    H    TRP  67           HN       TRP  67 -11.424 -16.495 -12.249
  440    HA   TRP  67           HA       TRP  67 -11.383 -19.241 -13.323
  441    HB2  TRP  67           HB2      TRP  67 -10.416 -17.479 -15.308
  442    HB3  TRP  67           HB1      TRP  67 -11.926 -18.381 -15.324
  443    HD1  TRP  67           HD1      TRP  67 -10.666 -14.956 -13.934
  444    HE1  TRP  67           HE1      TRP  67 -12.590 -13.283 -14.173
  445    HE3  TRP  67           HE3      TRP  67 -14.230 -18.076 -15.843
  446    HZ2  TRP  67           HZ2      TRP  67 -15.253 -13.267 -15.057
  447    HZ3  TRP  67           HZ3      TRP  67 -16.450 -17.147 -16.369
  448    HH2  TRP  67           HH2      TRP  67 -16.950 -14.787 -15.984
  449    H    ASN  68           HN       ASN  68  -9.472 -16.305 -13.652
  450    HA   ASN  68           HA       ASN  68  -7.022 -17.848 -13.171
  451    HB2  ASN  68           HB2      ASN  68  -7.023 -15.045 -14.237
  452    HB3  ASN  68           HB1      ASN  68  -5.872 -16.346 -14.530
  453   HD21  ASN  68          HD21      ASN  68  -9.187 -15.313 -15.192
  454   HD22  ASN  68          HD22      ASN  68  -9.314 -16.098 -16.725
  455    H    ASP  69           HN       ASP  69  -8.932 -15.121 -12.140
  456    HA   ASP  69           HA       ASP  69  -8.909 -13.831 -10.275
  457    HB2  ASP  69           HB2      ASP  69  -7.417 -16.261  -9.405
  458    HB3  ASP  69           HB1      ASP  69  -7.417 -14.853  -8.348
  459    H    ASP  70           HN       ASP  70  -7.787 -12.146  -9.350
  460    HA   ASP  70           HA       ASP  70  -5.211 -11.581 -10.574
  461    HB2  ASP  70           HB2      ASP  70  -7.108  -9.885 -10.485
  462    HB3  ASP  70           HB1      ASP  70  -6.811  -9.782  -8.754
  463    H    TYR  71           HN       TYR  71  -3.344 -11.919  -9.542
  464    HA   TYR  71           HA       TYR  71  -3.400 -11.966  -6.604
  465    HB2  TYR  71           HB2      TYR  71  -2.384 -14.044  -8.491
  466    HB3  TYR  71           HB1      TYR  71  -1.644 -13.860  -6.901
  467    HD1  TYR  71           HD1      TYR  71  -3.111 -13.991  -4.887
  468    HD2  TYR  71           HD2      TYR  71  -4.409 -15.183  -8.738
  469    HE1  TYR  71           HE1      TYR  71  -4.912 -15.290  -3.849
  470    HE2  TYR  71           HE2      TYR  71  -6.230 -16.484  -7.737
  471    HH   TYR  71           HH       TYR  71  -7.501 -16.617  -5.687
  472    H    CYS  72           HN       CYS  72  -1.597 -11.378  -5.516
  473    HA   CYS  72           HA       CYS  72   0.133  -9.535  -6.827
  474    HB2  CYS  72           HB2      CYS  72  -0.680  -9.471  -4.397
  475    HB3  CYS  72           HB1      CYS  72   0.564 -10.676  -4.076
  476    H    THR  73           HN       THR  73   2.532  -9.679  -6.637
  477    HA   THR  73           HA       THR  73   3.422 -12.449  -7.089
  478    HB   THR  73           HB       THR  73   4.876 -11.712  -8.799
  479    HG1  THR  73           HG1      THR  73   4.310  -9.086  -7.897
  480   HG21  THR  73          HG21      THR  73   3.403 -11.165 -10.399
  481   HG22  THR  73          HG22      THR  73   2.778  -9.781  -9.500
  482   HG23  THR  73          HG23      THR  73   2.216 -11.409  -9.115
  483    H    GLY  74           HN       GLY  74   3.915  -9.551  -5.308
  484    HA2  GLY  74           HA2      GLY  74   5.196  -9.311  -3.385
  485    HA3  GLY  74           HA1      GLY  74   5.952 -10.858  -3.727
  486    H    LYS  75           HN       LYS  75   5.953  -8.688  -6.363
  487    HA   LYS  75           HA       LYS  75   8.665  -7.773  -5.685
  488    HB2  LYS  75           HB2      LYS  75   8.016  -8.455  -8.520
  489    HB3  LYS  75           HB1      LYS  75   9.573  -8.433  -7.705
  490    HG2  LYS  75           HG2      LYS  75   9.421 -10.646  -7.644
  491    HG3  LYS  75           HG1      LYS  75   8.201 -10.428  -6.389
  492    HD2  LYS  75           HD2      LYS  75   6.577 -11.171  -7.727
  493    HD3  LYS  75           HD1      LYS  75   7.074 -10.101  -9.037
  494    HE2  LYS  75           HE2      LYS  75   9.047 -11.967  -9.096
  495    HE3  LYS  75           HE1      LYS  75   7.672 -12.941  -8.579
  496    HZ1  LYS  75           HZ1      LYS  75   6.588 -11.543 -10.574
  497    HZ2  LYS  75           HZ2      LYS  75   7.300 -13.064 -10.776
  498    HZ3  LYS  75           HZ3      LYS  75   8.182 -11.665 -11.131
  499    H    SER  76           HN       SER  76   5.682  -6.725  -6.117
  500    HA   SER  76           HA       SER  76   6.514  -4.105  -6.905
  501    HB2  SER  76           HB2      SER  76   4.490  -5.384  -8.735
  502    HB3  SER  76           HB1      SER  76   5.353  -3.862  -8.950
  503    HG   SER  76           HG       SER  76   6.068  -5.925 -10.102
  504    H    SER  77           HN       SER  77   4.574  -2.611  -7.083
  505    HA   SER  77           HA       SER  77   2.788  -3.204  -4.861
  506    HB2  SER  77           HB2      SER  77   2.125  -0.763  -5.206
  507    HB3  SER  77           HB1      SER  77   3.792  -1.057  -4.711
  508    HG   SER  77           HG       SER  77   4.488  -0.397  -6.608
  509    H    ASP  78           HN       ASP  78   2.626  -4.110  -7.880
  510    HA   ASP  78           HA       ASP  78  -0.206  -3.371  -8.225
  511    HB2  ASP  78           HB2      ASP  78   0.118  -3.835 -10.634
  512    HB3  ASP  78           HB1      ASP  78   1.171  -2.547 -10.055
  513    H    CYS  79           HN       CYS  79  -1.678  -4.951  -8.852
  514    HA   CYS  79           HA       CYS  79  -0.802  -7.736  -8.419
  515    HB2  CYS  79           HB2      CYS  79  -2.616  -6.262  -6.918
  516    HB3  CYS  79           HB1      CYS  79  -3.640  -7.240  -7.962
  517    HA   PRO  80           HA       PRO  80  -2.323  -7.824 -12.715
  518    HB2  PRO  80           HB2      PRO  80  -1.217 -10.223 -13.333
  519    HB3  PRO  80           HB1      PRO  80  -0.297  -8.714 -13.330
  520    HG2  PRO  80           HG2      PRO  80  -0.461 -10.836 -11.222
  521    HG3  PRO  80           HG1      PRO  80   0.965  -9.979 -11.836
  522    HD2  PRO  80           HD2      PRO  80  -0.231  -9.301  -9.512
  523    HD3  PRO  80           HD1      PRO  80   0.540  -8.099 -10.566
  524    H    TRP  81           HN       TRP  81  -4.103  -8.743 -13.599
  525    HA   TRP  81           HA       TRP  81  -5.836 -10.309 -11.967
  526    HB2  TRP  81           HB2      TRP  81  -6.480 -10.322 -14.819
  527    HB3  TRP  81           HB1      TRP  81  -7.451  -9.799 -13.452
  528    HD1  TRP  81           HD1      TRP  81  -4.929  -8.463 -16.023
  529    HE1  TRP  81           HE1      TRP  81  -5.144  -5.896 -16.083
  530    HE3  TRP  81           HE3      TRP  81  -8.086  -7.855 -12.092
  531    HZ2  TRP  81           HZ2      TRP  81  -6.499  -3.881 -14.640
  532    HZ3  TRP  81           HZ3      TRP  81  -8.819  -5.577 -11.483
  533    HH2  TRP  81           HH2      TRP  81  -8.033  -3.628 -12.734
  534    H    ASN  82           HN       ASN  82  -3.271 -11.155 -13.923
  535    HA   ASN  82           HA       ASN  82  -2.428 -13.151 -14.637
  536    HB2  ASN  82           HB2      ASN  82  -4.610 -14.140 -12.807
  537    HB3  ASN  82           HB1      ASN  82  -3.639 -15.259 -13.758
  538   HD21  ASN  82          HD21      ASN  82  -3.752 -13.191 -11.029
  539   HD22  ASN  82          HD22      ASN  82  -2.177 -13.547 -10.414
  540    H    HIS  83           HN       HIS  83  -4.578 -11.632 -15.997
  541    HA   HIS  83           HA       HIS  83  -5.970 -13.726 -17.493
  542    HB2  HIS  83           HB2      HIS  83  -6.325 -10.717 -17.473
  543    HB3  HIS  83           HB1      HIS  83  -7.293 -11.841 -18.428
  544    HD1  HIS  83           HD1      HIS  83  -8.410  -9.942 -16.142
  545    HD2  HIS  83           HD2      HIS  83  -7.541 -13.984 -15.767
  546    HE1  HIS  83           HE1      HIS  83  -9.765 -10.745 -14.182
  547    HE2  HIS  83           HE2      HIS  83  -9.167 -13.175 -13.927
  Start of MODEL   11
    1    H1   SER   1           HT1      SER   1  -4.899  17.595  20.788
    2    H2   SER   1           HT2      SER   1  -4.182  16.091  20.378
    3    H3   SER   1           HT3      SER   1  -5.866  16.183  20.696
    4    HA   SER   1           HA       SER   1  -5.671  16.047  18.418
    5    HB2  SER   1           HB2      SER   1  -7.107  17.896  19.524
    6    HB3  SER   1           HB1      SER   1  -5.885  19.011  18.914
    7    HG   SER   1           HG       SER   1  -7.219  17.134  17.267
    8    HA   PRO   2           HA       PRO   2  -1.324  17.377  17.576
    9    HB2  PRO   2           HB2      PRO   2  -0.689  15.231  16.053
   10    HB3  PRO   2           HB1      PRO   2  -0.589  15.211  17.817
   11    HG2  PRO   2           HG2      PRO   2  -2.751  14.157  16.032
   12    HG3  PRO   2           HG1      PRO   2  -2.019  13.408  17.463
   13    HD2  PRO   2           HD2      PRO   2  -4.409  14.678  17.544
   14    HD3  PRO   2           HD1      PRO   2  -3.291  14.659  18.923
   15    HA   PRO   3           HA       PRO   3  -2.307  18.980  13.555
   16    HB2  PRO   3           HB2      PRO   3   0.088  19.897  12.801
   17    HB3  PRO   3           HB1      PRO   3  -0.794  20.628  14.148
   18    HG2  PRO   3           HG2      PRO   3   1.478  18.682  14.204
   19    HG3  PRO   3           HG1      PRO   3   1.201  20.109  15.219
   20    HD2  PRO   3           HD2      PRO   3   0.636  17.530  15.990
   21    HD3  PRO   3           HD1      PRO   3  -0.167  18.966  16.653
   22    H    VAL   4           HN       VAL   4  -2.670  18.072  11.707
   23    HA   VAL   4           HA       VAL   4  -1.601  15.653  10.902
   24    HB   VAL   4           HB       VAL   4  -2.619  17.363   8.741
   25   HG11  VAL   4          HG11      VAL   4  -4.269  15.349   8.716
   26   HG12  VAL   4          HG12      VAL   4  -3.108  14.632   9.831
   27   HG13  VAL   4          HG13      VAL   4  -2.595  15.123   8.221
   28   HG21  VAL   4          HG21      VAL   4  -5.001  17.124   9.664
   29   HG22  VAL   4          HG22      VAL   4  -3.997  18.429  10.294
   30   HG23  VAL   4          HG23      VAL   4  -4.226  16.957  11.239
   31    H    CYS   5           HN       CYS   5   0.644  15.767  10.906
   32    HA   CYS   5           HA       CYS   5   2.103  17.800   9.565
   33    HB2  CYS   5           HB2      CYS   5   3.635  15.355   9.633
   34    HB3  CYS   5           HB1      CYS   5   3.892  16.842  10.526
   35    H    GLY   6           HN       GLY   6   1.496  18.112   7.510
   36    HA2  GLY   6           HA2      GLY   6   2.026  17.689   5.229
   37    HA3  GLY   6           HA1      GLY   6   2.147  15.976   5.607
   38    H    ASN   7           HN       ASN   7  -0.546  17.518   7.017
   39    HA   ASN   7           HA       ASN   7  -2.789  17.400   6.657
   40    HB2  ASN   7           HB2      ASN   7  -1.671  17.735   3.931
   41    HB3  ASN   7           HB1      ASN   7  -3.318  17.112   4.012
   42   HD21  ASN   7          HD21      ASN   7  -1.227  19.744   5.065
   43   HD22  ASN   7          HD22      ASN   7  -2.477  20.931   5.186
   44    H    LYS   8           HN       LYS   8  -4.260  15.777   6.818
   45    HA   LYS   8           HA       LYS   8  -3.527  13.135   6.918
   46    HB2  LYS   8           HB2      LYS   8  -5.777  14.372   7.560
   47    HB3  LYS   8           HB1      LYS   8  -6.296  13.785   5.985
   48    HG2  LYS   8           HG2      LYS   8  -5.035  11.832   7.822
   49    HG3  LYS   8           HG1      LYS   8  -6.661  12.397   8.210
   50    HD2  LYS   8           HD2      LYS   8  -5.926  11.368   5.482
   51    HD3  LYS   8           HD1      LYS   8  -6.475  10.300   6.775
   52    HE2  LYS   8           HE2      LYS   8  -8.562  11.507   6.936
   53    HE3  LYS   8           HE1      LYS   8  -8.008  12.685   5.747
   54    HZ1  LYS   8           HZ1      LYS   8  -9.138  11.349   4.354
   55    HZ2  LYS   8           HZ2      LYS   8  -9.021   9.991   5.356
   56    HZ3  LYS   8           HZ3      LYS   8  -7.716  10.431   4.373
   57    H    ILE   9           HN       ILE   9  -2.414  12.196   5.285
   58    HA   ILE   9           HA       ILE   9  -2.469  12.746   2.635
   59    HB   ILE   9           HB       ILE   9  -1.779  10.527   2.037
   60   HG12  ILE   9          HG12      ILE   9  -3.452   9.629   4.035
   61   HG13  ILE   9          HG11      ILE   9  -2.309   8.650   3.121
   62   HG21  ILE   9          HG21      ILE   9   0.099  10.282   3.720
   63   HG22  ILE   9          HG22      ILE   9  -0.623  11.661   4.541
   64   HG23  ILE   9          HG23      ILE   9  -0.053  11.825   2.881
   65   HD11  ILE   9          HD11      ILE   9  -2.053   8.194   5.451
   66   HD12  ILE   9          HD12      ILE   9  -1.861   9.907   5.814
   67   HD13  ILE   9          HD13      ILE   9  -0.625   9.059   4.882
   68    H    LEU  10           HN       LEU  10  -3.480  12.101   0.810
   69    HA   LEU  10           HA       LEU  10  -6.270  11.312   1.195
   70    HB2  LEU  10           HB2      LEU  10  -6.482  12.277  -1.155
   71    HB3  LEU  10           HB1      LEU  10  -6.144  13.408   0.147
   72    HG   LEU  10           HG       LEU  10  -3.854  12.283  -1.403
   73   HD11  LEU  10          HD11      LEU  10  -5.916  13.383  -2.787
   74   HD12  LEU  10          HD12      LEU  10  -4.226  13.417  -3.290
   75   HD13  LEU  10          HD13      LEU  10  -4.922  14.799  -2.444
   76   HD21  LEU  10          HD21      LEU  10  -3.631  15.045  -0.899
   77   HD22  LEU  10          HD22      LEU  10  -2.772  13.723  -0.108
   78   HD23  LEU  10          HD23      LEU  10  -4.289  14.317   0.568
   79    H    GLU  11           HN       GLU  11  -3.795   9.564   0.935
   80    HA   GLU  11           HA       GLU  11  -4.787   7.322  -0.180
   81    HB2  GLU  11           HB2      GLU  11  -3.630   7.321  -2.475
   82    HB3  GLU  11           HB1      GLU  11  -5.160   8.171  -2.321
   83    HG2  GLU  11           HG2      GLU  11  -3.290  10.111  -1.742
   84    HG3  GLU  11           HG1      GLU  11  -2.527   9.169  -3.020
   85    H    GLN  12           HN       GLN  12  -2.040   9.309   0.404
   86    HA   GLN  12           HA       GLN  12   0.028   7.572  -0.217
   87    HB2  GLN  12           HB2      GLN  12   0.143   9.410   2.144
   88    HB3  GLN  12           HB1      GLN  12   1.433   8.951   1.062
   89    HG2  GLN  12           HG2      GLN  12  -0.904  10.708   0.347
   90    HG3  GLN  12           HG1      GLN  12   0.718  11.267   0.749
   91   HE21  GLN  12          HE21      GLN  12  -1.172   9.434  -1.581
   92   HE22  GLN  12          HE22      GLN  12  -0.084   9.640  -2.905
   93    H    GLY  13           HN       GLY  13  -0.434   8.266   3.202
   94    HA2  GLY  13           HA2      GLY  13  -0.703   6.847   5.015
   95    HA3  GLY  13           HA1      GLY  13  -1.061   5.541   3.889
   96    H    GLU  14           HN       GLU  14   1.711   7.281   3.134
   97    HA   GLU  14           HA       GLU  14   3.809   6.519   4.601
   98    HB2  GLU  14           HB2      GLU  14   2.624   4.139   3.393
   99    HB3  GLU  14           HB1      GLU  14   4.315   4.339   2.963
  100    HG2  GLU  14           HG2      GLU  14   4.884   4.495   5.343
  101    HG3  GLU  14           HG1      GLU  14   3.192   4.218   5.748
  102    H    ASP  15           HN       ASP  15   2.386   6.997   1.552
  103    HA   ASP  15           HA       ASP  15   4.610   7.019  -0.136
  104    HB2  ASP  15           HB2      ASP  15   1.984   7.377  -0.499
  105    HB3  ASP  15           HB1      ASP  15   2.489   9.061  -0.509
  106    H    CYS  16           HN       CYS  16   3.065   9.714   1.589
  107    HA   CYS  16           HA       CYS  16   5.309  10.952   2.536
  108    HB2  CYS  16           HB2      CYS  16   6.364  11.484   0.593
  109    HB3  CYS  16           HB1      CYS  16   4.884  11.425  -0.352
  110    H    ASP  17           HN       ASP  17   4.693  12.516   3.864
  111    HA   ASP  17           HA       ASP  17   3.512  14.178   4.855
  112    HB2  ASP  17           HB2      ASP  17   2.628  14.363   2.094
  113    HB3  ASP  17           HB1      ASP  17   1.329  14.769   3.208
  114    H    CYS  18           HN       CYS  18   3.066  11.567   5.528
  115    HA   CYS  18           HA       CYS  18   0.661  10.387   5.490
  116    HB2  CYS  18           HB2      CYS  18   2.848  10.164   7.138
  117    HB3  CYS  18           HB1      CYS  18   1.566  10.614   8.265
  118    H    GLY  19           HN       GLY  19   1.387  13.375   7.173
  119    HA2  GLY  19           HA2      GLY  19  -0.023  14.952   8.083
  120    HA3  GLY  19           HA1      GLY  19  -1.314  14.169   7.193
  121    H    SER  20           HN       SER  20  -2.008  11.989   8.186
  122    HA   SER  20           HA       SER  20  -3.143  12.476  10.632
  123    HB2  SER  20           HB2      SER  20  -3.831  10.230  10.676
  124    HB3  SER  20           HB1      SER  20  -3.698  10.634   8.966
  125    HG   SER  20           HG       SER  20  -1.797   9.508   8.851
  126    HA   PRO  21           HA       PRO  21   0.614  12.543  13.068
  127    HB2  PRO  21           HB2      PRO  21  -1.470  12.922  15.161
  128    HB3  PRO  21           HB1      PRO  21   0.008  13.844  14.859
  129    HG2  PRO  21           HG2      PRO  21  -2.369  14.830  14.168
  130    HG3  PRO  21           HG1      PRO  21  -0.947  15.069  13.136
  131    HD2  PRO  21           HD2      PRO  21  -3.241  13.187  12.794
  132    HD3  PRO  21           HD1      PRO  21  -2.337  14.085  11.561
  133    H    ALA  22           HN       ALA  22  -2.213  10.543  13.453
  134    HA   ALA  22           HA       ALA  22  -1.370   8.929  15.586
  135    HB1  ALA  22           HB1      ALA  22  -3.116   7.533  15.051
  136    HB2  ALA  22           HB2      ALA  22  -2.884   7.729  13.314
  137    HB3  ALA  22           HB3      ALA  22  -3.633   9.019  14.255
  138    H    ASN  23           HN       ASN  23  -0.255   9.199  12.357
  139    HA   ASN  23           HA       ASN  23   1.471   6.845  12.728
  140    HB2  ASN  23           HB2      ASN  23   0.461   7.834  10.057
  141    HB3  ASN  23           HB1      ASN  23   1.305   6.324  10.400
  142   HD21  ASN  23          HD21      ASN  23  -0.136   5.631  12.738
  143   HD22  ASN  23          HD22      ASN  23  -1.737   5.195  12.258
  144    H    CYS  24           HN       CYS  24   1.477  10.089  12.716
  145    HA   CYS  24           HA       CYS  24   3.630  10.703  10.951
  146    HB2  CYS  24           HB2      CYS  24   1.912  12.346  11.686
  147    HB3  CYS  24           HB1      CYS  24   2.581  12.283  13.310
  148    H    GLN  25           HN       GLN  25   5.415   9.483  11.358
  149    HA   GLN  25           HA       GLN  25   7.354   8.829  12.345
  150    HB2  GLN  25           HB2      GLN  25   6.800  11.448  13.683
  151    HB3  GLN  25           HB1      GLN  25   8.138  10.458  14.249
  152    HG2  GLN  25           HG2      GLN  25   7.909  11.035  11.340
  153    HG3  GLN  25           HG1      GLN  25   8.487  12.301  12.422
  154   HE21  GLN  25          HE21      GLN  25  10.073  11.271  10.424
  155   HE22  GLN  25          HE22      GLN  25  11.374  10.378  11.127
  156    H    ASP  26           HN       ASP  26   5.766   7.080  13.116
  157    HA   ASP  26           HA       ASP  26   6.469   6.289  15.694
  158    HB2  ASP  26           HB2      ASP  26   4.611   8.247  15.932
  159    HB3  ASP  26           HB1      ASP  26   3.565   6.833  15.837
  160    H    ARG  27           HN       ARG  27   4.041   6.119  13.143
  161    HA   ARG  27           HA       ARG  27   3.442   3.354  13.793
  162    HB2  ARG  27           HB2      ARG  27   1.581   4.761  13.168
  163    HB3  ARG  27           HB1      ARG  27   2.361   5.189  11.653
  164    HG2  ARG  27           HG2      ARG  27   1.160   3.554  10.743
  165    HG3  ARG  27           HG1      ARG  27   2.264   2.439  11.550
  166    HD2  ARG  27           HD2      ARG  27  -0.232   3.521  12.839
  167    HD3  ARG  27           HD1      ARG  27  -0.190   2.012  11.928
  168    HE   ARG  27           HE       ARG  27   0.700   2.412  14.593
  169   HH11  ARG  27          HH11      ARG  27   1.417   0.632  11.679
  170   HH12  ARG  27          HH12      ARG  27   2.178  -0.678  12.517
  171   HH21  ARG  27          HH21      ARG  27   1.701   0.690  15.698
  172   HH22  ARG  27          HH22      ARG  27   2.339  -0.646  14.799
  173    H    CYS  28           HN       CYS  28   3.680   4.475  10.468
  174    HA   CYS  28           HA       CYS  28   6.157   3.073   9.992
  175    HB2  CYS  28           HB2      CYS  28   4.337   1.304  10.033
  176    HB3  CYS  28           HB1      CYS  28   3.673   2.073   8.597
  177    H    CYS  29           HN       CYS  29   4.876   5.757   9.613
  178    HA   CYS  29           HA       CYS  29   5.696   6.107   6.822
  179    HB2  CYS  29           HB2      CYS  29   3.752   7.494   6.315
  180    HB3  CYS  29           HB1      CYS  29   3.249   5.868   6.764
  181    H    ASN  30           HN       ASN  30   5.948   8.408   6.261
  182    HA   ASN  30           HA       ASN  30   6.903   9.930   8.591
  183    HB2  ASN  30           HB2      ASN  30   7.970   9.610   5.812
  184    HB3  ASN  30           HB1      ASN  30   8.306  11.075   6.710
  185   HD21  ASN  30          HD21      ASN  30   8.607  10.086   9.263
  186   HD22  ASN  30          HD22      ASN  30   9.991   9.055   9.321
  187    H    ALA  31           HN       ALA  31   5.132  11.089   9.033
  188    HA   ALA  31           HA       ALA  31   3.749  12.593   6.981
  189    HB1  ALA  31           HB1      ALA  31   2.894  13.632   9.380
  190    HB2  ALA  31           HB2      ALA  31   3.304  11.975   9.802
  191    HB3  ALA  31           HB3      ALA  31   2.139  12.293   8.526
  192    H    ALA  32           HN       ALA  32   6.356  12.941   9.171
  193    HA   ALA  32           HA       ALA  32   6.507  15.844   8.711
  194    HB1  ALA  32           HB1      ALA  32   6.636  14.784  11.061
  195    HB2  ALA  32           HB2      ALA  32   7.821  16.017  10.629
  196    HB3  ALA  32           HB3      ALA  32   8.269  14.311  10.590
  197    H    THR  33           HN       THR  33   7.553  13.032   7.362
  198    HA   THR  33           HA       THR  33  10.030  14.277   6.413
  199    HB   THR  33           HB       THR  33  10.103  11.380   6.327
  200    HG1  THR  33           HG1      THR  33   8.823  11.816   8.296
  201   HG21  THR  33          HG21      THR  33  12.228  11.615   7.208
  202   HG22  THR  33          HG22      THR  33  11.848  13.175   7.939
  203   HG23  THR  33          HG23      THR  33  12.011  13.035   6.187
  204    H    CYS  34           HN       CYS  34   7.077  13.617   5.433
  205    HA   CYS  34           HA       CYS  34   6.068  13.027   3.478
  206    HB2  CYS  34           HB2      CYS  34   6.783  15.146   2.820
  207    HB3  CYS  34           HB1      CYS  34   8.465  14.649   2.700
  208    H    LYS  35           HN       LYS  35   7.020  10.724   4.293
  209    HA   LYS  35           HA       LYS  35   7.512   9.296   1.899
  210    HB2  LYS  35           HB2      LYS  35   9.820  10.394   2.929
  211    HB3  LYS  35           HB1      LYS  35   9.836   8.760   3.576
  212    HG2  LYS  35           HG2      LYS  35  11.037   8.709   1.540
  213    HG3  LYS  35           HG1      LYS  35   9.484   7.929   1.237
  214    HD2  LYS  35           HD2      LYS  35   9.920   9.355  -0.614
  215    HD3  LYS  35           HD1      LYS  35   8.665  10.134   0.351
  216    HE2  LYS  35           HE2      LYS  35  10.433  11.516   1.423
  217    HE3  LYS  35           HE1      LYS  35  11.605  10.802   0.316
  218    HZ1  LYS  35           HZ1      LYS  35  10.662  11.864  -1.495
  219    HZ2  LYS  35           HZ2      LYS  35  10.559  13.044  -0.288
  220    HZ3  LYS  35           HZ3      LYS  35   9.189  12.147  -0.712
  221    H    LEU  36           HN       LEU  36   8.393   6.969   2.526
  222    HA   LEU  36           HA       LEU  36   6.610   6.017   4.637
  223    HB2  LEU  36           HB2      LEU  36   7.086   3.772   3.703
  224    HB3  LEU  36           HB1      LEU  36   6.397   4.876   2.528
  225    HG   LEU  36           HG       LEU  36   9.276   4.987   2.415
  226   HD11  LEU  36          HD11      LEU  36   9.456   2.784   3.174
  227   HD12  LEU  36          HD12      LEU  36   9.471   2.643   1.416
  228   HD13  LEU  36          HD13      LEU  36   8.001   2.273   2.317
  229   HD21  LEU  36          HD21      LEU  36   7.507   5.627   0.697
  230   HD22  LEU  36          HD22      LEU  36   7.391   3.902   0.343
  231   HD23  LEU  36          HD23      LEU  36   8.919   4.750   0.107
  232    H    THR  37           HN       THR  37   7.350   4.784   6.403
  233    HA   THR  37           HA       THR  37   9.907   5.496   7.370
  234    HB   THR  37           HB       THR  37   9.410   3.808   9.182
  235    HG1  THR  37           HG1      THR  37   7.846   2.476   8.880
  236   HG21  THR  37          HG21      THR  37   7.193   5.046   9.847
  237   HG22  THR  37          HG22      THR  37   7.672   6.116   8.528
  238   HG23  THR  37          HG23      THR  37   8.759   5.854   9.893
  239    HA   PRO  38           HA       PRO  38  12.896   2.622   5.946
  240    HB2  PRO  38           HB2      PRO  38  13.249   2.051   8.867
  241    HB3  PRO  38           HB1      PRO  38  14.479   2.358   7.632
  242    HG2  PRO  38           HG2      PRO  38  13.812   4.278   9.315
  243    HG3  PRO  38           HG1      PRO  38  14.039   4.652   7.595
  244    HD2  PRO  38           HD2      PRO  38  11.515   4.393   9.162
  245    HD3  PRO  38           HD1      PRO  38  11.899   5.475   7.808
  246    H    GLY  39           HN       GLY  39  13.018   0.477   5.432
  247    HA2  GLY  39           HA2      GLY  39  12.688  -1.834   5.741
  248    HA3  GLY  39           HA1      GLY  39  11.583  -1.478   7.059
  249    H    SER  40           HN       SER  40   9.887   0.335   5.706
  250    HA   SER  40           HA       SER  40   8.018  -1.382   4.588
  251    HB2  SER  40           HB2      SER  40   7.257   0.722   5.387
  252    HB3  SER  40           HB1      SER  40   8.368   1.605   4.341
  253    HG   SER  40           HG       SER  40   5.924   0.417   3.751
  254    H    GLN  41           HN       GLN  41   7.889  -2.387   2.699
  255    HA   GLN  41           HA       GLN  41   9.838  -1.964   0.657
  256    HB2  GLN  41           HB2      GLN  41   7.612  -3.841   1.153
  257    HB3  GLN  41           HB1      GLN  41   7.978  -3.548  -0.541
  258    HG2  GLN  41           HG2      GLN  41  10.265  -4.125   1.242
  259    HG3  GLN  41           HG1      GLN  41   9.158  -5.453   0.896
  260   HE21  GLN  41          HE21      GLN  41  10.191  -2.761  -1.147
  261   HE22  GLN  41          HE22      GLN  41  10.893  -3.738  -2.386
  262    H    CYS  42           HN       CYS  42   6.412  -1.200   1.025
  263    HA   CYS  42           HA       CYS  42   6.664   0.698  -1.197
  264    HB2  CYS  42           HB2      CYS  42   4.399   0.003  -2.008
  265    HB3  CYS  42           HB1      CYS  42   5.656  -1.207  -2.242
  266    H    ASN  43           HN       ASN  43   5.266   2.453  -1.114
  267    HA   ASN  43           HA       ASN  43   4.547   3.269   1.518
  268    HB2  ASN  43           HB2      ASN  43   3.535   5.254   0.248
  269    HB3  ASN  43           HB1      ASN  43   5.272   5.009   0.100
  270   HD21  ASN  43          HD21      ASN  43   5.836   5.597  -1.866
  271   HD22  ASN  43          HD22      ASN  43   5.044   5.136  -3.331
  272    H    TYR  44           HN       TYR  44   2.839   2.051  -1.270
  273    HA   TYR  44           HA       TYR  44   0.683   1.013   0.142
  274    HB2  TYR  44           HB2      TYR  44  -1.135   2.538  -0.330
  275    HB3  TYR  44           HB1      TYR  44   0.112   3.401   0.559
  276    HD1  TYR  44           HD2      TYR  44  -1.041   2.761  -2.928
  277    HD2  TYR  44           HD1      TYR  44   0.847   5.460  -0.237
  278    HE1  TYR  44           HE2      TYR  44  -0.994   4.470  -4.686
  279    HE2  TYR  44           HE1      TYR  44   0.898   7.177  -1.976
  280    HH   TYR  44           HH       TYR  44   0.688   6.701  -5.045
  281    H    GLY  45           HN       GLY  45  -1.226   0.519  -1.408
  282    HA2  GLY  45           HA2      GLY  45  -1.528   0.594  -3.989
  283    HA3  GLY  45           HA1      GLY  45  -0.011  -0.291  -3.955
  284    H    GLU  46           HN       GLU  46  -1.966  -1.520  -5.208
  285    HA   GLU  46           HA       GLU  46  -3.833  -3.020  -3.830
  286    HB2  GLU  46           HB2      GLU  46  -2.306  -3.431  -6.364
  287    HB3  GLU  46           HB1      GLU  46  -3.280  -4.755  -5.741
  288    HG2  GLU  46           HG2      GLU  46  -4.978  -3.848  -6.841
  289    HG3  GLU  46           HG1      GLU  46  -4.985  -2.600  -5.595
  290    H    CYS  47           HN       CYS  47  -0.434  -3.769  -4.450
  291    HA   CYS  47           HA       CYS  47  -0.591  -6.276  -3.010
  292    HB2  CYS  47           HB2      CYS  47   1.452  -4.846  -4.628
  293    HB3  CYS  47           HB1      CYS  47   2.031  -6.002  -3.435
  294    H    CYS  48           HN       CYS  48   0.155  -2.995  -2.292
  295    HA   CYS  48           HA       CYS  48   1.970  -3.406  -0.179
  296    HB2  CYS  48           HB2      CYS  48   0.984  -1.216  -1.484
  297    HB3  CYS  48           HB1      CYS  48   0.221  -1.068   0.096
  298    H    ASP  49           HN       ASP  49   1.745  -3.938   1.863
  299    HA   ASP  49           HA       ASP  49  -0.884  -3.824   3.136
  300    HB2  ASP  49           HB2      ASP  49  -0.074  -6.191   2.124
  301    HB3  ASP  49           HB1      ASP  49   0.707  -6.265   3.700
  302    H    GLN  50           HN       GLN  50  -0.411  -2.362   4.663
  303    HA   GLN  50           HA       GLN  50   0.440  -1.477   6.574
  304    HB2  GLN  50           HB2      GLN  50   1.880  -4.126   6.824
  305    HB3  GLN  50           HB1      GLN  50   1.765  -2.908   8.085
  306    HG2  GLN  50           HG2      GLN  50  -0.804  -3.194   7.717
  307    HG3  GLN  50           HG1      GLN  50  -0.324  -4.743   7.025
  308   HE21  GLN  50          HE21      GLN  50   0.633  -2.781   9.829
  309   HE22  GLN  50          HE22      GLN  50   0.527  -4.066  10.978
  310    H    CYS  51           HN       CYS  51   3.265  -3.443   5.659
  311    HA   CYS  51           HA       CYS  51   4.646  -1.127   4.610
  312    HB2  CYS  51           HB2      CYS  51   5.970  -2.570   6.896
  313    HB3  CYS  51           HB1      CYS  51   6.397  -1.021   6.183
  314    H    ARG  52           HN       ARG  52   3.779  -3.764   3.659
  315    HA   ARG  52           HA       ARG  52   6.232  -4.531   2.376
  316    HB2  ARG  52           HB2      ARG  52   6.025  -5.756   4.695
  317    HB3  ARG  52           HB1      ARG  52   4.888  -6.776   3.825
  318    HG2  ARG  52           HG2      ARG  52   7.027  -7.822   3.764
  319    HG3  ARG  52           HG1      ARG  52   6.667  -7.221   2.145
  320    HD2  ARG  52           HD2      ARG  52   8.979  -6.756   2.752
  321    HD3  ARG  52           HD1      ARG  52   8.066  -5.261   2.559
  322    HE   ARG  52           HE       ARG  52   7.933  -5.891   5.239
  323   HH11  ARG  52          HH11      ARG  52  10.447  -5.195   2.921
  324   HH12  ARG  52          HH12      ARG  52  11.518  -4.514   4.099
  325   HH21  ARG  52          HH21      ARG  52   9.340  -4.996   6.790
  326   HH22  ARG  52          HH22      ARG  52  10.890  -4.402   6.296
  327    H    PHE  53           HN       PHE  53   5.894  -6.140   0.678
  328    HA   PHE  53           HA       PHE  53   3.410  -5.709  -0.665
  329    HB2  PHE  53           HB2      PHE  53   5.833  -7.388  -1.297
  330    HB3  PHE  53           HB1      PHE  53   4.396  -7.411  -2.316
  331    HD1  PHE  53           HD1      PHE  53   3.630  -4.542  -2.169
  332    HD2  PHE  53           HD2      PHE  53   7.423  -6.399  -2.683
  333    HE1  PHE  53           HE1      PHE  53   4.435  -2.555  -3.355
  334    HE2  PHE  53           HE2      PHE  53   8.239  -4.407  -3.875
  335    HZ   PHE  53           HZ       PHE  53   6.743  -2.479  -4.214
  336    H    LYS  54           HN       LYS  54   1.868  -7.250  -1.287
  337    HA   LYS  54           HA       LYS  54   1.267  -9.172   0.748
  338    HB2  LYS  54           HB2      LYS  54  -0.042  -8.155  -1.708
  339    HB3  LYS  54           HB1      LYS  54  -0.486  -9.783  -1.215
  340    HG2  LYS  54           HG2      LYS  54  -1.630  -9.072   0.587
  341    HG3  LYS  54           HG1      LYS  54  -0.497  -7.763   0.924
  342    HD2  LYS  54           HD2      LYS  54  -1.600  -6.919  -1.412
  343    HD3  LYS  54           HD1      LYS  54  -2.962  -7.768  -0.677
  344    HE2  LYS  54           HE2      LYS  54  -2.733  -6.429   1.339
  345    HE3  LYS  54           HE1      LYS  54  -1.325  -5.615   0.658
  346    HZ1  LYS  54           HZ1      LYS  54  -3.706  -4.563   0.519
  347    HZ2  LYS  54           HZ2      LYS  54  -3.830  -5.541  -0.856
  348    HZ3  LYS  54           HZ3      LYS  54  -2.600  -4.385  -0.750
  349    H    LYS  55           HN       LYS  55   2.534 -10.926   0.873
  350    HA   LYS  55           HA       LYS  55   4.177 -12.166  -0.783
  351    HB2  LYS  55           HB2      LYS  55   3.651 -12.993   1.472
  352    HB3  LYS  55           HB1      LYS  55   2.133 -13.649   0.877
  353    HG2  LYS  55           HG2      LYS  55   3.443 -15.519   0.856
  354    HG3  LYS  55           HG1      LYS  55   3.693 -14.932  -0.789
  355    HD2  LYS  55           HD2      LYS  55   5.846 -14.309  -0.386
  356    HD3  LYS  55           HD1      LYS  55   5.530 -13.922   1.307
  357    HE2  LYS  55           HE2      LYS  55   6.944 -15.844   1.251
  358    HE3  LYS  55           HE1      LYS  55   5.338 -16.372   1.750
  359    HZ1  LYS  55           HZ1      LYS  55   6.715 -17.605  -0.122
  360    HZ2  LYS  55           HZ2      LYS  55   5.940 -16.466  -1.103
  361    HZ3  LYS  55           HZ3      LYS  55   5.025 -17.527  -0.155
  362    H    ALA  56           HN       ALA  56   4.201 -13.092  -2.724
  363    HA   ALA  56           HA       ALA  56   2.256 -13.004  -4.575
  364    HB1  ALA  56           HB1      ALA  56   4.264 -13.672  -5.458
  365    HB2  ALA  56           HB2      ALA  56   3.349 -15.179  -5.521
  366    HB3  ALA  56           HB3      ALA  56   4.518 -14.909  -4.226
  367    H    GLY  57           HN       GLY  57   0.435 -14.028  -5.086
  368    HA2  GLY  57           HA2      GLY  57  -0.876 -16.101  -5.130
  369    HA3  GLY  57           HA1      GLY  57  -0.250 -16.448  -3.521
  370    H    THR  58           HN       THR  58  -0.631 -13.345  -3.182
  371    HA   THR  58           HA       THR  58  -3.204 -13.574  -1.909
  372    HB   THR  58           HB       THR  58  -1.372 -11.185  -2.261
  373    HG1  THR  58           HG1      THR  58  -0.856 -11.651  -0.068
  374   HG21  THR  58          HG21      THR  58  -3.063 -11.097   0.052
  375   HG22  THR  58          HG22      THR  58  -4.029 -11.213  -1.422
  376   HG23  THR  58          HG23      THR  58  -2.851  -9.909  -1.236
  377    H    VAL  59           HN       VAL  59  -5.075 -13.270  -2.953
  378    HA   VAL  59           HA       VAL  59  -5.101 -12.154  -5.589
  379    HB   VAL  59           HB       VAL  59  -6.596 -14.009  -5.040
  380   HG11  VAL  59          HG11      VAL  59  -8.041 -14.054  -3.316
  381   HG12  VAL  59          HG12      VAL  59  -8.482 -12.357  -3.503
  382   HG13  VAL  59          HG13      VAL  59  -6.995 -12.794  -2.662
  383   HG21  VAL  59          HG21      VAL  59  -8.626 -11.947  -5.482
  384   HG22  VAL  59          HG22      VAL  59  -8.158 -13.316  -6.491
  385   HG23  VAL  59          HG23      VAL  59  -7.223 -11.822  -6.543
  386    H    CYS  60           HN       CYS  60  -5.158 -10.053  -6.023
  387    HA   CYS  60           HA       CYS  60  -6.288  -8.224  -4.027
  388    HB2  CYS  60           HB2      CYS  60  -4.687  -7.473  -6.466
  389    HB3  CYS  60           HB1      CYS  60  -5.049  -6.466  -5.071
  390    H    ARG  61           HN       ARG  61  -6.778  -9.431  -7.240
  391    HA   ARG  61           HA       ARG  61  -9.280  -7.940  -7.417
  392    HB2  ARG  61           HB2      ARG  61  -7.015  -7.093  -8.812
  393    HB3  ARG  61           HB1      ARG  61  -7.965  -7.962 -10.009
  394    HG2  ARG  61           HG2      ARG  61  -9.911  -6.490  -8.956
  395    HG3  ARG  61           HG1      ARG  61  -8.551  -5.435  -8.582
  396    HD2  ARG  61           HD2      ARG  61  -9.722  -6.185 -11.204
  397    HD3  ARG  61           HD1      ARG  61  -9.098  -4.635 -10.650
  398    HE   ARG  61           HE       ARG  61  -7.707  -6.517 -12.190
  399   HH11  ARG  61          HH11      ARG  61  -7.198  -4.420  -9.442
  400   HH12  ARG  61          HH12      ARG  61  -5.489  -4.310  -9.690
  401   HH21  ARG  61          HH21      ARG  61  -5.464  -6.374 -12.511
  402   HH22  ARG  61          HH22      ARG  61  -4.504  -5.415 -11.434
  403    H    ILE  62           HN       ILE  62 -10.288  -8.612  -9.723
  404    HA   ILE  62           HA       ILE  62  -9.806 -11.131 -10.792
  405    HB   ILE  62           HB       ILE  62 -10.423 -12.061  -8.643
  406   HG12  ILE  62          HG12      ILE  62 -12.345 -13.480  -9.348
  407   HG13  ILE  62          HG11      ILE  62 -12.592 -12.408 -10.722
  408   HG21  ILE  62          HG21      ILE  62 -12.298 -11.532  -7.429
  409   HG22  ILE  62          HG22      ILE  62 -13.195 -10.994  -8.851
  410   HG23  ILE  62          HG23      ILE  62 -11.927  -9.974  -8.170
  411   HD11  ILE  62          HD11      ILE  62 -10.254 -14.210 -10.187
  412   HD12  ILE  62          HD12      ILE  62 -10.249 -12.963 -11.434
  413   HD13  ILE  62          HD13      ILE  62 -11.411 -14.288 -11.515
  414    H    ALA  63           HN       ALA  63 -10.961 -11.354 -12.605
  415    HA   ALA  63           HA       ALA  63 -12.532  -9.208 -13.501
  416    HB1  ALA  63           HB1      ALA  63 -13.086 -11.390 -15.177
  417    HB2  ALA  63           HB2      ALA  63 -11.419 -11.583 -14.633
  418    HB3  ALA  63           HB3      ALA  63 -11.921 -10.094 -15.429
  419    H    ARG  64           HN       ARG  64 -14.008 -12.341 -14.030
  420    HA   ARG  64           HA       ARG  64 -16.138 -11.720 -12.133
  421    HB2  ARG  64           HB2      ARG  64 -16.408 -11.762 -15.096
  422    HB3  ARG  64           HB1      ARG  64 -17.714 -12.464 -14.151
  423    HG2  ARG  64           HG2      ARG  64 -18.459 -10.323 -14.319
  424    HG3  ARG  64           HG1      ARG  64 -17.523 -10.194 -12.829
  425    HD2  ARG  64           HD2      ARG  64 -16.574  -8.440 -13.871
  426    HD3  ARG  64           HD1      ARG  64 -15.605  -9.684 -14.660
  427    HE   ARG  64           HE       ARG  64 -16.616  -9.137 -16.625
  428   HH11  ARG  64          HH11      ARG  64 -18.653  -8.041 -14.012
  429   HH12  ARG  64          HH12      ARG  64 -19.784  -7.252 -15.058
  430   HH21  ARG  64          HH21      ARG  64 -18.104  -8.099 -18.003
  431   HH22  ARG  64          HH22      ARG  64 -19.473  -7.285 -17.324
  432    H    GLY  65           HN       GLY  65 -15.357 -13.559 -10.980
  433    HA2  GLY  65           HA2      GLY  65 -16.442 -15.802 -10.688
  434    HA3  GLY  65           HA1      GLY  65 -15.914 -16.122 -12.335
  435    H    ASP  66           HN       ASP  66 -13.950 -16.940 -12.677
  436    HA   ASP  66           HA       ASP  66 -11.677 -16.548 -11.145
  437    HB2  ASP  66           HB2      ASP  66 -11.529 -18.813 -10.020
  438    HB3  ASP  66           HB1      ASP  66 -12.678 -17.687  -9.305
  439    H    TRP  67           HN       TRP  67 -10.740 -16.492 -13.133
  440    HA   TRP  67           HA       TRP  67 -10.478 -19.074 -14.534
  441    HB2  TRP  67           HB2      TRP  67  -9.778 -17.006 -16.322
  442    HB3  TRP  67           HB1      TRP  67 -11.199 -18.040 -16.390
  443    HD1  TRP  67           HD1      TRP  67 -10.211 -14.716 -14.578
  444    HE1  TRP  67           HE1      TRP  67 -12.278 -13.211 -14.562
  445    HE3  TRP  67           HE3      TRP  67 -13.520 -17.862 -16.862
  446    HZ2  TRP  67           HZ2      TRP  67 -14.956 -13.320 -15.418
  447    HZ3  TRP  67           HZ3      TRP  67 -15.825 -17.080 -17.236
  448    HH2  TRP  67           HH2      TRP  67 -16.528 -14.851 -16.526
  449    H    ASN  68           HN       ASN  68  -8.878 -15.941 -14.571
  450    HA   ASN  68           HA       ASN  68  -6.266 -17.266 -14.370
  451    HB2  ASN  68           HB2      ASN  68  -6.592 -14.370 -15.049
  452    HB3  ASN  68           HB1      ASN  68  -5.338 -15.498 -15.554
  453   HD21  ASN  68          HD21      ASN  68  -8.776 -14.758 -15.952
  454   HD22  ASN  68          HD22      ASN  68  -8.892 -15.326 -17.578
  455    H    ASP  69           HN       ASP  69  -8.407 -14.942 -12.924
  456    HA   ASP  69           HA       ASP  69  -8.420 -13.900 -10.907
  457    HB2  ASP  69           HB2      ASP  69  -6.360 -16.017 -10.391
  458    HB3  ASP  69           HB1      ASP  69  -6.817 -14.845  -9.163
  459    H    ASP  70           HN       ASP  70  -7.089 -12.633  -9.374
  460    HA   ASP  70           HA       ASP  70  -4.753 -11.475 -10.723
  461    HB2  ASP  70           HB2      ASP  70  -6.743  -9.950 -10.659
  462    HB3  ASP  70           HB1      ASP  70  -6.684 -10.033  -8.905
  463    H    TYR  71           HN       TYR  71  -2.948 -11.935  -9.657
  464    HA   TYR  71           HA       TYR  71  -3.109 -12.093  -6.726
  465    HB2  TYR  71           HB2      TYR  71  -1.870 -14.031  -8.648
  466    HB3  TYR  71           HB1      TYR  71  -1.392 -13.962  -6.954
  467    HD1  TYR  71           HD1      TYR  71  -3.205 -14.203  -5.220
  468    HD2  TYR  71           HD2      TYR  71  -3.758 -15.266  -9.289
  469    HE1  TYR  71           HE1      TYR  71  -5.075 -15.630  -4.565
  470    HE2  TYR  71           HE2      TYR  71  -5.644 -16.705  -8.673
  471    HH   TYR  71           HH       TYR  71  -7.345 -16.744  -6.635
  472    H    CYS  72           HN       CYS  72  -1.409 -11.455  -5.552
  473    HA   CYS  72           HA       CYS  72   0.363  -9.556  -6.693
  474    HB2  CYS  72           HB2      CYS  72  -0.551  -9.632  -4.306
  475    HB3  CYS  72           HB1      CYS  72   0.678 -10.854  -3.992
  476    H    THR  73           HN       THR  73   2.759  -9.682  -6.458
  477    HA   THR  73           HA       THR  73   3.724 -12.428  -6.920
  478    HB   THR  73           HB       THR  73   5.145 -11.695  -8.645
  479    HG1  THR  73           HG1      THR  73   6.000  -9.847  -7.764
  480   HG21  THR  73          HG21      THR  73   3.674 -11.179 -10.242
  481   HG22  THR  73          HG22      THR  73   3.109  -9.738  -9.397
  482   HG23  THR  73          HG23      THR  73   2.476 -11.325  -8.956
  483    H    GLY  74           HN       GLY  74   3.734 -10.238  -4.624
  484    HA2  GLY  74           HA2      GLY  74   5.146  -9.618  -2.926
  485    HA3  GLY  74           HA1      GLY  74   5.905 -11.176  -3.209
  486    H    LYS  75           HN       LYS  75   5.884  -8.798  -5.742
  487    HA   LYS  75           HA       LYS  75   8.629  -8.007  -5.086
  488    HB2  LYS  75           HB2      LYS  75   7.815  -8.937  -7.839
  489    HB3  LYS  75           HB1      LYS  75   9.426  -8.472  -7.309
  490    HG2  LYS  75           HG2      LYS  75   8.696 -10.499  -5.564
  491    HG3  LYS  75           HG1      LYS  75   8.084 -11.026  -7.133
  492    HD2  LYS  75           HD2      LYS  75  10.278 -10.747  -8.119
  493    HD3  LYS  75           HD1      LYS  75  10.907 -10.105  -6.600
  494    HE2  LYS  75           HE2      LYS  75   9.906 -12.899  -7.128
  495    HE3  LYS  75           HE1      LYS  75  11.566 -12.407  -6.798
  496    HZ1  LYS  75           HZ1      LYS  75  10.770 -11.631  -4.590
  497    HZ2  LYS  75           HZ2      LYS  75  10.657 -13.304  -4.813
  498    HZ3  LYS  75           HZ3      LYS  75   9.270 -12.342  -4.921
  499    H    SER  76           HN       SER  76   5.680  -6.878  -5.526
  500    HA   SER  76           HA       SER  76   6.540  -4.270  -6.219
  501    HB2  SER  76           HB2      SER  76   6.358  -5.644  -8.467
  502    HB3  SER  76           HB1      SER  76   4.636  -5.313  -8.276
  503    HG   SER  76           HG       SER  76   5.396  -3.604  -9.392
  504    H    SER  77           HN       SER  77   4.662  -2.745  -6.442
  505    HA   SER  77           HA       SER  77   2.662  -3.445  -4.458
  506    HB2  SER  77           HB2      SER  77   2.123  -0.858  -5.381
  507    HB3  SER  77           HB1      SER  77   3.014  -1.294  -3.924
  508    HG   SER  77           HG       SER  77   4.876  -0.921  -4.924
  509    H    ASP  78           HN       ASP  78   2.783  -4.228  -7.522
  510    HA   ASP  78           HA       ASP  78  -0.004  -3.485  -8.109
  511    HB2  ASP  78           HB2      ASP  78   2.396  -3.870  -9.831
  512    HB3  ASP  78           HB1      ASP  78   0.835  -4.348 -10.493
  513    H    CYS  79           HN       CYS  79  -1.460  -5.044  -8.724
  514    HA   CYS  79           HA       CYS  79  -0.601  -7.842  -8.338
  515    HB2  CYS  79           HB2      CYS  79  -2.603  -6.323  -6.993
  516    HB3  CYS  79           HB1      CYS  79  -3.417  -7.558  -7.949
  517    HA   PRO  80           HA       PRO  80  -1.955  -7.789 -12.696
  518    HB2  PRO  80           HB2      PRO  80  -0.856 -10.203 -13.314
  519    HB3  PRO  80           HB1      PRO  80   0.067  -8.697 -13.286
  520    HG2  PRO  80           HG2      PRO  80  -0.138 -10.829 -11.194
  521    HG3  PRO  80           HG1      PRO  80   1.298  -9.964 -11.773
  522    HD2  PRO  80           HD2      PRO  80   0.068  -9.304  -9.470
  523    HD3  PRO  80           HD1      PRO  80   0.831  -8.085 -10.510
  524    H    TRP  81           HN       TRP  81  -3.911  -8.395 -13.333
  525    HA   TRP  81           HA       TRP  81  -5.253 -10.597 -11.983
  526    HB2  TRP  81           HB2      TRP  81  -7.323  -9.713 -12.943
  527    HB3  TRP  81           HB1      TRP  81  -6.457  -8.509 -12.004
  528    HD1  TRP  81           HD1      TRP  81  -4.477  -8.173 -14.870
  529    HE1  TRP  81           HE1      TRP  81  -5.418  -6.479 -16.559
  530    HE3  TRP  81           HE3      TRP  81  -9.273  -7.985 -13.207
  531    HZ2  TRP  81           HZ2      TRP  81  -7.890  -5.226 -17.102
  532    HZ3  TRP  81           HZ3      TRP  81 -10.886  -6.517 -14.359
  533    HH2  TRP  81           HH2      TRP  81 -10.202  -5.166 -16.276
  534    H    ASN  82           HN       ASN  82  -3.741  -9.976 -14.895
  535    HA   ASN  82           HA       ASN  82  -3.449 -11.159 -16.815
  536    HB2  ASN  82           HB2      ASN  82  -4.680 -13.351 -15.134
  537    HB3  ASN  82           HB1      ASN  82  -3.964 -13.607 -16.722
  538   HD21  ASN  82          HD21      ASN  82  -3.237 -14.623 -14.046
  539   HD22  ASN  82          HD22      ASN  82  -1.576 -14.198 -13.832
  540    H    HIS  83           HN       HIS  83  -5.706  -9.526 -16.678
  541    HA   HIS  83           HA       HIS  83  -7.532 -10.989 -18.456
  542    HB2  HIS  83           HB2      HIS  83  -8.462  -8.972 -16.408
  543    HB3  HIS  83           HB1      HIS  83  -9.464  -9.986 -17.444
  544    HD1  HIS  83           HD1      HIS  83  -9.144  -9.831 -14.149
  545    HD2  HIS  83           HD2      HIS  83  -8.046 -12.874 -16.752
  546    HE1  HIS  83           HE1      HIS  83  -9.059 -11.915 -12.748
  547    HE2  HIS  83           HE2      HIS  83  -8.309 -13.726 -14.329
  Start of MODEL   12
    1    H1   SER   1           HT1      SER   1  -2.962  13.808  21.145
    2    H2   SER   1           HT2      SER   1  -2.394  15.341  21.670
    3    H3   SER   1           HT3      SER   1  -1.411  14.358  20.664
    4    HA   SER   1           HA       SER   1  -3.256  14.496  19.001
    5    HB2  SER   1           HB2      SER   1  -4.627  15.604  21.036
    6    HB3  SER   1           HB1      SER   1  -3.987  17.072  20.295
    7    HG   SER   1           HG       SER   1  -5.424  16.848  18.795
    8    HA   PRO   2           HA       PRO   2   0.304  17.251  18.093
    9    HB2  PRO   2           HB2      PRO   2   1.194  15.477  16.066
   10    HB3  PRO   2           HB1      PRO   2   1.896  15.708  17.666
   11    HG2  PRO   2           HG2      PRO   2   0.624  13.394  16.754
   12    HG3  PRO   2           HG1      PRO   2   0.991  13.783  18.442
   13    HD2  PRO   2           HD2      PRO   2  -1.576  14.037  16.949
   14    HD3  PRO   2           HD1      PRO   2  -1.294  13.643  18.658
   15    HA   PRO   3           HA       PRO   3  -1.334  18.965  14.361
   16    HB2  PRO   3           HB2      PRO   3   0.776  20.133  13.212
   17    HB3  PRO   3           HB1      PRO   3   0.168  20.676  14.781
   18    HG2  PRO   3           HG2      PRO   3   2.516  18.930  14.158
   19    HG3  PRO   3           HG1      PRO   3   2.373  20.231  15.354
   20    HD2  PRO   3           HD2      PRO   3   2.147  17.543  15.933
   21    HD3  PRO   3           HD1      PRO   3   1.453  18.845  16.918
   22    H    VAL   4           HN       VAL   4  -1.991  18.211  12.454
   23    HA   VAL   4           HA       VAL   4  -1.093  15.917  11.298
   24    HB   VAL   4           HB       VAL   4  -3.305  16.987  10.994
   25   HG11  VAL   4          HG11      VAL   4  -2.204  19.277  10.553
   26   HG12  VAL   4          HG12      VAL   4  -3.683  18.855   9.691
   27   HG13  VAL   4          HG13      VAL   4  -2.124  18.735   8.878
   28   HG21  VAL   4          HG21      VAL   4  -3.530  16.477   8.580
   29   HG22  VAL   4          HG22      VAL   4  -2.776  15.207   9.533
   30   HG23  VAL   4          HG23      VAL   4  -1.786  16.255   8.515
   31    H    CYS   5           HN       CYS   5   1.136  15.959  11.053
   32    HA   CYS   5           HA       CYS   5   2.527  18.023   9.689
   33    HB2  CYS   5           HB2      CYS   5   3.882  15.450   9.492
   34    HB3  CYS   5           HB1      CYS   5   4.392  16.917  10.304
   35    H    GLY   6           HN       GLY   6   1.713  18.493   7.729
   36    HA2  GLY   6           HA2      GLY   6   1.961  18.217   5.385
   37    HA3  GLY   6           HA1      GLY   6   2.094  16.482   5.630
   38    H    ASN   7           HN       ASN   7  -0.410  17.890   7.443
   39    HA   ASN   7           HA       ASN   7  -2.676  17.779   7.347
   40    HB2  ASN   7           HB2      ASN   7  -1.872  18.501   4.587
   41    HB3  ASN   7           HB1      ASN   7  -3.492  17.823   4.741
   42   HD21  ASN   7          HD21      ASN   7  -5.084  19.027   5.619
   43   HD22  ASN   7          HD22      ASN   7  -4.886  20.657   6.156
   44    H    LYS   8           HN       LYS   8  -4.332  16.232   7.150
   45    HA   LYS   8           HA       LYS   8  -3.626  13.576   7.055
   46    HB2  LYS   8           HB2      LYS   8  -5.885  14.845   7.708
   47    HB3  LYS   8           HB1      LYS   8  -6.362  14.279   6.113
   48    HG2  LYS   8           HG2      LYS   8  -5.140  12.329   7.992
   49    HG3  LYS   8           HG1      LYS   8  -6.803  12.848   8.276
   50    HD2  LYS   8           HD2      LYS   8  -6.148  12.108   5.498
   51    HD3  LYS   8           HD1      LYS   8  -6.120  10.788   6.669
   52    HE2  LYS   8           HE2      LYS   8  -8.413  12.675   6.147
   53    HE3  LYS   8           HE1      LYS   8  -8.322  10.982   5.665
   54    HZ1  LYS   8           HZ1      LYS   8  -8.885  12.142   8.268
   55    HZ2  LYS   8           HZ2      LYS   8  -7.901  10.766   8.278
   56    HZ3  LYS   8           HZ3      LYS   8  -9.441  10.699   7.581
   57    H    ILE   9           HN       ILE   9  -2.572  12.651   5.392
   58    HA   ILE   9           HA       ILE   9  -2.584  13.420   2.757
   59    HB   ILE   9           HB       ILE   9  -1.973  11.185   2.034
   60   HG12  ILE   9          HG12      ILE   9  -3.567  10.274   4.096
   61   HG13  ILE   9          HG11      ILE   9  -2.497   9.294   3.101
   62   HG21  ILE   9          HG21      ILE   9  -0.206  12.473   2.856
   63   HG22  ILE   9          HG22      ILE   9  -0.011  10.878   3.581
   64   HG23  ILE   9          HG23      ILE   9  -0.682  12.200   4.531
   65   HD11  ILE   9          HD11      ILE   9  -1.861  10.491   5.781
   66   HD12  ILE   9          HD12      ILE   9  -0.722   9.601   4.772
   67   HD13  ILE   9          HD13      ILE   9  -2.150   8.793   5.417
   68    H    LEU  10           HN       LEU  10  -3.843  13.303   1.048
   69    HA   LEU  10           HA       LEU  10  -6.496  12.161   1.429
   70    HB2  LEU  10           HB2      LEU  10  -7.055  13.536  -0.614
   71    HB3  LEU  10           HB1      LEU  10  -6.626  14.432   0.830
   72    HG   LEU  10           HG       LEU  10  -5.690  15.197  -1.453
   73   HD11  LEU  10          HD11      LEU  10  -4.846  15.501   1.157
   74   HD12  LEU  10          HD12      LEU  10  -4.337  16.462  -0.231
   75   HD13  LEU  10          HD13      LEU  10  -3.375  15.076   0.281
   76   HD21  LEU  10          HD21      LEU  10  -3.669  13.053  -0.825
   77   HD22  LEU  10          HD22      LEU  10  -3.619  14.209  -2.155
   78   HD23  LEU  10          HD23      LEU  10  -4.863  12.960  -2.120
   79    H    GLU  11           HN       GLU  11  -3.803  10.930   0.463
   80    HA   GLU  11           HA       GLU  11  -4.867   8.845  -1.042
   81    HB2  GLU  11           HB2      GLU  11  -4.129   9.302  -3.284
   82    HB3  GLU  11           HB1      GLU  11  -5.152  10.629  -2.757
   83    HG2  GLU  11           HG2      GLU  11  -2.837  11.676  -2.055
   84    HG3  GLU  11           HG1      GLU  11  -2.238  10.577  -3.297
   85    H    GLN  12           HN       GLN  12  -2.871   9.304   1.051
   86    HA   GLN  12           HA       GLN  12  -0.597   8.008  -0.293
   87    HB2  GLN  12           HB2      GLN  12  -0.250   9.813   2.085
   88    HB3  GLN  12           HB1      GLN  12   0.985   9.194   1.006
   89    HG2  GLN  12           HG2      GLN  12  -1.142  11.196   0.279
   90    HG3  GLN  12           HG1      GLN  12   0.543  11.565   0.645
   91   HE21  GLN  12          HE21      GLN  12   0.515  12.560  -1.473
   92   HE22  GLN  12          HE22      GLN  12   0.776  11.582  -2.873
   93    H    GLY  13           HN       GLY  13  -0.689   8.619   3.159
   94    HA2  GLY  13           HA2      GLY  13  -1.176   7.159   4.927
   95    HA3  GLY  13           HA1      GLY  13  -1.536   5.898   3.753
   96    H    GLU  14           HN       GLU  14   1.296   7.560   3.084
   97    HA   GLU  14           HA       GLU  14   3.348   6.721   4.582
   98    HB2  GLU  14           HB2      GLU  14   2.106   4.384   3.448
   99    HB3  GLU  14           HB1      GLU  14   3.714   4.579   2.772
  100    HG2  GLU  14           HG2      GLU  14   4.664   4.665   5.006
  101    HG3  GLU  14           HG1      GLU  14   3.053   4.483   5.701
  102    H    ASP  15           HN       ASP  15   1.977   7.172   1.465
  103    HA   ASP  15           HA       ASP  15   4.241   7.241  -0.150
  104    HB2  ASP  15           HB2      ASP  15   1.540   7.744  -0.470
  105    HB3  ASP  15           HB1      ASP  15   2.273   9.314  -0.773
  106    H    CYS  16           HN       CYS  16   2.718   9.821   1.751
  107    HA   CYS  16           HA       CYS  16   4.977  11.083   2.608
  108    HB2  CYS  16           HB2      CYS  16   5.885  11.663   0.592
  109    HB3  CYS  16           HB1      CYS  16   4.327  11.738  -0.216
  110    H    ASP  17           HN       ASP  17   4.602  13.313   3.361
  111    HA   ASP  17           HA       ASP  17   3.393  14.673   4.714
  112    HB2  ASP  17           HB2      ASP  17   1.668  15.936   3.583
  113    HB3  ASP  17           HB1      ASP  17   2.989  15.632   2.460
  114    H    CYS  18           HN       CYS  18   2.948  12.003   5.335
  115    HA   CYS  18           HA       CYS  18   0.520  10.888   5.442
  116    HB2  CYS  18           HB2      CYS  18   2.807  10.558   6.926
  117    HB3  CYS  18           HB1      CYS  18   1.624  11.014   8.154
  118    H    GLY  19           HN       GLY  19   1.443  13.782   7.206
  119    HA2  GLY  19           HA2      GLY  19   0.139  15.353   8.279
  120    HA3  GLY  19           HA1      GLY  19  -1.225  14.661   7.425
  121    H    SER  20           HN       SER  20  -1.897  12.418   8.339
  122    HA   SER  20           HA       SER  20  -2.911  12.811  10.850
  123    HB2  SER  20           HB2      SER  20  -3.501  10.496  10.893
  124    HB3  SER  20           HB1      SER  20  -3.645  11.062   9.231
  125    HG   SER  20           HG       SER  20  -2.208   9.640   8.682
  126    HA   PRO  21           HA       PRO  21   0.973  12.803  13.070
  127    HB2  PRO  21           HB2      PRO  21  -1.003  13.218  15.262
  128    HB3  PRO  21           HB1      PRO  21   0.475  14.113  14.894
  129    HG2  PRO  21           HG2      PRO  21  -1.902  15.154  14.313
  130    HG3  PRO  21           HG1      PRO  21  -0.535  15.344  13.199
  131    HD2  PRO  21           HD2      PRO  21  -2.881  13.498  13.022
  132    HD3  PRO  21           HD1      PRO  21  -2.057  14.384  11.723
  133    H    ALA  22           HN       ALA  22  -1.921  10.938  13.779
  134    HA   ALA  22           HA       ALA  22  -0.989   9.290  15.809
  135    HB1  ALA  22           HB1      ALA  22  -3.312   9.411  14.620
  136    HB2  ALA  22           HB2      ALA  22  -2.773   7.899  15.350
  137    HB3  ALA  22           HB3      ALA  22  -2.643   8.132  13.606
  138    H    ASN  23           HN       ASN  23  -0.116   9.436  12.477
  139    HA   ASN  23           HA       ASN  23   1.528   7.014  12.767
  140    HB2  ASN  23           HB2      ASN  23   0.536   8.247  10.190
  141    HB3  ASN  23           HB1      ASN  23   1.373   6.707  10.377
  142   HD21  ASN  23          HD21      ASN  23  -0.721   6.288   9.070
  143   HD22  ASN  23          HD22      ASN  23  -2.061   5.725  10.004
  144    H    CYS  24           HN       CYS  24   1.556  10.407  12.330
  145    HA   CYS  24           HA       CYS  24   3.853  10.846  10.828
  146    HB2  CYS  24           HB2      CYS  24   2.231  12.592  11.613
  147    HB3  CYS  24           HB1      CYS  24   2.955  12.481  13.211
  148    H    GLN  25           HN       GLN  25   5.472   9.387  11.274
  149    HA   GLN  25           HA       GLN  25   7.355   8.589  12.262
  150    HB2  GLN  25           HB2      GLN  25   7.034  11.264  13.547
  151    HB3  GLN  25           HB1      GLN  25   8.224  10.155  14.214
  152    HG2  GLN  25           HG2      GLN  25   8.220  10.654  11.283
  153    HG3  GLN  25           HG1      GLN  25   8.865  11.892  12.359
  154   HE21  GLN  25          HE21      GLN  25  10.517  11.154  13.919
  155   HE22  GLN  25          HE22      GLN  25  11.649   9.957  13.397
  156    H    ASP  26           HN       ASP  26   5.565   7.015  13.011
  157    HA   ASP  26           HA       ASP  26   6.169   6.188  15.623
  158    HB2  ASP  26           HB2      ASP  26   3.868   8.002  15.348
  159    HB3  ASP  26           HB1      ASP  26   3.520   6.514  16.222
  160    H    ARG  27           HN       ARG  27   3.778   6.141  13.018
  161    HA   ARG  27           HA       ARG  27   3.079   3.388  13.641
  162    HB2  ARG  27           HB2      ARG  27   1.248   4.843  13.059
  163    HB3  ARG  27           HB1      ARG  27   2.033   5.304  11.557
  164    HG2  ARG  27           HG2      ARG  27   0.344   3.770  10.977
  165    HG3  ARG  27           HG1      ARG  27   1.866   2.884  10.864
  166    HD2  ARG  27           HD2      ARG  27   0.529   2.793  13.487
  167    HD3  ARG  27           HD1      ARG  27  -0.323   1.985  12.171
  168    HE   ARG  27           HE       ARG  27   2.433   1.264  12.255
  169   HH11  ARG  27          HH11      ARG  27  -0.664   0.643  13.738
  170   HH12  ARG  27          HH12      ARG  27  -0.242  -0.959  14.241
  171   HH21  ARG  27          HH21      ARG  27   2.990  -0.843  12.915
  172   HH22  ARG  27          HH22      ARG  27   1.832  -1.803  13.775
  173    H    CYS  28           HN       CYS  28   3.345   4.588  10.343
  174    HA   CYS  28           HA       CYS  28   5.760   3.103   9.820
  175    HB2  CYS  28           HB2      CYS  28   3.694   1.493   9.803
  176    HB3  CYS  28           HB1      CYS  28   3.368   2.228   8.238
  177    H    CYS  29           HN       CYS  29   4.606   5.843   9.516
  178    HA   CYS  29           HA       CYS  29   5.406   6.204   6.722
  179    HB2  CYS  29           HB2      CYS  29   3.551   7.639   6.204
  180    HB3  CYS  29           HB1      CYS  29   2.914   6.105   6.788
  181    H    ASN  30           HN       ASN  30   5.822   8.459   6.186
  182    HA   ASN  30           HA       ASN  30   6.884   9.920   8.508
  183    HB2  ASN  30           HB2      ASN  30   7.907   9.586   5.705
  184    HB3  ASN  30           HB1      ASN  30   8.374  10.966   6.676
  185   HD21  ASN  30          HD21      ASN  30   8.674   9.935   9.142
  186   HD22  ASN  30          HD22      ASN  30   9.928   8.747   9.159
  187    H    ALA  31           HN       ALA  31   5.211  11.195   8.952
  188    HA   ALA  31           HA       ALA  31   3.881  12.741   6.896
  189    HB1  ALA  31           HB1      ALA  31   3.153  13.837   9.342
  190    HB2  ALA  31           HB2      ALA  31   3.394  12.131   9.691
  191    HB3  ALA  31           HB3      ALA  31   2.263  12.621   8.440
  192    H    ALA  32           HN       ALA  32   6.588  12.977   8.950
  193    HA   ALA  32           HA       ALA  32   6.825  15.878   8.525
  194    HB1  ALA  32           HB1      ALA  32   7.058  14.856  10.847
  195    HB2  ALA  32           HB2      ALA  32   8.350  15.937  10.322
  196    HB3  ALA  32           HB3      ALA  32   8.590  14.189  10.279
  197    H    THR  33           HN       THR  33   7.842  12.906   7.318
  198    HA   THR  33           HA       THR  33  10.245  14.095   6.126
  199    HB   THR  33           HB       THR  33  10.134  11.212   5.934
  200    HG1  THR  33           HG1      THR  33  10.572  11.107   8.340
  201   HG21  THR  33          HG21      THR  33  12.291  11.289   6.859
  202   HG22  THR  33          HG22      THR  33  12.023  12.906   7.512
  203   HG23  THR  33          HG23      THR  33  12.150  12.667   5.768
  204    H    CYS  34           HN       CYS  34   7.183  13.618   5.358
  205    HA   CYS  34           HA       CYS  34   5.994  13.178   3.475
  206    HB2  CYS  34           HB2      CYS  34   6.902  15.264   2.829
  207    HB3  CYS  34           HB1      CYS  34   8.463  14.554   2.444
  208    H    LYS  35           HN       LYS  35   6.873  10.799   4.203
  209    HA   LYS  35           HA       LYS  35   6.991   9.359   1.789
  210    HB2  LYS  35           HB2      LYS  35   9.555  10.089   2.999
  211    HB3  LYS  35           HB1      LYS  35   9.375   8.367   2.687
  212    HG2  LYS  35           HG2      LYS  35   8.490   9.976   0.450
  213    HG3  LYS  35           HG1      LYS  35  10.172  10.294   0.880
  214    HD2  LYS  35           HD2      LYS  35  10.750   7.999   0.628
  215    HD3  LYS  35           HD1      LYS  35   9.054   7.525   0.497
  216    HE2  LYS  35           HE2      LYS  35   9.804   7.494  -1.708
  217    HE3  LYS  35           HE1      LYS  35   8.999   9.055  -1.562
  218    HZ1  LYS  35           HZ1      LYS  35  11.476   9.723  -0.880
  219    HZ2  LYS  35           HZ2      LYS  35  10.910   9.779  -2.473
  220    HZ3  LYS  35           HZ3      LYS  35  11.814   8.451  -1.944
  221    H    LEU  36           HN       LEU  36   7.820   6.995   2.310
  222    HA   LEU  36           HA       LEU  36   6.183   6.099   4.528
  223    HB2  LEU  36           HB2      LEU  36   6.830   3.820   3.715
  224    HB3  LEU  36           HB1      LEU  36   6.004   4.811   2.528
  225    HG   LEU  36           HG       LEU  36   8.915   5.043   2.388
  226   HD11  LEU  36          HD11      LEU  36   9.132   2.802   1.258
  227   HD12  LEU  36          HD12      LEU  36   7.594   2.369   2.006
  228   HD13  LEU  36          HD13      LEU  36   8.985   2.765   3.016
  229   HD21  LEU  36          HD21      LEU  36   7.254   5.905   0.737
  230   HD22  LEU  36          HD22      LEU  36   6.885   4.232   0.316
  231   HD23  LEU  36          HD23      LEU  36   8.505   4.874   0.040
  232    H    THR  37           HN       THR  37   7.081   4.501   6.120
  233    HA   THR  37           HA       THR  37   9.526   5.560   7.196
  234    HB   THR  37           HB       THR  37   9.100   3.638   8.907
  235    HG1  THR  37           HG1      THR  37   7.464   2.454   8.427
  236   HG21  THR  37          HG21      THR  37   7.454   6.102   8.547
  237   HG22  THR  37          HG22      THR  37   8.745   5.769   9.704
  238   HG23  THR  37          HG23      THR  37   7.168   5.001   9.897
  239    HA   PRO  38           HA       PRO  38  12.650   2.788   5.903
  240    HB2  PRO  38           HB2      PRO  38  13.689   1.939   8.329
  241    HB3  PRO  38           HB1      PRO  38  14.109   3.450   7.520
  242    HG2  PRO  38           HG2      PRO  38  12.158   2.962   9.729
  243    HG3  PRO  38           HG1      PRO  38  13.308   4.297   9.521
  244    HD2  PRO  38           HD2      PRO  38  10.723   4.629   8.976
  245    HD3  PRO  38           HD1      PRO  38  11.969   5.367   7.948
  246    H    GLY  39           HN       GLY  39  12.703   0.714   5.254
  247    HA2  GLY  39           HA2      GLY  39  12.568  -1.631   5.565
  248    HA3  GLY  39           HA1      GLY  39  11.543  -1.361   6.966
  249    H    SER  40           HN       SER  40   9.793   0.516   5.575
  250    HA   SER  40           HA       SER  40   7.854  -1.274   4.642
  251    HB2  SER  40           HB2      SER  40   8.175   1.707   4.482
  252    HB3  SER  40           HB1      SER  40   6.847   0.914   3.635
  253    HG   SER  40           HG       SER  40   6.085   1.415   5.637
  254    H    GLN  41           HN       GLN  41   7.644  -2.309   2.775
  255    HA   GLN  41           HA       GLN  41   9.472  -1.877   0.625
  256    HB2  GLN  41           HB2      GLN  41   7.601  -3.898   1.419
  257    HB3  GLN  41           HB1      GLN  41   7.300  -3.478  -0.262
  258    HG2  GLN  41           HG2      GLN  41  10.107  -3.953   0.576
  259    HG3  GLN  41           HG1      GLN  41   9.032  -5.343   0.431
  260   HE21  GLN  41          HE21      GLN  41   9.464  -2.344  -1.419
  261   HE22  GLN  41          HE22      GLN  41   9.660  -3.117  -2.952
  262    H    CYS  42           HN       CYS  42   6.045  -1.203   1.154
  263    HA   CYS  42           HA       CYS  42   6.146   0.744  -1.027
  264    HB2  CYS  42           HB2      CYS  42   3.940  -0.040  -1.871
  265    HB3  CYS  42           HB1      CYS  42   5.231  -1.215  -2.101
  266    H    ASN  43           HN       ASN  43   4.651   2.427  -0.849
  267    HA   ASN  43           HA       ASN  43   3.886   3.026   1.845
  268    HB2  ASN  43           HB2      ASN  43   2.908   5.112   0.757
  269    HB3  ASN  43           HB1      ASN  43   4.643   4.876   0.566
  270   HD21  ASN  43          HD21      ASN  43   5.432   5.051  -1.402
  271   HD22  ASN  43          HD22      ASN  43   4.528   4.952  -2.871
  272    H    TYR  44           HN       TYR  44   2.291   1.934  -1.052
  273    HA   TYR  44           HA       TYR  44   0.097   0.831   0.259
  274    HB2  TYR  44           HB2      TYR  44  -1.715   2.342  -0.249
  275    HB3  TYR  44           HB1      TYR  44  -0.503   3.223   0.671
  276    HD1  TYR  44           HD2      TYR  44  -1.559   2.564  -2.845
  277    HD2  TYR  44           HD1      TYR  44   0.235   5.283  -0.109
  278    HE1  TYR  44           HE2      TYR  44  -1.484   4.271  -4.606
  279    HE2  TYR  44           HE1      TYR  44   0.313   7.003  -1.859
  280    HH   TYR  44           HH       TYR  44  -0.987   7.497  -4.019
  281    H    GLY  45           HN       GLY  45  -1.729   0.313  -1.364
  282    HA2  GLY  45           HA2      GLY  45  -1.936   0.430  -3.956
  283    HA3  GLY  45           HA1      GLY  45  -0.407  -0.431  -3.878
  284    H    GLU  46           HN       GLU  46  -2.146  -1.753  -5.229
  285    HA   GLU  46           HA       GLU  46  -4.074  -3.291  -3.910
  286    HB2  GLU  46           HB2      GLU  46  -2.519  -3.588  -6.443
  287    HB3  GLU  46           HB1      GLU  46  -3.464  -4.954  -5.867
  288    HG2  GLU  46           HG2      GLU  46  -5.165  -4.053  -6.973
  289    HG3  GLU  46           HG1      GLU  46  -5.235  -2.867  -5.670
  290    H    CYS  47           HN       CYS  47  -0.633  -3.848  -4.426
  291    HA   CYS  47           HA       CYS  47  -0.746  -6.414  -3.050
  292    HB2  CYS  47           HB2      CYS  47   1.203  -4.978  -4.749
  293    HB3  CYS  47           HB1      CYS  47   1.886  -6.026  -3.513
  294    H    CYS  48           HN       CYS  48  -0.389  -3.189  -2.163
  295    HA   CYS  48           HA       CYS  48   1.585  -3.545  -0.124
  296    HB2  CYS  48           HB2      CYS  48   0.533  -1.368  -1.398
  297    HB3  CYS  48           HB1      CYS  48  -0.244  -1.268   0.179
  298    H    ASP  49           HN       ASP  49   1.367  -4.014   1.961
  299    HA   ASP  49           HA       ASP  49  -1.261  -4.007   3.215
  300    HB2  ASP  49           HB2      ASP  49  -0.739  -6.304   2.136
  301    HB3  ASP  49           HB1      ASP  49   0.431  -6.486   3.439
  302    H    GLN  50           HN       GLN  50  -0.786  -2.611   4.805
  303    HA   GLN  50           HA       GLN  50   0.028  -1.873   6.800
  304    HB2  GLN  50           HB2      GLN  50   0.639  -4.656   6.831
  305    HB3  GLN  50           HB1      GLN  50   2.027  -3.792   7.477
  306    HG2  GLN  50           HG2      GLN  50   0.024  -2.547   8.785
  307    HG3  GLN  50           HG1      GLN  50  -0.664  -4.159   8.592
  308   HE21  GLN  50          HE21      GLN  50   1.615  -5.700   8.755
  309   HE22  GLN  50          HE22      GLN  50   2.272  -5.582  10.349
  310    H    CYS  51           HN       CYS  51   2.943  -3.604   5.728
  311    HA   CYS  51           HA       CYS  51   4.175  -1.136   4.835
  312    HB2  CYS  51           HB2      CYS  51   5.466  -2.698   7.076
  313    HB3  CYS  51           HB1      CYS  51   6.018  -1.182   6.375
  314    H    ARG  52           HN       ARG  52   3.460  -3.880   3.820
  315    HA   ARG  52           HA       ARG  52   5.938  -4.334   2.406
  316    HB2  ARG  52           HB2      ARG  52   5.647  -5.779   4.685
  317    HB3  ARG  52           HB1      ARG  52   4.863  -6.846   3.527
  318    HG2  ARG  52           HG2      ARG  52   6.940  -7.633   3.229
  319    HG3  ARG  52           HG1      ARG  52   7.115  -6.229   2.174
  320    HD2  ARG  52           HD2      ARG  52   7.731  -5.099   4.527
  321    HD3  ARG  52           HD1      ARG  52   8.251  -6.752   4.854
  322    HE   ARG  52           HE       ARG  52   9.266  -5.953   2.362
  323   HH11  ARG  52          HH11      ARG  52   9.676  -5.269   5.760
  324   HH12  ARG  52          HH12      ARG  52  11.336  -4.807   5.594
  325   HH21  ARG  52          HH21      ARG  52  11.450  -5.346   2.143
  326   HH22  ARG  52          HH22      ARG  52  12.344  -4.849   3.541
  327    H    PHE  53           HN       PHE  53   5.590  -6.357   0.891
  328    HA   PHE  53           HA       PHE  53   3.140  -5.810  -0.554
  329    HB2  PHE  53           HB2      PHE  53   5.597  -7.438  -1.176
  330    HB3  PHE  53           HB1      PHE  53   4.164  -7.500  -2.198
  331    HD1  PHE  53           HD2      PHE  53   3.368  -4.601  -1.977
  332    HD2  PHE  53           HD1      PHE  53   7.131  -6.468  -2.658
  333    HE1  PHE  53           HE2      PHE  53   4.134  -2.605  -3.172
  334    HE2  PHE  53           HE1      PHE  53   7.907  -4.465  -3.860
  335    HZ   PHE  53           HZ       PHE  53   6.408  -2.528  -4.120
  336    H    LYS  54           HN       LYS  54   1.645  -7.396  -1.220
  337    HA   LYS  54           HA       LYS  54   1.018  -9.299   0.819
  338    HB2  LYS  54           HB2      LYS  54  -0.183  -8.907  -1.930
  339    HB3  LYS  54           HB1      LYS  54  -0.862  -9.923  -0.666
  340    HG2  LYS  54           HG2      LYS  54  -0.339  -7.126   0.087
  341    HG3  LYS  54           HG1      LYS  54  -1.608  -7.382  -1.112
  342    HD2  LYS  54           HD2      LYS  54  -2.610  -9.072   0.444
  343    HD3  LYS  54           HD1      LYS  54  -1.431  -8.566   1.655
  344    HE2  LYS  54           HE2      LYS  54  -3.143  -7.197   2.251
  345    HE3  LYS  54           HE1      LYS  54  -2.395  -6.172   1.027
  346    HZ1  LYS  54           HZ1      LYS  54  -4.923  -6.592   0.950
  347    HZ2  LYS  54           HZ2      LYS  54  -4.504  -8.077   0.259
  348    HZ3  LYS  54           HZ3      LYS  54  -4.042  -6.635  -0.494
  349    H    LYS  55           HN       LYS  55   2.230 -11.078   1.040
  350    HA   LYS  55           HA       LYS  55   3.991 -12.303  -0.529
  351    HB2  LYS  55           HB2      LYS  55   3.363 -13.106   1.714
  352    HB3  LYS  55           HB1      LYS  55   1.889 -13.797   1.049
  353    HG2  LYS  55           HG2      LYS  55   3.237 -15.640   1.125
  354    HG3  LYS  55           HG1      LYS  55   3.551 -15.073  -0.517
  355    HD2  LYS  55           HD2      LYS  55   5.670 -14.391  -0.022
  356    HD3  LYS  55           HD1      LYS  55   5.269 -14.002   1.652
  357    HE2  LYS  55           HE2      LYS  55   5.074 -16.485   2.055
  358    HE3  LYS  55           HE1      LYS  55   5.773 -16.717   0.454
  359    HZ1  LYS  55           HZ1      LYS  55   7.053 -15.300   2.729
  360    HZ2  LYS  55           HZ2      LYS  55   7.722 -15.463   1.184
  361    HZ3  LYS  55           HZ3      LYS  55   7.472 -16.832   2.145
  362    H    ALA  56           HN       ALA  56   4.103 -13.227  -2.466
  363    HA   ALA  56           HA       ALA  56   2.245 -13.182  -4.402
  364    HB1  ALA  56           HB1      ALA  56   3.395 -15.391  -5.243
  365    HB2  ALA  56           HB2      ALA  56   4.519 -15.034  -3.929
  366    HB3  ALA  56           HB3      ALA  56   4.266 -13.857  -5.218
  367    H    GLY  57           HN       GLY  57   0.402 -14.145  -4.906
  368    HA2  GLY  57           HA2      GLY  57  -0.881 -16.251  -5.020
  369    HA3  GLY  57           HA1      GLY  57  -0.322 -16.585  -3.385
  370    H    THR  58           HN       THR  58  -0.740 -13.480  -3.077
  371    HA   THR  58           HA       THR  58  -3.360 -13.729  -1.910
  372    HB   THR  58           HB       THR  58  -1.558 -11.311  -2.213
  373    HG1  THR  58           HG1      THR  58  -1.908 -13.200  -0.134
  374   HG21  THR  58          HG21      THR  58  -3.081 -10.058  -1.226
  375   HG22  THR  58          HG22      THR  58  -3.344 -11.263   0.036
  376   HG23  THR  58          HG23      THR  58  -4.236 -11.369  -1.484
  377    H    VAL  59           HN       VAL  59  -5.170 -13.533  -3.080
  378    HA   VAL  59           HA       VAL  59  -5.123 -12.410  -5.705
  379    HB   VAL  59           HB       VAL  59  -6.609 -14.285  -5.198
  380   HG11  VAL  59          HG11      VAL  59  -7.114 -13.074  -2.845
  381   HG12  VAL  59          HG12      VAL  59  -8.131 -14.338  -3.538
  382   HG13  VAL  59          HG13      VAL  59  -8.569 -12.642  -3.743
  383   HG21  VAL  59          HG21      VAL  59  -8.630 -12.225  -5.734
  384   HG22  VAL  59          HG22      VAL  59  -8.156 -13.629  -6.691
  385   HG23  VAL  59          HG23      VAL  59  -7.199 -12.150  -6.761
  386    H    CYS  60           HN       CYS  60  -5.199 -10.311  -6.153
  387    HA   CYS  60           HA       CYS  60  -6.448  -8.495  -4.214
  388    HB2  CYS  60           HB2      CYS  60  -4.735  -7.729  -6.571
  389    HB3  CYS  60           HB1      CYS  60  -5.189  -6.718  -5.206
  390    H    ARG  61           HN       ARG  61  -6.777  -9.730  -7.435
  391    HA   ARG  61           HA       ARG  61  -9.286  -8.277  -7.736
  392    HB2  ARG  61           HB2      ARG  61  -6.973  -7.376  -9.014
  393    HB3  ARG  61           HB1      ARG  61  -7.844  -8.259 -10.260
  394    HG2  ARG  61           HG2      ARG  61  -9.870  -6.832  -9.298
  395    HG3  ARG  61           HG1      ARG  61  -8.552  -5.751  -8.855
  396    HD2  ARG  61           HD2      ARG  61  -9.581  -6.511 -11.533
  397    HD3  ARG  61           HD1      ARG  61  -9.010  -4.953 -10.945
  398    HE   ARG  61           HE       ARG  61  -7.516  -6.804 -12.424
  399   HH11  ARG  61          HH11      ARG  61  -7.173  -4.712  -9.647
  400   HH12  ARG  61          HH12      ARG  61  -5.456  -4.572  -9.813
  401   HH21  ARG  61          HH21      ARG  61  -5.264  -6.623 -12.637
  402   HH22  ARG  61          HH22      ARG  61  -4.372  -5.653 -11.512
  403    H    ILE  62           HN       ILE  62 -10.165  -8.954 -10.091
  404    HA   ILE  62           HA       ILE  62  -9.581 -11.459 -11.146
  405    HB   ILE  62           HB       ILE  62 -10.290 -12.418  -9.044
  406   HG12  ILE  62          HG12      ILE  62 -12.160 -13.854  -9.846
  407   HG13  ILE  62          HG11      ILE  62 -12.359 -12.772 -11.220
  408   HG21  ILE  62          HG21      ILE  62 -13.066 -11.400  -9.359
  409   HG22  ILE  62          HG22      ILE  62 -11.847 -10.348  -8.636
  410   HG23  ILE  62          HG23      ILE  62 -12.210 -11.911  -7.903
  411   HD11  ILE  62          HD11      ILE  62 -10.045 -14.574 -10.599
  412   HD12  ILE  62          HD12      ILE  62  -9.963 -13.293 -11.809
  413   HD13  ILE  62          HD13      ILE  62 -11.121 -14.610 -11.996
  414    H    ALA  63           HN       ALA  63 -10.628 -11.685 -13.020
  415    HA   ALA  63           HA       ALA  63 -12.176  -9.565 -13.999
  416    HB1  ALA  63           HB1      ALA  63 -12.634 -11.756 -15.690
  417    HB2  ALA  63           HB2      ALA  63 -10.997 -11.943 -15.059
  418    HB3  ALA  63           HB3      ALA  63 -11.460 -10.459 -15.888
  419    H    ARG  64           HN       ARG  64 -13.612 -12.704 -14.591
  420    HA   ARG  64           HA       ARG  64 -15.832 -12.090 -12.797
  421    HB2  ARG  64           HB2      ARG  64 -15.963 -12.138 -15.771
  422    HB3  ARG  64           HB1      ARG  64 -17.311 -12.836 -14.883
  423    HG2  ARG  64           HG2      ARG  64 -16.269 -10.026 -14.591
  424    HG3  ARG  64           HG1      ARG  64 -17.733 -10.511 -15.448
  425    HD2  ARG  64           HD2      ARG  64 -18.172 -11.651 -13.040
  426    HD3  ARG  64           HD1      ARG  64 -17.221 -10.247 -12.557
  427    HE   ARG  64           HE       ARG  64 -19.075  -9.188 -14.213
  428   HH11  ARG  64          HH11      ARG  64 -19.291 -11.276 -11.425
  429   HH12  ARG  64          HH12      ARG  64 -20.846 -10.684 -10.946
  430   HH21  ARG  64          HH21      ARG  64 -21.121  -8.408 -13.584
  431   HH22  ARG  64          HH22      ARG  64 -21.885  -9.056 -12.172
  432    H    GLY  65           HN       GLY  65 -15.100 -13.925 -11.608
  433    HA2  GLY  65           HA2      GLY  65 -16.193 -16.172 -11.370
  434    HA3  GLY  65           HA1      GLY  65 -15.582 -16.491 -12.987
  435    H    ASP  66           HN       ASP  66 -13.605 -17.311 -13.226
  436    HA   ASP  66           HA       ASP  66 -11.413 -16.907 -11.579
  437    HB2  ASP  66           HB2      ASP  66 -13.187 -18.431 -10.192
  438    HB3  ASP  66           HB1      ASP  66 -12.235 -19.681 -10.987
  439    H    TRP  67           HN       TRP  67 -10.373 -16.844 -13.517
  440    HA   TRP  67           HA       TRP  67 -10.027 -19.422 -14.906
  441    HB2  TRP  67           HB2      TRP  67  -9.239 -17.345 -16.649
  442    HB3  TRP  67           HB1      TRP  67 -10.647 -18.390 -16.799
  443    HD1  TRP  67           HD1      TRP  67  -9.781 -15.059 -14.941
  444    HE1  TRP  67           HE1      TRP  67 -11.860 -13.572 -15.030
  445    HE3  TRP  67           HE3      TRP  67 -12.946 -18.237 -17.379
  446    HZ2  TRP  67           HZ2      TRP  67 -14.491 -13.705 -16.016
  447    HZ3  TRP  67           HZ3      TRP  67 -15.237 -17.475 -17.868
  448    HH2  TRP  67           HH2      TRP  67 -15.993 -15.251 -17.198
  449    H    ASN  68           HN       ASN  68  -8.440 -16.283 -14.852
  450    HA   ASN  68           HA       ASN  68  -5.837 -17.599 -14.515
  451    HB2  ASN  68           HB2      ASN  68  -6.132 -14.703 -15.202
  452    HB3  ASN  68           HB1      ASN  68  -4.855 -15.830 -15.648
  453   HD21  ASN  68          HD21      ASN  68  -8.265 -15.074 -16.217
  454   HD22  ASN  68          HD22      ASN  68  -8.302 -15.638 -17.848
  455    H    ASP  69           HN       ASP  69  -8.027 -15.215 -13.220
  456    HA   ASP  69           HA       ASP  69  -8.169 -14.224 -11.177
  457    HB2  ASP  69           HB2      ASP  69  -5.856 -15.968 -10.375
  458    HB3  ASP  69           HB1      ASP  69  -7.008 -15.174  -9.308
  459    H    ASP  70           HN       ASP  70  -6.891 -12.957  -9.569
  460    HA   ASP  70           HA       ASP  70  -4.544 -11.733 -10.835
  461    HB2  ASP  70           HB2      ASP  70  -6.565 -10.245 -10.870
  462    HB3  ASP  70           HB1      ASP  70  -6.580 -10.316  -9.114
  463    H    TYR  71           HN       TYR  71  -2.782 -12.152  -9.684
  464    HA   TYR  71           HA       TYR  71  -3.080 -12.302  -6.764
  465    HB2  TYR  71           HB2      TYR  71  -1.733 -14.229  -8.620
  466    HB3  TYR  71           HB1      TYR  71  -1.317 -14.141  -6.911
  467    HD1  TYR  71           HD2      TYR  71  -3.188 -14.388  -5.243
  468    HD2  TYR  71           HD1      TYR  71  -3.574 -15.498  -9.318
  469    HE1  TYR  71           HE2      TYR  71  -5.062 -15.835  -4.642
  470    HE2  TYR  71           HE1      TYR  71  -5.464 -16.955  -8.758
  471    HH   TYR  71           HH       TYR  71  -6.141 -18.212  -6.244
  472    H    CYS  72           HN       CYS  72  -1.450 -11.642  -5.511
  473    HA   CYS  72           HA       CYS  72   0.347  -9.715  -6.564
  474    HB2  CYS  72           HB2      CYS  72  -0.683  -9.840  -4.212
  475    HB3  CYS  72           HB1      CYS  72   0.586 -11.009  -3.856
  476    H    THR  73           HN       THR  73   2.724  -9.804  -6.213
  477    HA   THR  73           HA       THR  73   3.754 -12.529  -6.653
  478    HB   THR  73           HB       THR  73   5.236 -11.756  -8.300
  479    HG1  THR  73           HG1      THR  73   6.087  -9.851  -8.214
  480   HG21  THR  73          HG21      THR  73   3.866 -11.125  -9.968
  481   HG22  THR  73          HG22      THR  73   3.168  -9.796  -9.040
  482   HG23  THR  73          HG23      THR  73   2.614 -11.449  -8.767
  483    H    GLY  74           HN       GLY  74   3.619 -10.335  -4.344
  484    HA2  GLY  74           HA2      GLY  74   4.921  -9.750  -2.551
  485    HA3  GLY  74           HA1      GLY  74   5.727 -11.286  -2.828
  486    H    LYS  75           HN       LYS  75   5.781  -8.840  -5.296
  487    HA   LYS  75           HA       LYS  75   8.403  -7.889  -4.455
  488    HB2  LYS  75           HB2      LYS  75   7.941  -9.228  -7.123
  489    HB3  LYS  75           HB1      LYS  75   9.416  -8.400  -6.642
  490    HG2  LYS  75           HG2      LYS  75   9.471 -10.066  -4.689
  491    HG3  LYS  75           HG1      LYS  75   8.300 -10.987  -5.635
  492    HD2  LYS  75           HD2      LYS  75  10.206 -10.408  -7.503
  493    HD3  LYS  75           HD1      LYS  75  11.176 -10.609  -6.043
  494    HE2  LYS  75           HE2      LYS  75  11.091 -12.765  -6.866
  495    HE3  LYS  75           HE1      LYS  75   9.760 -12.759  -5.710
  496    HZ1  LYS  75           HZ1      LYS  75   8.826 -13.715  -7.573
  497    HZ2  LYS  75           HZ2      LYS  75   9.653 -12.711  -8.653
  498    HZ3  LYS  75           HZ3      LYS  75   8.361 -12.098  -7.751
  499    H    SER  76           HN       SER  76   5.545  -6.904  -5.093
  500    HA   SER  76           HA       SER  76   6.314  -4.368  -6.071
  501    HB2  SER  76           HB2      SER  76   5.258  -6.334  -8.039
  502    HB3  SER  76           HB1      SER  76   4.656  -4.680  -8.147
  503    HG   SER  76           HG       SER  76   6.825  -3.982  -8.297
  504    H    SER  77           HN       SER  77   4.486  -2.886  -6.293
  505    HA   SER  77           HA       SER  77   2.391  -3.568  -4.398
  506    HB2  SER  77           HB2      SER  77   1.944  -0.967  -5.378
  507    HB3  SER  77           HB1      SER  77   2.693  -1.416  -3.846
  508    HG   SER  77           HG       SER  77   3.824  -0.153  -5.821
  509    H    ASP  78           HN       ASP  78   2.654  -4.346  -7.455
  510    HA   ASP  78           HA       ASP  78  -0.119  -3.635  -8.142
  511    HB2  ASP  78           HB2      ASP  78   0.620  -4.115 -10.527
  512    HB3  ASP  78           HB1      ASP  78   1.293  -2.665  -9.787
  513    H    CYS  79           HN       CYS  79  -1.540  -5.223  -8.432
  514    HA   CYS  79           HA       CYS  79  -0.580  -7.997  -8.246
  515    HB2  CYS  79           HB2      CYS  79  -2.727  -6.553  -7.018
  516    HB3  CYS  79           HB1      CYS  79  -3.407  -7.854  -7.989
  517    HA   PRO  80           HA       PRO  80  -1.728  -7.958 -12.660
  518    HB2  PRO  80           HB2      PRO  80  -0.545 -10.340 -13.238
  519    HB3  PRO  80           HB1      PRO  80   0.344  -8.816 -13.150
  520    HG2  PRO  80           HG2      PRO  80   0.074 -10.972 -11.089
  521    HG3  PRO  80           HG1      PRO  80   1.521 -10.074 -11.586
  522    HD2  PRO  80           HD2      PRO  80   0.158  -9.458  -9.344
  523    HD3  PRO  80           HD1      PRO  80   0.953  -8.217 -10.332
  524    H    TRP  81           HN       TRP  81  -3.637  -8.605 -13.394
  525    HA   TRP  81           HA       TRP  81  -4.991 -10.844 -12.118
  526    HB2  TRP  81           HB2      TRP  81  -7.032 -10.005 -13.175
  527    HB3  TRP  81           HB1      TRP  81  -6.241  -8.784 -12.192
  528    HD1  TRP  81           HD1      TRP  81  -4.137  -8.411 -14.971
  529    HE1  TRP  81           HE1      TRP  81  -5.030  -6.726 -16.695
  530    HE3  TRP  81           HE3      TRP  81  -8.999  -8.298 -13.510
  531    HZ2  TRP  81           HZ2      TRP  81  -7.497  -5.507 -17.338
  532    HZ3  TRP  81           HZ3      TRP  81 -10.584  -6.851 -14.725
  533    HH2  TRP  81           HH2      TRP  81  -9.841  -5.484 -16.609
  534    H    ASN  82           HN       ASN  82  -3.354 -10.176 -14.949
  535    HA   ASN  82           HA       ASN  82  -2.950 -11.335 -16.864
  536    HB2  ASN  82           HB2      ASN  82  -4.230 -13.611 -15.333
  537    HB3  ASN  82           HB1      ASN  82  -3.274 -13.774 -16.804
  538   HD21  ASN  82          HD21      ASN  82  -3.188 -13.967 -13.524
  539   HD22  ASN  82          HD22      ASN  82  -1.489 -13.785 -13.270
  540    H    HIS  83           HN       HIS  83  -5.234  -9.768 -16.862
  541    HA   HIS  83           HA       HIS  83  -6.955 -11.299 -18.686
  542    HB2  HIS  83           HB2      HIS  83  -8.006  -9.279 -16.699
  543    HB3  HIS  83           HB1      HIS  83  -8.948 -10.310 -17.772
  544    HD1  HIS  83           HD1      HIS  83  -8.761 -10.138 -14.466
  545    HD2  HIS  83           HD2      HIS  83  -7.529 -13.177 -17.012
  546    HE1  HIS  83           HE1      HIS  83  -8.708 -12.217 -13.054
  547    HE2  HIS  83           HE2      HIS  83  -7.869 -14.021 -14.596
  Start of MODEL   13
    1    H1   SER   1           HT1      SER   1  -7.072  14.866  18.250
    2    H2   SER   1           HT2      SER   1  -6.349  14.671  19.794
    3    H3   SER   1           HT3      SER   1  -7.348  13.434  19.150
    4    HA   SER   1           HA       SER   1  -5.087  12.815  18.966
    5    HB2  SER   1           HB2      SER   1  -6.980  12.672  17.043
    6    HB3  SER   1           HB1      SER   1  -5.730  13.552  16.163
    7    HG   SER   1           HG       SER   1  -4.908  11.641  15.875
    8    HA   PRO   2           HA       PRO   2  -1.878  15.727  18.175
    9    HB2  PRO   2           HB2      PRO   2  -0.565  14.003  16.201
   10    HB3  PRO   2           HB1      PRO   2  -0.025  14.465  17.816
   11    HG2  PRO   2           HG2      PRO   2  -0.838  11.960  17.235
   12    HG3  PRO   2           HG1      PRO   2  -1.098  12.697  18.827
   13    HD2  PRO   2           HD2      PRO   2  -3.026  12.349  16.559
   14    HD3  PRO   2           HD1      PRO   2  -3.287  12.130  18.304
   15    HA   PRO   3           HA       PRO   3  -2.433  18.039  14.466
   16    HB2  PRO   3           HB2      PRO   3   0.437  18.469  14.085
   17    HB3  PRO   3           HB1      PRO   3  -0.816  19.629  14.532
   18    HG2  PRO   3           HG2      PRO   3   1.072  18.809  16.275
   19    HG3  PRO   3           HG1      PRO   3  -0.574  19.225  16.785
   20    HD2  PRO   3           HD2      PRO   3   0.648  16.525  16.341
   21    HD3  PRO   3           HD1      PRO   3  -0.439  17.071  17.637
   22    H    VAL   4           HN       VAL   4  -2.865  17.458  12.446
   23    HA   VAL   4           HA       VAL   4  -1.810  15.165  11.276
   24    HB   VAL   4           HB       VAL   4  -4.073  16.095  10.885
   25   HG11  VAL   4          HG11      VAL   4  -3.141  18.480  10.671
   26   HG12  VAL   4          HG12      VAL   4  -4.501  18.007   9.654
   27   HG13  VAL   4          HG13      VAL   4  -2.875  18.063   8.979
   28   HG21  VAL   4          HG21      VAL   4  -3.268  14.453   9.366
   29   HG22  VAL   4          HG22      VAL   4  -2.365  15.665   8.456
   30   HG23  VAL   4          HG23      VAL   4  -4.125  15.690   8.458
   31    H    CYS   5           HN       CYS   5   0.418  15.378  11.187
   32    HA   CYS   5           HA       CYS   5   1.742  17.627  10.070
   33    HB2  CYS   5           HB2      CYS   5   3.304  15.194   9.780
   34    HB3  CYS   5           HB1      CYS   5   3.621  16.605  10.773
   35    H    GLY   6           HN       GLY   6   1.008  18.178   8.090
   36    HA2  GLY   6           HA2      GLY   6   1.455  18.084   5.754
   37    HA3  GLY   6           HA1      GLY   6   1.680  16.346   5.897
   38    H    ASN   7           HN       ASN   7  -1.030  17.519   7.594
   39    HA   ASN   7           HA       ASN   7  -3.274  17.292   7.323
   40    HB2  ASN   7           HB2      ASN   7  -2.313  18.213   4.683
   41    HB3  ASN   7           HB1      ASN   7  -3.876  17.398   4.646
   42   HD21  ASN   7          HD21      ASN   7  -5.552  18.226   6.040
   43   HD22  ASN   7          HD22      ASN   7  -5.579  19.907   6.438
   44    H    LYS   8           HN       LYS   8  -4.859  15.720   6.867
   45    HA   LYS   8           HA       LYS   8  -4.063  13.093   6.771
   46    HB2  LYS   8           HB2      LYS   8  -6.317  13.812   7.445
   47    HB3  LYS   8           HB1      LYS   8  -6.686  14.227   5.777
   48    HG2  LYS   8           HG2      LYS   8  -7.689  12.122   6.265
   49    HG3  LYS   8           HG1      LYS   8  -6.335  11.843   5.169
   50    HD2  LYS   8           HD2      LYS   8  -5.161  10.680   6.708
   51    HD3  LYS   8           HD1      LYS   8  -5.692  11.710   8.040
   52    HE2  LYS   8           HE2      LYS   8  -8.009  10.525   7.525
   53    HE3  LYS   8           HE1      LYS   8  -6.942   9.268   6.901
   54    HZ1  LYS   8           HZ1      LYS   8  -6.482  10.416   9.576
   55    HZ2  LYS   8           HZ2      LYS   8  -6.021   8.905   8.972
   56    HZ3  LYS   8           HZ3      LYS   8  -7.641   9.202   9.359
   57    H    ILE   9           HN       ILE   9  -2.589  12.560   5.211
   58    HA   ILE   9           HA       ILE   9  -2.442  13.344   2.611
   59    HB   ILE   9           HB       ILE   9  -1.589  11.019   2.025
   60   HG12  ILE   9          HG12      ILE   9  -0.859   9.826   4.220
   61   HG13  ILE   9          HG11      ILE   9  -2.238  10.662   4.928
   62   HG21  ILE   9          HG21      ILE   9  -0.166  12.917   2.564
   63   HG22  ILE   9          HG22      ILE   9   0.510  11.421   3.210
   64   HG23  ILE   9          HG23      ILE   9  -0.325  12.546   4.274
   65   HD11  ILE   9          HD11      ILE   9  -3.658   9.197   4.062
   66   HD12  ILE   9          HD12      ILE   9  -2.254   8.228   3.614
   67   HD13  ILE   9          HD13      ILE   9  -2.950   9.360   2.455
   68    H    LEU  10           HN       LEU  10  -3.579  13.238   0.865
   69    HA   LEU  10           HA       LEU  10  -6.033  11.705   0.878
   70    HB2  LEU  10           HB2      LEU  10  -6.493  13.040  -1.222
   71    HB3  LEU  10           HB1      LEU  10  -6.358  13.944   0.275
   72    HG   LEU  10           HG       LEU  10  -5.238  14.838  -1.895
   73   HD11  LEU  10          HD11      LEU  10  -3.168  15.366  -0.158
   74   HD12  LEU  10          HD12      LEU  10  -4.522  14.993   0.910
   75   HD13  LEU  10          HD13      LEU  10  -4.676  16.271  -0.295
   76   HD21  LEU  10          HD21      LEU  10  -2.869  14.180  -2.089
   77   HD22  LEU  10          HD22      LEU  10  -3.987  12.883  -2.506
   78   HD23  LEU  10          HD23      LEU  10  -3.165  12.869  -0.947
   79    H    GLU  11           HN       GLU  11  -3.142  10.769   0.251
   80    HA   GLU  11           HA       GLU  11  -3.686   8.529  -1.222
   81    HB2  GLU  11           HB2      GLU  11  -2.819   9.020  -3.470
   82    HB3  GLU  11           HB1      GLU  11  -4.259   9.962  -3.118
   83    HG2  GLU  11           HG2      GLU  11  -3.133  11.759  -3.742
   84    HG3  GLU  11           HG1      GLU  11  -2.149  11.570  -2.290
   85    H    GLN  12           HN       GLN  12  -2.120   8.571   0.811
   86    HA   GLN  12           HA       GLN  12   0.542   8.152  -0.294
   87    HB2  GLN  12           HB2      GLN  12  -0.045  10.051   1.960
   88    HB3  GLN  12           HB1      GLN  12   1.547   9.370   1.694
   89    HG2  GLN  12           HG2      GLN  12   1.879  11.210   0.474
   90    HG3  GLN  12           HG1      GLN  12   1.005  10.323  -0.773
   91   HE21  GLN  12          HE21      GLN  12   1.278  13.239   0.473
   92   HE22  GLN  12          HE22      GLN  12  -0.340  13.827   0.323
   93    H    GLY  13           HN       GLY  13  -0.234   8.444   3.134
   94    HA2  GLY  13           HA2      GLY  13  -0.202   6.898   4.838
   95    HA3  GLY  13           HA1      GLY  13  -0.787   5.732   3.659
   96    H    GLU  14           HN       GLU  14   2.122   7.321   2.901
   97    HA   GLU  14           HA       GLU  14   4.270   6.315   4.029
   98    HB2  GLU  14           HB2      GLU  14   2.814   4.043   2.767
   99    HB3  GLU  14           HB1      GLU  14   4.546   4.106   2.478
  100    HG2  GLU  14           HG2      GLU  14   5.071   3.726   4.671
  101    HG3  GLU  14           HG1      GLU  14   3.551   4.392   5.264
  102    H    ASP  15           HN       ASP  15   3.441   8.258   2.256
  103    HA   ASP  15           HA       ASP  15   5.283   7.808   0.019
  104    HB2  ASP  15           HB2      ASP  15   3.006   7.708  -0.839
  105    HB3  ASP  15           HB1      ASP  15   2.616   9.226  -0.043
  106    H    CYS  16           HN       CYS  16   3.527  10.277   1.892
  107    HA   CYS  16           HA       CYS  16   5.597  11.692   2.888
  108    HB2  CYS  16           HB2      CYS  16   6.711  12.207   0.951
  109    HB3  CYS  16           HB1      CYS  16   5.240  12.246  -0.012
  110    H    ASP  17           HN       ASP  17   4.821  13.201   4.208
  111    HA   ASP  17           HA       ASP  17   3.490  14.787   5.144
  112    HB2  ASP  17           HB2      ASP  17   2.987  15.096   2.359
  113    HB3  ASP  17           HB1      ASP  17   1.440  15.195   3.194
  114    H    CYS  18           HN       CYS  18   3.008  11.922   5.281
  115    HA   CYS  18           HA       CYS  18   0.626  10.817   5.102
  116    HB2  CYS  18           HB2      CYS  18   2.767  10.557   6.938
  117    HB3  CYS  18           HB1      CYS  18   1.271  10.495   7.869
  118    H    GLY  19           HN       GLY  19   1.239  13.521   7.294
  119    HA2  GLY  19           HA2      GLY  19  -0.260  14.928   8.356
  120    HA3  GLY  19           HA1      GLY  19  -1.497  14.251   7.321
  121    H    SER  20           HN       SER  20  -2.266  12.023   7.953
  122    HA   SER  20           HA       SER  20  -3.386  12.111  10.457
  123    HB2  SER  20           HB2      SER  20  -4.134   9.912  10.119
  124    HB3  SER  20           HB1      SER  20  -3.979  10.587   8.499
  125    HG   SER  20           HG       SER  20  -2.266   8.768   9.821
  126    HA   PRO  21           HA       PRO  21   0.362  11.775  12.891
  127    HB2  PRO  21           HB2      PRO  21  -1.802  11.557  14.939
  128    HB3  PRO  21           HB1      PRO  21  -0.333  12.539  14.953
  129    HG2  PRO  21           HG2      PRO  21  -2.685  13.648  14.408
  130    HG3  PRO  21           HG1      PRO  21  -1.227  14.137  13.525
  131    HD2  PRO  21           HD2      PRO  21  -3.494  12.419  12.637
  132    HD3  PRO  21           HD1      PRO  21  -2.503  13.543  11.693
  133    H    ALA  22           HN       ALA  22  -2.359   9.581  12.804
  134    HA   ALA  22           HA       ALA  22  -1.524   7.578  14.521
  135    HB1  ALA  22           HB1      ALA  22  -3.159   7.630  12.039
  136    HB2  ALA  22           HB2      ALA  22  -3.596   7.126  13.671
  137    HB3  ALA  22           HB3      ALA  22  -2.628   6.063  12.650
  138    H    ASN  23           HN       ASN  23  -0.210   8.581  11.488
  139    HA   ASN  23           HA       ASN  23   1.636   6.291  11.495
  140    HB2  ASN  23           HB2      ASN  23   0.059   7.411   9.409
  141    HB3  ASN  23           HB1      ASN  23   1.748   7.723   9.024
  142   HD21  ASN  23          HD21      ASN  23  -0.687   5.609   8.595
  143   HD22  ASN  23          HD22      ASN  23   0.212   4.161   8.313
  144    H    CYS  24           HN       CYS  24   1.355   9.738  11.698
  145    HA   CYS  24           HA       CYS  24   3.894  10.561  10.891
  146    HB2  CYS  24           HB2      CYS  24   1.823  11.956  11.637
  147    HB3  CYS  24           HB1      CYS  24   2.516  11.823  13.248
  148    H    GLN  25           HN       GLN  25   5.434   9.060  11.540
  149    HA   GLN  25           HA       GLN  25   7.095   8.238  12.857
  150    HB2  GLN  25           HB2      GLN  25   6.270  10.312  14.891
  151    HB3  GLN  25           HB1      GLN  25   7.833   9.519  14.752
  152    HG2  GLN  25           HG2      GLN  25   6.843  11.087  12.434
  153    HG3  GLN  25           HG1      GLN  25   7.423  11.959  13.852
  154   HE21  GLN  25          HE21      GLN  25   8.323   9.427  11.558
  155   HE22  GLN  25          HE22      GLN  25  10.018   9.760  11.581
  156    H    ASP  26           HN       ASP  26   5.153   6.575  12.892
  157    HA   ASP  26           HA       ASP  26   5.059   5.589  15.610
  158    HB2  ASP  26           HB2      ASP  26   2.962   7.145  14.890
  159    HB3  ASP  26           HB1      ASP  26   2.387   5.574  14.342
  160    H    ARG  27           HN       ARG  27   3.196   4.958  12.630
  161    HA   ARG  27           HA       ARG  27   3.611   2.134  12.894
  162    HB2  ARG  27           HB2      ARG  27   2.056   3.918  11.130
  163    HB3  ARG  27           HB1      ARG  27   2.569   2.400  10.406
  164    HG2  ARG  27           HG2      ARG  27   1.186   1.161  11.688
  165    HG3  ARG  27           HG1      ARG  27   1.361   2.218  13.091
  166    HD2  ARG  27           HD2      ARG  27  -0.753   2.808  12.572
  167    HD3  ARG  27           HD1      ARG  27   0.052   3.870  11.417
  168    HE   ARG  27           HE       ARG  27  -0.800   2.602   9.718
  169   HH11  ARG  27          HH11      ARG  27  -1.026   0.783  12.688
  170   HH12  ARG  27          HH12      ARG  27  -1.950  -0.498  11.980
  171   HH21  ARG  27          HH21      ARG  27  -2.016   0.917   8.784
  172   HH22  ARG  27          HH22      ARG  27  -2.512  -0.423   9.763
  173    H    CYS  28           HN       CYS  28   3.990   3.707   9.772
  174    HA   CYS  28           HA       CYS  28   6.829   3.246   9.677
  175    HB2  CYS  28           HB2      CYS  28   6.796   1.629   7.860
  176    HB3  CYS  28           HB1      CYS  28   5.939   0.980   9.253
  177    H    CYS  29           HN       CYS  29   4.901   5.424   9.314
  178    HA   CYS  29           HA       CYS  29   5.681   6.217   6.584
  179    HB2  CYS  29           HB2      CYS  29   3.281   5.729   6.628
  180    HB3  CYS  29           HB1      CYS  29   3.072   6.832   7.980
  181    H    ASN  30           HN       ASN  30   6.028   8.473   6.266
  182    HA   ASN  30           HA       ASN  30   6.701   9.886   8.760
  183    HB2  ASN  30           HB2      ASN  30   8.018   9.873   6.058
  184    HB3  ASN  30           HB1      ASN  30   8.278  11.172   7.203
  185   HD21  ASN  30          HD21      ASN  30   8.449   9.955   9.575
  186   HD22  ASN  30          HD22      ASN  30   9.770   8.842   9.609
  187    H    ALA  31           HN       ALA  31   4.903  11.006   9.114
  188    HA   ALA  31           HA       ALA  31   3.637  12.571   7.037
  189    HB1  ALA  31           HB1      ALA  31   1.923  12.194   8.437
  190    HB2  ALA  31           HB2      ALA  31   2.614  13.451   9.454
  191    HB3  ALA  31           HB3      ALA  31   2.997  11.761   9.758
  192    H    ALA  32           HN       ALA  32   6.088  12.861   9.401
  193    HA   ALA  32           HA       ALA  32   6.172  15.790   9.151
  194    HB1  ALA  32           HB1      ALA  32   7.608  15.770  11.090
  195    HB2  ALA  32           HB2      ALA  32   7.688  14.007  11.055
  196    HB3  ALA  32           HB3      ALA  32   6.164  14.815  11.431
  197    H    THR  33           HN       THR  33   7.575  12.961   7.943
  198    HA   THR  33           HA       THR  33  10.023  14.394   7.191
  199    HB   THR  33           HB       THR  33  10.145  11.538   6.766
  200    HG1  THR  33           HG1      THR  33   9.654  12.425   9.417
  201   HG21  THR  33          HG21      THR  33  11.660  13.117   8.791
  202   HG22  THR  33          HG22      THR  33  12.033  13.194   7.068
  203   HG23  THR  33          HG23      THR  33  12.149  11.659   7.929
  204    H    CYS  34           HN       CYS  34   7.145  13.795   5.911
  205    HA   CYS  34           HA       CYS  34   6.311  13.470   3.816
  206    HB2  CYS  34           HB2      CYS  34   7.171  15.642   3.485
  207    HB3  CYS  34           HB1      CYS  34   8.824  15.059   3.359
  208    H    LYS  35           HN       LYS  35   7.218  11.086   4.519
  209    HA   LYS  35           HA       LYS  35   7.825   9.838   2.069
  210    HB2  LYS  35           HB2      LYS  35  10.084  10.928   3.177
  211    HB3  LYS  35           HB1      LYS  35  10.129   9.272   3.765
  212    HG2  LYS  35           HG2      LYS  35  11.384   9.621   1.662
  213    HG3  LYS  35           HG1      LYS  35  10.116   8.406   1.536
  214    HD2  LYS  35           HD2      LYS  35   9.413   9.503  -0.274
  215    HD3  LYS  35           HD1      LYS  35   8.854  10.768   0.818
  216    HE2  LYS  35           HE2      LYS  35  11.712  10.878   0.149
  217    HE3  LYS  35           HE1      LYS  35  10.621  11.143  -1.210
  218    HZ1  LYS  35           HZ1      LYS  35   9.545  12.904   0.027
  219    HZ2  LYS  35           HZ2      LYS  35  11.203  13.213  -0.094
  220    HZ3  LYS  35           HZ3      LYS  35  10.555  12.635   1.358
  221    H    LEU  36           HN       LEU  36   8.790   7.543   2.523
  222    HA   LEU  36           HA       LEU  36   7.118   6.341   4.610
  223    HB2  LEU  36           HB2      LEU  36   7.109   4.348   3.358
  224    HB3  LEU  36           HB1      LEU  36   6.913   5.629   2.181
  225    HG   LEU  36           HG       LEU  36   9.567   4.318   2.749
  226   HD11  LEU  36          HD11      LEU  36   8.089   3.691   0.269
  227   HD12  LEU  36          HD12      LEU  36   7.506   2.933   1.750
  228   HD13  LEU  36          HD13      LEU  36   9.173   2.687   1.231
  229   HD21  LEU  36          HD21      LEU  36   8.600   6.444   0.962
  230   HD22  LEU  36          HD22      LEU  36   9.637   5.236   0.203
  231   HD23  LEU  36          HD23      LEU  36  10.215   6.141   1.601
  232    H    THR  37           HN       THR  37   8.029   5.428   6.363
  233    HA   THR  37           HA       THR  37  10.862   5.637   6.734
  234    HB   THR  37           HB       THR  37  10.389   4.670   8.975
  235    HG1  THR  37           HG1      THR  37   8.670   3.345   8.562
  236   HG21  THR  37          HG21      THR  37  10.206   7.050   8.746
  237   HG22  THR  37          HG22      THR  37   8.937   6.448   9.812
  238   HG23  THR  37          HG23      THR  37   8.555   6.894   8.148
  239    HA   PRO  38           HA       PRO  38  12.783   1.774   5.891
  240    HB2  PRO  38           HB2      PRO  38  12.801   1.463   8.881
  241    HB3  PRO  38           HB1      PRO  38  14.082   1.091   7.716
  242    HG2  PRO  38           HG2      PRO  38  14.164   3.349   9.096
  243    HG3  PRO  38           HG1      PRO  38  14.592   3.340   7.374
  244    HD2  PRO  38           HD2      PRO  38  12.173   4.408   8.711
  245    HD3  PRO  38           HD1      PRO  38  12.938   4.910   7.192
  246    H    GLY  39           HN       GLY  39  12.212  -0.350   5.612
  247    HA2  GLY  39           HA2      GLY  39  11.053  -2.353   6.119
  248    HA3  GLY  39           HA1      GLY  39  10.006  -1.443   7.200
  249    H    SER  40           HN       SER  40   9.323   0.647   5.431
  250    HA   SER  40           HA       SER  40   7.149  -0.515   4.063
  251    HB2  SER  40           HB2      SER  40   7.380   1.888   4.948
  252    HB3  SER  40           HB1      SER  40   8.272   2.222   3.465
  253    HG   SER  40           HG       SER  40   6.028   2.675   3.268
  254    H    GLN  41           HN       GLN  41   7.534  -1.903   2.437
  255    HA   GLN  41           HA       GLN  41   9.716  -1.628   0.623
  256    HB2  GLN  41           HB2      GLN  41   7.258  -3.362   0.342
  257    HB3  GLN  41           HB1      GLN  41   8.785  -3.563  -0.506
  258    HG2  GLN  41           HG2      GLN  41   8.332  -3.870   2.453
  259    HG3  GLN  41           HG1      GLN  41   8.588  -5.169   1.288
  260   HE21  GLN  41          HE21      GLN  41  10.610  -5.754   0.782
  261   HE22  GLN  41          HE22      GLN  41  12.038  -4.978   1.369
  262    H    CYS  42           HN       CYS  42   6.422  -0.531   0.643
  263    HA   CYS  42           HA       CYS  42   6.903   0.824  -1.901
  264    HB2  CYS  42           HB2      CYS  42   4.500   0.234  -2.559
  265    HB3  CYS  42           HB1      CYS  42   5.716  -1.026  -2.721
  266    H    ASN  43           HN       ASN  43   5.713   2.702  -2.214
  267    HA   ASN  43           HA       ASN  43   4.802   3.949   0.235
  268    HB2  ASN  43           HB2      ASN  43   5.078   5.006  -2.590
  269    HB3  ASN  43           HB1      ASN  43   4.557   5.978  -1.219
  270   HD21  ASN  43          HD21      ASN  43   7.212   3.978  -2.402
  271   HD22  ASN  43          HD22      ASN  43   8.462   4.838  -1.577
  272    H    TYR  44           HN       TYR  44   3.523   2.822  -2.808
  273    HA   TYR  44           HA       TYR  44   0.907   2.581  -1.732
  274    HB2  TYR  44           HB2      TYR  44   1.510   5.001  -2.958
  275    HB3  TYR  44           HB1      TYR  44   0.647   4.084  -4.196
  276    HD1  TYR  44           HD1      TYR  44  -1.589   3.171  -3.702
  277    HD2  TYR  44           HD2      TYR  44   0.404   5.824  -1.062
  278    HE1  TYR  44           HE1      TYR  44  -3.697   3.575  -2.545
  279    HE2  TYR  44           HE2      TYR  44  -1.688   6.254   0.108
  280    HH   TYR  44           HH       TYR  44  -4.052   4.674   0.325
  281    H    GLY  45           HN       GLY  45  -0.543   1.437  -3.110
  282    HA2  GLY  45           HA2      GLY  45  -0.580   0.532  -5.534
  283    HA3  GLY  45           HA1      GLY  45   0.900  -0.261  -5.016
  284    H    GLU  46           HN       GLU  46  -1.808  -1.244  -5.849
  285    HA   GLU  46           HA       GLU  46  -3.403  -2.303  -3.935
  286    HB2  GLU  46           HB2      GLU  46  -2.379  -3.402  -6.521
  287    HB3  GLU  46           HB1      GLU  46  -3.394  -4.412  -5.500
  288    HG2  GLU  46           HG2      GLU  46  -4.966  -3.468  -6.859
  289    HG3  GLU  46           HG1      GLU  46  -4.972  -2.327  -5.515
  290    H    CYS  47           HN       CYS  47  -0.152  -3.296  -4.716
  291    HA   CYS  47           HA       CYS  47  -0.275  -5.580  -2.906
  292    HB2  CYS  47           HB2      CYS  47   1.648  -4.601  -4.973
  293    HB3  CYS  47           HB1      CYS  47   2.208  -5.719  -3.737
  294    H    CYS  48           HN       CYS  48  -0.507  -2.996  -1.672
  295    HA   CYS  48           HA       CYS  48   2.037  -2.932  -0.191
  296    HB2  CYS  48           HB2      CYS  48   1.037  -0.854  -1.670
  297    HB3  CYS  48           HB1      CYS  48   0.402  -0.490  -0.069
  298    H    ASP  49           HN       ASP  49   1.569  -4.125   1.555
  299    HA   ASP  49           HA       ASP  49  -0.525  -3.122   3.325
  300    HB2  ASP  49           HB2      ASP  49  -1.439  -5.048   1.972
  301    HB3  ASP  49           HB1      ASP  49  -0.237  -6.073   2.751
  302    H    GLN  50           HN       GLN  50   0.131  -2.983   5.352
  303    HA   GLN  50           HA       GLN  50   1.388  -3.164   7.239
  304    HB2  GLN  50           HB2      GLN  50   1.640  -5.855   6.007
  305    HB3  GLN  50           HB1      GLN  50   2.787  -5.450   7.277
  306    HG2  GLN  50           HG2      GLN  50   0.666  -4.731   8.594
  307    HG3  GLN  50           HG1      GLN  50  -0.176  -5.751   7.428
  308   HE21  GLN  50          HE21      GLN  50  -0.726  -7.479   8.590
  309   HE22  GLN  50          HE22      GLN  50   0.373  -8.475   9.476
  310    H    CYS  51           HN       CYS  51   2.475  -1.863   4.902
  311    HA   CYS  51           HA       CYS  51   4.405  -0.862   4.237
  312    HB2  CYS  51           HB2      CYS  51   5.951  -2.018   6.513
  313    HB3  CYS  51           HB1      CYS  51   5.991  -0.392   5.843
  314    H    ARG  52           HN       ARG  52   3.785  -3.642   3.464
  315    HA   ARG  52           HA       ARG  52   6.362  -4.266   2.301
  316    HB2  ARG  52           HB2      ARG  52   5.105  -5.915   4.423
  317    HB3  ARG  52           HB1      ARG  52   5.769  -6.783   3.045
  318    HG2  ARG  52           HG2      ARG  52   7.551  -4.738   4.135
  319    HG3  ARG  52           HG1      ARG  52   7.165  -6.041   5.260
  320    HD2  ARG  52           HD2      ARG  52   8.103  -7.666   3.898
  321    HD3  ARG  52           HD1      ARG  52   7.971  -6.670   2.450
  322    HE   ARG  52           HE       ARG  52   9.723  -5.312   4.025
  323   HH11  ARG  52          HH11      ARG  52   9.576  -8.579   2.808
  324   HH12  ARG  52          HH12      ARG  52  11.297  -8.770   2.756
  325   HH21  ARG  52          HH21      ARG  52  11.986  -5.561   3.957
  326   HH22  ARG  52          HH22      ARG  52  12.665  -7.057   3.409
  327    H    PHE  53           HN       PHE  53   6.207  -5.720   0.493
  328    HA   PHE  53           HA       PHE  53   3.881  -5.370  -1.030
  329    HB2  PHE  53           HB2      PHE  53   6.234  -7.221  -1.359
  330    HB3  PHE  53           HB1      PHE  53   4.896  -7.201  -2.507
  331    HD1  PHE  53           HD2      PHE  53   4.247  -4.392  -2.695
  332    HD2  PHE  53           HD1      PHE  53   8.045  -6.286  -2.461
  333    HE1  PHE  53           HE2      PHE  53   5.250  -2.494  -3.865
  334    HE2  PHE  53           HE1      PHE  53   9.068  -4.380  -3.638
  335    HZ   PHE  53           HZ       PHE  53   7.670  -2.477  -4.344
  336    H    LYS  54           HN       LYS  54   2.064  -6.509  -1.281
  337    HA   LYS  54           HA       LYS  54   1.236  -8.343   0.644
  338    HB2  LYS  54           HB2      LYS  54   0.210  -7.369  -1.940
  339    HB3  LYS  54           HB1      LYS  54  -0.376  -8.958  -1.469
  340    HG2  LYS  54           HG2      LYS  54  -1.443  -8.152   0.419
  341    HG3  LYS  54           HG1      LYS  54  -0.461  -6.686   0.468
  342    HD2  LYS  54           HD2      LYS  54  -1.767  -5.602  -1.036
  343    HD3  LYS  54           HD1      LYS  54  -2.128  -7.073  -1.943
  344    HE2  LYS  54           HE2      LYS  54  -3.978  -7.510  -0.740
  345    HE3  LYS  54           HE1      LYS  54  -3.236  -6.995   0.774
  346    HZ1  LYS  54           HZ1      LYS  54  -3.546  -4.668  -0.013
  347    HZ2  LYS  54           HZ2      LYS  54  -4.990  -5.498   0.277
  348    HZ3  LYS  54           HZ3      LYS  54  -4.452  -5.269  -1.310
  349    H    LYS  55           HN       LYS  55   2.443 -10.112   1.006
  350    HA   LYS  55           HA       LYS  55   4.048 -11.632  -0.435
  351    HB2  LYS  55           HB2      LYS  55   3.379 -12.161   1.875
  352    HB3  LYS  55           HB1      LYS  55   1.854 -12.804   1.282
  353    HG2  LYS  55           HG2      LYS  55   3.021 -14.560   0.092
  354    HG3  LYS  55           HG1      LYS  55   4.576 -13.889   0.587
  355    HD2  LYS  55           HD2      LYS  55   2.508 -14.716   2.600
  356    HD3  LYS  55           HD1      LYS  55   3.647 -15.878   1.916
  357    HE2  LYS  55           HE2      LYS  55   4.932 -15.252   3.657
  358    HE3  LYS  55           HE1      LYS  55   5.337 -13.893   2.609
  359    HZ1  LYS  55           HZ1      LYS  55   3.707 -13.959   5.016
  360    HZ2  LYS  55           HZ2      LYS  55   3.150 -12.956   3.773
  361    HZ3  LYS  55           HZ3      LYS  55   4.699 -12.729   4.412
  362    H    ALA  56           HN       ALA  56   4.076 -12.718  -2.287
  363    HA   ALA  56           HA       ALA  56   2.189 -12.747  -4.204
  364    HB1  ALA  56           HB1      ALA  56   3.222 -15.084  -4.842
  365    HB2  ALA  56           HB2      ALA  56   4.381 -14.654  -3.582
  366    HB3  ALA  56           HB3      ALA  56   4.160 -13.596  -4.977
  367    H    GLY  57           HN       GLY  57   0.248 -13.596  -4.517
  368    HA2  GLY  57           HA2      GLY  57  -1.162 -15.614  -4.458
  369    HA3  GLY  57           HA1      GLY  57  -0.543 -15.899  -2.835
  370    H    THR  58           HN       THR  58  -0.788 -12.722  -2.798
  371    HA   THR  58           HA       THR  58  -3.301 -12.736  -1.395
  372    HB   THR  58           HB       THR  58  -1.452 -10.437  -2.093
  373    HG1  THR  58           HG1      THR  58  -1.694 -11.879   0.338
  374   HG21  THR  58          HG21      THR  58  -4.002 -10.199  -1.210
  375   HG22  THR  58          HG22      THR  58  -2.705  -9.039  -0.904
  376   HG23  THR  58          HG23      THR  58  -3.103 -10.259   0.307
  377    H    VAL  59           HN       VAL  59  -5.107 -12.846  -2.635
  378    HA   VAL  59           HA       VAL  59  -5.288 -11.831  -5.264
  379    HB   VAL  59           HB       VAL  59  -6.789 -13.606  -4.437
  380   HG11  VAL  59          HG11      VAL  59  -8.621 -11.747  -3.097
  381   HG12  VAL  59          HG12      VAL  59  -7.121 -12.072  -2.229
  382   HG13  VAL  59          HG13      VAL  59  -8.182 -13.405  -2.687
  383   HG21  VAL  59          HG21      VAL  59  -8.380 -13.056  -5.926
  384   HG22  VAL  59          HG22      VAL  59  -7.384 -11.627  -6.205
  385   HG23  VAL  59          HG23      VAL  59  -8.762 -11.542  -5.108
  386    H    CYS  60           HN       CYS  60  -5.364  -9.764  -5.871
  387    HA   CYS  60           HA       CYS  60  -6.471  -7.802  -3.974
  388    HB2  CYS  60           HB2      CYS  60  -4.868  -6.873  -6.294
  389    HB3  CYS  60           HB1      CYS  60  -4.946  -6.239  -4.656
  390    H    ARG  61           HN       ARG  61  -6.945  -9.274  -7.012
  391    HA   ARG  61           HA       ARG  61  -9.294  -7.640  -7.489
  392    HB2  ARG  61           HB2      ARG  61  -6.975  -6.871  -8.716
  393    HB3  ARG  61           HB1      ARG  61  -7.674  -7.937  -9.924
  394    HG2  ARG  61           HG2      ARG  61  -9.832  -6.521  -9.479
  395    HG3  ARG  61           HG1      ARG  61  -8.666  -5.332  -8.893
  396    HD2  ARG  61           HD2      ARG  61  -9.075  -6.407 -11.640
  397    HD3  ARG  61           HD1      ARG  61  -8.783  -4.751 -11.112
  398    HE   ARG  61           HE       ARG  61  -6.808  -6.753 -11.755
  399   HH11  ARG  61          HH11      ARG  61  -7.435  -3.730 -10.127
  400   HH12  ARG  61          HH12      ARG  61  -5.773  -3.246 -10.124
  401   HH21  ARG  61          HH21      ARG  61  -4.626  -6.126 -11.739
  402   HH22  ARG  61          HH22      ARG  61  -4.177  -4.605 -11.041
  403    H    ILE  62           HN       ILE  62 -10.192  -8.428  -9.804
  404    HA   ILE  62           HA       ILE  62  -9.766 -11.011 -10.709
  405    HB   ILE  62           HB       ILE  62 -10.458 -11.865  -8.574
  406   HG12  ILE  62          HG12      ILE  62 -12.456 -13.177  -9.191
  407   HG13  ILE  62          HG11      ILE  62 -12.750 -12.089 -10.542
  408   HG21  ILE  62          HG21      ILE  62 -13.160 -10.665  -8.709
  409   HG22  ILE  62          HG22      ILE  62 -11.825  -9.617  -8.226
  410   HG23  ILE  62          HG23      ILE  62 -12.172 -11.084  -7.308
  411   HD11  ILE  62          HD11      ILE  62 -10.653 -14.172 -10.206
  412   HD12  ILE  62          HD12      ILE  62 -10.345 -12.790 -11.256
  413   HD13  ILE  62          HD13      ILE  62 -11.717 -13.851 -11.575
  414    H    ALA  63           HN       ALA  63 -10.911 -11.314 -12.535
  415    HA   ALA  63           HA       ALA  63 -12.329  -9.183 -13.644
  416    HB1  ALA  63           HB1      ALA  63 -13.121 -11.430 -15.090
  417    HB2  ALA  63           HB2      ALA  63 -11.508 -11.808 -14.483
  418    HB3  ALA  63           HB3      ALA  63 -11.772 -10.352 -15.439
  419    H    ARG  64           HN       ARG  64 -14.104 -12.201 -13.819
  420    HA   ARG  64           HA       ARG  64 -16.147 -11.163 -12.008
  421    HB2  ARG  64           HB2      ARG  64 -16.454 -11.537 -14.948
  422    HB3  ARG  64           HB1      ARG  64 -17.815 -11.957 -13.917
  423    HG2  ARG  64           HG2      ARG  64 -18.312  -9.783 -14.364
  424    HG3  ARG  64           HG1      ARG  64 -17.351  -9.576 -12.898
  425    HD2  ARG  64           HD2      ARG  64 -16.207  -8.094 -14.144
  426    HD3  ARG  64           HD1      ARG  64 -15.413  -9.531 -14.787
  427    HE   ARG  64           HE       ARG  64 -17.800  -8.821 -16.211
  428   HH11  ARG  64          HH11      ARG  64 -14.376  -8.215 -15.915
  429   HH12  ARG  64          HH12      ARG  64 -14.207  -7.658 -17.546
  430   HH21  ARG  64          HH21      ARG  64 -17.579  -8.090 -18.357
  431   HH22  ARG  64          HH22      ARG  64 -16.025  -7.587 -18.933
  432    H    GLY  65           HN       GLY  65 -15.546 -12.924 -10.648
  433    HA2  GLY  65           HA2      GLY  65 -16.873 -15.001 -10.126
  434    HA3  GLY  65           HA1      GLY  65 -16.336 -15.565 -11.702
  435    H    ASP  66           HN       ASP  66 -14.455 -16.614 -11.861
  436    HA   ASP  66           HA       ASP  66 -12.201 -16.235 -10.287
  437    HB2  ASP  66           HB2      ASP  66 -12.310 -18.378  -8.924
  438    HB3  ASP  66           HB1      ASP  66 -13.343 -17.061  -8.375
  439    H    TRP  67           HN       TRP  67 -11.218 -16.481 -12.246
  440    HA   TRP  67           HA       TRP  67 -11.110 -19.228 -13.314
  441    HB2  TRP  67           HB2      TRP  67 -10.212 -17.449 -15.313
  442    HB3  TRP  67           HB1      TRP  67 -11.703 -18.384 -15.307
  443    HD1  TRP  67           HD1      TRP  67 -10.519 -14.947 -13.878
  444    HE1  TRP  67           HE1      TRP  67 -12.470 -13.306 -14.110
  445    HE3  TRP  67           HE3      TRP  67 -13.996 -18.108 -15.864
  446    HZ2  TRP  67           HZ2      TRP  67 -15.131 -13.333 -15.028
  447    HZ3  TRP  67           HZ3      TRP  67 -16.231 -17.220 -16.401
  448    HH2  TRP  67           HH2      TRP  67 -16.785 -14.876 -15.990
  449    H    ASN  68           HN       ASN  68  -9.282 -16.243 -13.675
  450    HA   ASN  68           HA       ASN  68  -6.783 -17.712 -13.227
  451    HB2  ASN  68           HB2      ASN  68  -6.887 -14.898 -14.256
  452    HB3  ASN  68           HB1      ASN  68  -5.697 -16.155 -14.577
  453   HD21  ASN  68          HD21      ASN  68  -9.045 -15.214 -15.201
  454   HD22  ASN  68          HD22      ASN  68  -9.162 -15.985 -16.742
  455    H    ASP  69           HN       ASP  69  -8.721 -14.992 -12.208
  456    HA   ASP  69           HA       ASP  69  -8.727 -13.704 -10.343
  457    HB2  ASP  69           HB2      ASP  69  -7.191 -16.100  -9.424
  458    HB3  ASP  69           HB1      ASP  69  -7.363 -14.705  -8.365
  459    H    ASP  70           HN       ASP  70  -7.641 -12.019  -9.432
  460    HA   ASP  70           HA       ASP  70  -5.029 -11.453 -10.558
  461    HB2  ASP  70           HB2      ASP  70  -6.936  -9.777 -10.530
  462    HB3  ASP  70           HB1      ASP  70  -6.717  -9.686  -8.789
  463    H    TYR  71           HN       TYR  71  -3.180 -11.791  -9.464
  464    HA   TYR  71           HA       TYR  71  -3.326 -11.798  -6.530
  465    HB2  TYR  71           HB2      TYR  71  -2.294 -13.943  -8.329
  466    HB3  TYR  71           HB1      TYR  71  -1.620 -13.739  -6.713
  467    HD1  TYR  71           HD1      TYR  71  -3.202 -13.759  -4.765
  468    HD2  TYR  71           HD2      TYR  71  -4.307 -15.079  -8.637
  469    HE1  TYR  71           HE1      TYR  71  -5.070 -14.998  -3.781
  470    HE2  TYR  71           HE2      TYR  71  -6.193 -16.321  -7.690
  471    HH   TYR  71           HH       TYR  71  -6.582 -17.376  -5.078
  472    H    CYS  72           HN       CYS  72  -1.624 -11.125  -5.410
  473    HA   CYS  72           HA       CYS  72   0.254  -9.413  -6.685
  474    HB2  CYS  72           HB2      CYS  72  -0.727  -9.223  -4.325
  475    HB3  CYS  72           HB1      CYS  72   0.444 -10.453  -3.862
  476    H    THR  73           HN       THR  73   2.644  -9.615  -6.285
  477    HA   THR  73           HA       THR  73   3.493 -12.430  -6.473
  478    HB   THR  73           HB       THR  73   5.000 -11.934  -8.197
  479    HG1  THR  73           HG1      THR  73   4.638  -9.218  -7.490
  480   HG21  THR  73          HG21      THR  73   3.120  -9.905  -9.160
  481   HG22  THR  73          HG22      THR  73   2.389 -11.432  -8.661
  482   HG23  THR  73          HG23      THR  73   3.646 -11.418  -9.900
  483    H    GLY  74           HN       GLY  74   3.502 -10.051  -4.379
  484    HA2  GLY  74           HA2      GLY  74   4.854  -9.352  -2.665
  485    HA3  GLY  74           HA1      GLY  74   5.562 -10.954  -2.785
  486    H    LYS  75           HN       LYS  75   5.747  -8.737  -5.467
  487    HA   LYS  75           HA       LYS  75   8.494  -8.027  -4.740
  488    HB2  LYS  75           HB2      LYS  75   7.676  -9.306  -7.349
  489    HB3  LYS  75           HB1      LYS  75   9.244  -8.566  -7.056
  490    HG2  LYS  75           HG2      LYS  75   9.294 -10.228  -5.026
  491    HG3  LYS  75           HG1      LYS  75   8.118 -11.109  -6.004
  492    HD2  LYS  75           HD2      LYS  75  10.017 -10.521  -7.858
  493    HD3  LYS  75           HD1      LYS  75  11.003 -10.718  -6.408
  494    HE2  LYS  75           HE2      LYS  75  10.875 -12.852  -7.422
  495    HE3  LYS  75           HE1      LYS  75   9.799 -12.899  -6.026
  496    HZ1  LYS  75           HZ1      LYS  75   7.920 -12.559  -7.484
  497    HZ2  LYS  75           HZ2      LYS  75   8.801 -13.909  -7.996
  498    HZ3  LYS  75           HZ3      LYS  75   8.937 -12.445  -8.832
  499    H    SER  76           HN       SER  76   5.612  -6.814  -5.428
  500    HA   SER  76           HA       SER  76   6.644  -4.301  -6.254
  501    HB2  SER  76           HB2      SER  76   5.007  -4.421  -8.382
  502    HB3  SER  76           HB1      SER  76   6.721  -4.825  -8.473
  503    HG   SER  76           HG       SER  76   4.493  -6.469  -8.604
  504    H    SER  77           HN       SER  77   4.818  -2.738  -6.772
  505    HA   SER  77           HA       SER  77   2.715  -3.130  -4.798
  506    HB2  SER  77           HB2      SER  77   2.696  -0.876  -4.591
  507    HB3  SER  77           HB1      SER  77   4.228  -0.952  -5.458
  508    HG   SER  77           HG       SER  77   2.835   0.522  -6.455
  509    H    ASP  78           HN       ASP  78   2.929  -4.240  -7.739
  510    HA   ASP  78           HA       ASP  78   0.217  -3.427  -8.549
  511    HB2  ASP  78           HB2      ASP  78   2.519  -4.496 -10.193
  512    HB3  ASP  78           HB1      ASP  78   0.885  -4.287 -10.818
  513    H    CYS  79           HN       CYS  79  -1.283  -4.993  -9.130
  514    HA   CYS  79           HA       CYS  79  -0.591  -7.755  -8.359
  515    HB2  CYS  79           HB2      CYS  79  -2.256  -6.221  -6.936
  516    HB3  CYS  79           HB1      CYS  79  -3.405  -6.818  -8.128
  517    HA   PRO  80           HA       PRO  80  -1.766  -8.179 -12.756
  518    HB2  PRO  80           HB2      PRO  80  -1.002 -10.822 -12.878
  519    HB3  PRO  80           HB1      PRO  80   0.083  -9.457 -13.163
  520    HG2  PRO  80           HG2      PRO  80  -0.294 -11.096 -10.690
  521    HG3  PRO  80           HG1      PRO  80   1.205 -10.477 -11.408
  522    HD2  PRO  80           HD2      PRO  80   0.069  -9.297  -9.280
  523    HD3  PRO  80           HD1      PRO  80   0.891  -8.352 -10.539
  524    H    TRP  81           HN       TRP  81  -3.579  -9.051 -13.694
  525    HA   TRP  81           HA       TRP  81  -5.557 -10.168 -11.922
  526    HB2  TRP  81           HB2      TRP  81  -5.935  -9.927 -14.883
  527    HB3  TRP  81           HB1      TRP  81  -7.138  -9.840 -13.607
  528    HD1  TRP  81           HD1      TRP  81  -3.986  -7.554 -13.744
  529    HE1  TRP  81           HE1      TRP  81  -4.814  -5.134 -13.984
  530    HE3  TRP  81           HE3      TRP  81  -8.956  -8.477 -14.286
  531    HZ2  TRP  81           HZ2      TRP  81  -7.272  -3.794 -14.370
  532    HZ3  TRP  81           HZ3      TRP  81 -10.498  -6.575 -14.591
  533    HH2  TRP  81           HH2      TRP  81  -9.667  -4.278 -14.630
  534    H    ASN  82           HN       ASN  82  -3.524 -11.213 -14.500
  535    HA   ASN  82           HA       ASN  82  -2.818 -13.311 -15.091
  536    HB2  ASN  82           HB2      ASN  82  -5.063 -14.466 -13.425
  537    HB3  ASN  82           HB1      ASN  82  -3.641 -15.304 -14.035
  538   HD21  ASN  82          HD21      ASN  82  -3.772 -15.798 -11.602
  539   HD22  ASN  82          HD22      ASN  82  -2.816 -14.778 -10.587
  540    H    HIS  83           HN       HIS  83  -4.900 -11.571 -16.239
  541    HA   HIS  83           HA       HIS  83  -6.555 -13.512 -17.687
  542    HB2  HIS  83           HB2      HIS  83  -6.796 -10.494 -17.559
  543    HB3  HIS  83           HB1      HIS  83  -7.939 -11.599 -18.320
  544    HD1  HIS  83           HD1      HIS  83  -8.667  -9.635 -15.973
  545    HD2  HIS  83           HD2      HIS  83  -7.774 -13.671 -15.560
  546    HE1  HIS  83           HE1      HIS  83  -9.736 -10.343 -13.810
  547    HE2  HIS  83           HE2      HIS  83  -9.266 -12.811 -13.631
  Start of MODEL   14
    1    H1   SER   1           HT1      SER   1  -3.556  13.627  20.890
    2    H2   SER   1           HT2      SER   1  -3.038  15.179  21.407
    3    H3   SER   1           HT3      SER   1  -1.973  14.169  20.517
    4    HA   SER   1           HA       SER   1  -3.677  14.240  18.708
    5    HB2  SER   1           HB2      SER   1  -4.659  16.315  20.644
    6    HB3  SER   1           HB1      SER   1  -4.924  16.536  18.914
    7    HG   SER   1           HG       SER   1  -6.579  15.283  19.215
    8    HA   PRO   2           HA       PRO   2   0.028  16.930  18.082
    9    HB2  PRO   2           HB2      PRO   2   0.799  15.034  16.024
   10    HB3  PRO   2           HB1      PRO   2   1.646  15.452  17.514
   11    HG2  PRO   2           HG2      PRO   2   0.498  13.021  17.090
   12    HG3  PRO   2           HG1      PRO   2   0.676  13.745  18.698
   13    HD2  PRO   2           HD2      PRO   2  -1.736  13.667  16.912
   14    HD3  PRO   2           HD1      PRO   2  -1.625  13.396  18.667
   15    HA   PRO   3           HA       PRO   3  -1.417  18.797  14.347
   16    HB2  PRO   3           HB2      PRO   3   0.769  19.910  13.287
   17    HB3  PRO   3           HB1      PRO   3   0.135  20.439  14.850
   18    HG2  PRO   3           HG2      PRO   3   2.433  18.619  14.255
   19    HG3  PRO   3           HG1      PRO   3   2.304  19.899  15.475
   20    HD2  PRO   3           HD2      PRO   3   1.962  17.211  15.990
   21    HD3  PRO   3           HD1      PRO   3   1.281  18.517  16.979
   22    H    VAL   4           HN       VAL   4  -2.080  18.045  12.445
   23    HA   VAL   4           HA       VAL   4  -1.145  15.786  11.238
   24    HB   VAL   4           HB       VAL   4  -3.392  16.800  10.997
   25   HG11  VAL   4          HG11      VAL   4  -2.284  18.620   8.901
   26   HG12  VAL   4          HG12      VAL   4  -2.373  19.125  10.587
   27   HG13  VAL   4          HG13      VAL   4  -3.842  18.675   9.722
   28   HG21  VAL   4          HG21      VAL   4  -3.632  16.339   8.566
   29   HG22  VAL   4          HG22      VAL   4  -2.866  15.062   9.500
   30   HG23  VAL   4          HG23      VAL   4  -1.887  16.132   8.494
   31    H    CYS   5           HN       CYS   5   1.065  15.891  10.972
   32    HA   CYS   5           HA       CYS   5   2.392  18.013   9.634
   33    HB2  CYS   5           HB2      CYS   5   3.774  15.446   9.406
   34    HB3  CYS   5           HB1      CYS   5   4.296  16.928  10.182
   35    H    GLY   6           HN       GLY   6   1.534  18.492   7.691
   36    HA2  GLY   6           HA2      GLY   6   1.765  18.251   5.337
   37    HA3  GLY   6           HA1      GLY   6   1.932  16.515   5.559
   38    H    ASN   7           HN       ASN   7  -0.571  17.844   7.429
   39    HA   ASN   7           HA       ASN   7  -2.837  17.699   7.359
   40    HB2  ASN   7           HB2      ASN   7  -2.072  18.505   4.622
   41    HB3  ASN   7           HB1      ASN   7  -3.658  17.746   4.738
   42   HD21  ASN   7          HD21      ASN   7  -4.737  18.589   6.967
   43   HD22  ASN   7          HD22      ASN   7  -4.850  20.312   7.030
   44    H    LYS   8           HN       LYS   8  -4.489  16.141   7.135
   45    HA   LYS   8           HA       LYS   8  -3.760  13.492   7.014
   46    HB2  LYS   8           HB2      LYS   8  -6.012  14.659   7.723
   47    HB3  LYS   8           HB1      LYS   8  -6.491  14.286   6.072
   48    HG2  LYS   8           HG2      LYS   8  -5.581  12.301   8.146
   49    HG3  LYS   8           HG1      LYS   8  -7.240  12.563   7.605
   50    HD2  LYS   8           HD2      LYS   8  -6.550  11.917   5.316
   51    HD3  LYS   8           HD1      LYS   8  -4.935  11.561   5.934
   52    HE2  LYS   8           HE2      LYS   8  -6.394  10.102   7.643
   53    HE3  LYS   8           HE1      LYS   8  -7.467  10.063   6.244
   54    HZ1  LYS   8           HZ1      LYS   8  -5.678   9.180   4.913
   55    HZ2  LYS   8           HZ2      LYS   8  -5.905   8.201   6.272
   56    HZ3  LYS   8           HZ3      LYS   8  -4.603   9.278   6.216
   57    H    ILE   9           HN       ILE   9  -2.608  12.694   5.340
   58    HA   ILE   9           HA       ILE   9  -2.606  13.493   2.732
   59    HB   ILE   9           HB       ILE   9  -1.901  11.324   1.966
   60   HG12  ILE   9          HG12      ILE   9  -3.582  10.263   3.867
   61   HG13  ILE   9          HG11      ILE   9  -2.410   9.362   2.910
   62   HG21  ILE   9          HG21      ILE   9  -0.750  12.206   4.579
   63   HG22  ILE   9          HG22      ILE   9  -0.209  12.608   2.950
   64   HG23  ILE   9          HG23      ILE   9  -0.005  10.970   3.569
   65   HD11  ILE   9          HD11      ILE   9  -1.990  10.463   5.671
   66   HD12  ILE   9          HD12      ILE   9  -0.771   9.630   4.707
   67   HD13  ILE   9          HD13      ILE   9  -2.222   8.775   5.228
   68    H    LEU  10           HN       LEU  10  -3.701  13.196   0.901
   69    HA   LEU  10           HA       LEU  10  -6.378  12.050   1.182
   70    HB2  LEU  10           HB2      LEU  10  -6.883  13.467  -0.851
   71    HB3  LEU  10           HB1      LEU  10  -6.548  14.333   0.637
   72    HG   LEU  10           HG       LEU  10  -5.526  15.216  -1.547
   73   HD11  LEU  10          HD11      LEU  10  -3.257  15.015   0.236
   74   HD12  LEU  10          HD12      LEU  10  -4.753  15.369   1.101
   75   HD13  LEU  10          HD13      LEU  10  -4.225  16.420  -0.213
   76   HD21  LEU  10          HD21      LEU  10  -4.662  13.059  -2.349
   77   HD22  LEU  10          HD22      LEU  10  -3.546  13.014  -0.985
   78   HD23  LEU  10          HD23      LEU  10  -3.396  14.278  -2.204
   79    H    GLU  11           HN       GLU  11  -3.605  10.938   0.309
   80    HA   GLU  11           HA       GLU  11  -4.506   8.847  -1.282
   81    HB2  GLU  11           HB2      GLU  11  -3.657   9.388  -3.480
   82    HB3  GLU  11           HB1      GLU  11  -4.817  10.613  -2.990
   83    HG2  GLU  11           HG2      GLU  11  -3.305  12.153  -3.462
   84    HG3  GLU  11           HG1      GLU  11  -2.336  11.547  -2.119
   85    H    GLN  12           HN       GLN  12  -2.710   9.220   0.908
   86    HA   GLN  12           HA       GLN  12  -0.289   8.089  -0.309
   87    HB2  GLN  12           HB2      GLN  12  -0.370  10.173   1.864
   88    HB3  GLN  12           HB1      GLN  12   1.066   9.266   1.440
   89    HG2  GLN  12           HG2      GLN  12   1.501  10.992   0.101
   90    HG3  GLN  12           HG1      GLN  12   0.325  10.242  -0.979
   91   HE21  GLN  12          HE21      GLN  12   1.192  13.047   0.510
   92   HE22  GLN  12          HE22      GLN  12  -0.314  13.890   0.435
   93    H    GLY  13           HN       GLY  13  -0.520   8.742   3.113
   94    HA2  GLY  13           HA2      GLY  13  -0.984   7.319   4.906
   95    HA3  GLY  13           HA1      GLY  13  -1.404   6.053   3.759
   96    H    GLU  14           HN       GLU  14   1.500   7.674   3.138
   97    HA   GLU  14           HA       GLU  14   3.528   6.788   4.589
   98    HB2  GLU  14           HB2      GLU  14   2.250   4.448   3.373
   99    HB3  GLU  14           HB1      GLU  14   3.963   4.569   3.003
  100    HG2  GLU  14           HG2      GLU  14   4.361   4.850   5.468
  101    HG3  GLU  14           HG1      GLU  14   2.675   4.397   5.706
  102    H    ASP  15           HN       ASP  15   2.150   7.272   1.506
  103    HA   ASP  15           HA       ASP  15   4.446   7.185  -0.105
  104    HB2  ASP  15           HB2      ASP  15   2.218   7.233  -1.067
  105    HB3  ASP  15           HB1      ASP  15   1.912   8.813  -0.358
  106    H    CYS  16           HN       CYS  16   2.904   9.873   1.641
  107    HA   CYS  16           HA       CYS  16   5.153  11.139   2.508
  108    HB2  CYS  16           HB2      CYS  16   6.151  11.622   0.514
  109    HB3  CYS  16           HB1      CYS  16   4.629  11.660  -0.365
  110    H    ASP  17           HN       ASP  17   4.683  12.912   3.694
  111    HA   ASP  17           HA       ASP  17   3.511  14.542   4.739
  112    HB2  ASP  17           HB2      ASP  17   2.448  14.590   2.007
  113    HB3  ASP  17           HB1      ASP  17   1.313  15.191   3.210
  114    H    CYS  18           HN       CYS  18   3.003  11.846   5.332
  115    HA   CYS  18           HA       CYS  18   0.577  10.767   5.414
  116    HB2  CYS  18           HB2      CYS  18   2.825  10.470   6.979
  117    HB3  CYS  18           HB1      CYS  18   1.586  10.908   8.157
  118    H    GLY  19           HN       GLY  19   1.434  13.691   7.187
  119    HA2  GLY  19           HA2      GLY  19   0.075  15.259   8.208
  120    HA3  GLY  19           HA1      GLY  19  -1.256  14.540   7.322
  121    H    SER  20           HN       SER  20  -1.874  12.256   8.246
  122    HA   SER  20           HA       SER  20  -2.971  12.662  10.719
  123    HB2  SER  20           HB2      SER  20  -3.405  10.286  10.823
  124    HB3  SER  20           HB1      SER  20  -3.665  10.874   9.182
  125    HG   SER  20           HG       SER  20  -2.378   8.854   9.506
  126    HA   PRO  21           HA       PRO  21   0.854  12.777  13.035
  127    HB2  PRO  21           HB2      PRO  21  -0.500  13.255  15.423
  128    HB3  PRO  21           HB1      PRO  21   0.091  14.492  14.312
  129    HG2  PRO  21           HG2      PRO  21  -2.652  13.361  14.606
  130    HG3  PRO  21           HG1      PRO  21  -2.153  15.022  14.242
  131    HD2  PRO  21           HD2      PRO  21  -3.094  13.374  12.335
  132    HD3  PRO  21           HD1      PRO  21  -1.825  14.558  11.994
  133    H    ALA  22           HN       ALA  22  -1.962  10.794  13.563
  134    HA   ALA  22           HA       ALA  22  -1.026   9.209  15.681
  135    HB1  ALA  22           HB1      ALA  22  -2.678   8.028  13.488
  136    HB2  ALA  22           HB2      ALA  22  -3.358   9.293  14.512
  137    HB3  ALA  22           HB3      ALA  22  -2.789   7.786  15.231
  138    H    ASN  23           HN       ASN  23  -0.027   9.458  12.422
  139    HA   ASN  23           HA       ASN  23   1.677   7.085  12.737
  140    HB2  ASN  23           HB2      ASN  23   0.461   8.043  10.139
  141    HB3  ASN  23           HB1      ASN  23   1.431   6.592  10.380
  142   HD21  ASN  23          HD21      ASN  23  -1.096   6.562   9.231
  143   HD22  ASN  23          HD22      ASN  23  -2.174   5.714  10.280
  144    H    CYS  24           HN       CYS  24   1.749  10.324  12.710
  145    HA   CYS  24           HA       CYS  24   3.818  10.857  10.811
  146    HB2  CYS  24           HB2      CYS  24   2.210  12.589  11.604
  147    HB3  CYS  24           HB1      CYS  24   2.964  12.522  13.192
  148    H    GLN  25           HN       GLN  25   5.514   9.470  11.196
  149    HA   GLN  25           HA       GLN  25   7.495   8.792  12.079
  150    HB2  GLN  25           HB2      GLN  25   7.232  11.263  13.803
  151    HB3  GLN  25           HB1      GLN  25   8.701  10.328  13.562
  152    HG2  GLN  25           HG2      GLN  25   7.448  11.258  11.088
  153    HG3  GLN  25           HG1      GLN  25   8.002  12.546  12.157
  154   HE21  GLN  25          HE21      GLN  25   9.925  13.235  11.584
  155   HE22  GLN  25          HE22      GLN  25  11.238  12.260  11.025
  156    H    ASP  26           HN       ASP  26   5.815   7.152  12.948
  157    HA   ASP  26           HA       ASP  26   6.617   6.350  15.503
  158    HB2  ASP  26           HB2      ASP  26   4.929   8.392  15.855
  159    HB3  ASP  26           HB1      ASP  26   3.743   7.099  15.697
  160    H    ARG  27           HN       ARG  27   4.040   6.270  13.090
  161    HA   ARG  27           HA       ARG  27   3.368   3.533  13.785
  162    HB2  ARG  27           HB2      ARG  27   1.541   5.022  13.233
  163    HB3  ARG  27           HB1      ARG  27   2.264   5.392  11.677
  164    HG2  ARG  27           HG2      ARG  27   0.690   3.870  11.046
  165    HG3  ARG  27           HG1      ARG  27   2.060   2.795  11.327
  166    HD2  ARG  27           HD2      ARG  27  -0.315   3.301  13.097
  167    HD3  ARG  27           HD1      ARG  27   0.219   1.780  12.390
  168    HE   ARG  27           HE       ARG  27   1.889   1.619  14.021
  169   HH11  ARG  27          HH11      ARG  27   0.002   4.538  14.410
  170   HH12  ARG  27          HH12      ARG  27   0.547   4.817  16.028
  171   HH21  ARG  27          HH21      ARG  27   2.601   1.994  16.146
  172   HH22  ARG  27          HH22      ARG  27   2.021   3.377  17.012
  173    H    CYS  28           HN       CYS  28   3.513   4.646  10.446
  174    HA   CYS  28           HA       CYS  28   5.893   3.112   9.878
  175    HB2  CYS  28           HB2      CYS  28   3.583   1.681   9.880
  176    HB3  CYS  28           HB1      CYS  28   3.624   2.226   8.207
  177    H    CYS  29           HN       CYS  29   4.719   5.872   9.547
  178    HA   CYS  29           HA       CYS  29   5.522   6.197   6.752
  179    HB2  CYS  29           HB2      CYS  29   3.641   7.617   6.218
  180    HB3  CYS  29           HB1      CYS  29   3.047   6.049   6.756
  181    H    ASN  30           HN       ASN  30   5.892   8.464   6.187
  182    HA   ASN  30           HA       ASN  30   6.895   9.969   8.508
  183    HB2  ASN  30           HB2      ASN  30   7.958   9.635   5.721
  184    HB3  ASN  30           HB1      ASN  30   8.385  11.033   6.685
  185   HD21  ASN  30          HD21      ASN  30   8.678  10.026   9.166
  186   HD22  ASN  30          HD22      ASN  30   9.956   8.865   9.205
  187    H    ALA  31           HN       ALA  31   5.189  11.210   8.926
  188    HA   ALA  31           HA       ALA  31   3.850  12.720   6.852
  189    HB1  ALA  31           HB1      ALA  31   3.068  13.816   9.269
  190    HB2  ALA  31           HB2      ALA  31   3.379  12.132   9.663
  191    HB3  ALA  31           HB3      ALA  31   2.233  12.539   8.398
  192    H    ALA  32           HN       ALA  32   6.513  13.017   8.968
  193    HA   ALA  32           HA       ALA  32   6.719  15.915   8.508
  194    HB1  ALA  32           HB1      ALA  32   6.891  14.976  10.849
  195    HB2  ALA  32           HB2      ALA  32   8.229  16.003  10.335
  196    HB3  ALA  32           HB3      ALA  32   8.419  14.249  10.351
  197    H    THR  33           HN       THR  33   7.765  12.987   7.279
  198    HA   THR  33           HA       THR  33  10.204  14.202   6.189
  199    HB   THR  33           HB       THR  33  10.173  11.318   6.017
  200    HG1  THR  33           HG1      THR  33  10.537  11.261   8.447
  201   HG21  THR  33          HG21      THR  33  11.977  12.963   7.721
  202   HG22  THR  33          HG22      THR  33  12.131  12.941   5.964
  203   HG23  THR  33          HG23      THR  33  12.308  11.447   6.885
  204    H    CYS  34           HN       CYS  34   7.179  13.639   5.315
  205    HA   CYS  34           HA       CYS  34   6.080  13.171   3.382
  206    HB2  CYS  34           HB2      CYS  34   6.953  15.252   2.732
  207    HB3  CYS  34           HB1      CYS  34   8.567  14.599   2.487
  208    H    LYS  35           HN       LYS  35   6.965  10.812   4.191
  209    HA   LYS  35           HA       LYS  35   7.224   9.346   1.794
  210    HB2  LYS  35           HB2      LYS  35   9.667  10.321   2.775
  211    HB3  LYS  35           HB1      LYS  35   9.628   8.612   3.187
  212    HG2  LYS  35           HG2      LYS  35   8.731   9.049   0.481
  213    HG3  LYS  35           HG1      LYS  35  10.336   9.735   0.746
  214    HD2  LYS  35           HD2      LYS  35   9.993   7.085   1.925
  215    HD3  LYS  35           HD1      LYS  35   9.788   7.104   0.172
  216    HE2  LYS  35           HE2      LYS  35  12.147   8.281   1.635
  217    HE3  LYS  35           HE1      LYS  35  12.124   6.676   0.906
  218    HZ1  LYS  35           HZ1      LYS  35  12.970   7.803  -0.834
  219    HZ2  LYS  35           HZ2      LYS  35  12.310   9.286  -0.360
  220    HZ3  LYS  35           HZ3      LYS  35  11.345   8.148  -1.157
  221    H    LEU  36           HN       LEU  36   8.052   6.996   2.377
  222    HA   LEU  36           HA       LEU  36   6.313   6.089   4.518
  223    HB2  LEU  36           HB2      LEU  36   6.974   3.813   3.706
  224    HB3  LEU  36           HB1      LEU  36   6.194   4.821   2.502
  225    HG   LEU  36           HG       LEU  36   9.140   4.948   2.513
  226   HD11  LEU  36          HD11      LEU  36   9.356   2.712   2.711
  227   HD12  LEU  36          HD12      LEU  36   8.887   2.740   1.011
  228   HD13  LEU  36          HD13      LEU  36   7.682   2.398   2.252
  229   HD21  LEU  36          HD21      LEU  36   7.315   5.905   0.872
  230   HD22  LEU  36          HD22      LEU  36   7.446   4.299   0.156
  231   HD23  LEU  36          HD23      LEU  36   8.872   5.330   0.275
  232    H    THR  37           HN       THR  37   7.158   4.411   6.086
  233    HA   THR  37           HA       THR  37   9.618   5.424   7.231
  234    HB   THR  37           HB       THR  37   9.089   3.756   9.065
  235    HG1  THR  37           HG1      THR  37   7.673   2.330   8.497
  236   HG21  THR  37          HG21      THR  37   6.933   5.002   9.743
  237   HG22  THR  37          HG22      THR  37   7.277   6.004   8.333
  238   HG23  THR  37          HG23      THR  37   8.456   5.883   9.640
  239    HA   PRO  38           HA       PRO  38  12.682   2.536   6.018
  240    HB2  PRO  38           HB2      PRO  38  12.922   1.984   8.952
  241    HB3  PRO  38           HB1      PRO  38  14.194   2.313   7.767
  242    HG2  PRO  38           HG2      PRO  38  13.423   4.217   9.427
  243    HG3  PRO  38           HG1      PRO  38  13.725   4.599   7.720
  244    HD2  PRO  38           HD2      PRO  38  11.133   4.296   9.165
  245    HD3  PRO  38           HD1      PRO  38  11.567   5.394   7.839
  246    H    GLY  39           HN       GLY  39  12.866   0.383   5.554
  247    HA2  GLY  39           HA2      GLY  39  12.457  -1.894   5.653
  248    HA3  GLY  39           HA1      GLY  39  11.574  -1.637   7.148
  249    H    SER  40           HN       SER  40  10.278   0.500   5.013
  250    HA   SER  40           HA       SER  40   8.008  -1.253   4.529
  251    HB2  SER  40           HB2      SER  40   7.465   0.919   5.411
  252    HB3  SER  40           HB1      SER  40   8.401   1.722   4.151
  253    HG   SER  40           HG       SER  40   6.145   0.084   3.636
  254    H    GLN  41           HN       GLN  41   7.813  -2.345   2.699
  255    HA   GLN  41           HA       GLN  41   9.519  -1.873   0.459
  256    HB2  GLN  41           HB2      GLN  41   7.388  -3.820   1.163
  257    HB3  GLN  41           HB1      GLN  41   7.720  -3.589  -0.548
  258    HG2  GLN  41           HG2      GLN  41  10.230  -3.867   0.451
  259    HG3  GLN  41           HG1      GLN  41   9.305  -4.920   1.520
  260   HE21  GLN  41          HE21      GLN  41   7.765  -6.409   0.357
  261   HE22  GLN  41          HE22      GLN  41   8.353  -7.167  -1.080
  262    H    CYS  42           HN       CYS  42   6.268  -0.974   1.315
  263    HA   CYS  42           HA       CYS  42   6.150   0.840  -0.934
  264    HB2  CYS  42           HB2      CYS  42   3.960  -0.001  -1.722
  265    HB3  CYS  42           HB1      CYS  42   5.253  -1.173  -1.956
  266    H    ASN  43           HN       ASN  43   4.567   2.454  -0.703
  267    HA   ASN  43           HA       ASN  43   3.864   2.980   2.042
  268    HB2  ASN  43           HB2      ASN  43   2.880   5.102   1.032
  269    HB3  ASN  43           HB1      ASN  43   4.616   4.879   0.834
  270   HD21  ASN  43          HD21      ASN  43   5.218   5.615  -1.062
  271   HD22  ASN  43          HD22      ASN  43   4.388   5.381  -2.559
  272    H    TYR  44           HN       TYR  44   2.279   1.946  -0.876
  273    HA   TYR  44           HA       TYR  44   0.067   0.856   0.436
  274    HB2  TYR  44           HB2      TYR  44  -1.724   2.372  -0.118
  275    HB3  TYR  44           HB1      TYR  44  -0.509   3.265   0.790
  276    HD1  TYR  44           HD2      TYR  44  -1.644   2.564  -2.684
  277    HD2  TYR  44           HD1      TYR  44   0.359   5.256  -0.070
  278    HE1  TYR  44           HE2      TYR  44  -1.536   4.223  -4.490
  279    HE2  TYR  44           HE1      TYR  44   0.471   6.928  -1.863
  280    HH   TYR  44           HH       TYR  44  -0.690   7.478  -3.946
  281    H    GLY  45           HN       GLY  45  -1.734   0.305  -1.196
  282    HA2  GLY  45           HA2      GLY  45  -1.920   0.375  -3.791
  283    HA3  GLY  45           HA1      GLY  45  -0.390  -0.482  -3.685
  284    H    GLU  46           HN       GLU  46  -2.150  -1.815  -5.025
  285    HA   GLU  46           HA       GLU  46  -4.075  -3.330  -3.691
  286    HB2  GLU  46           HB2      GLU  46  -2.542  -3.627  -6.223
  287    HB3  GLU  46           HB1      GLU  46  -3.390  -5.043  -5.617
  288    HG2  GLU  46           HG2      GLU  46  -5.396  -4.233  -6.171
  289    HG3  GLU  46           HG1      GLU  46  -5.000  -2.606  -5.621
  290    H    CYS  47           HN       CYS  47  -0.635  -3.997  -4.234
  291    HA   CYS  47           HA       CYS  47  -0.820  -6.471  -2.709
  292    HB2  CYS  47           HB2      CYS  47   1.227  -5.202  -4.464
  293    HB3  CYS  47           HB1      CYS  47   1.794  -6.313  -3.223
  294    H    CYS  48           HN       CYS  48  -0.384  -3.239  -1.987
  295    HA   CYS  48           HA       CYS  48   1.636  -3.517   0.023
  296    HB2  CYS  48           HB2      CYS  48   0.639  -1.392  -1.328
  297    HB3  CYS  48           HB1      CYS  48  -0.215  -1.223   0.202
  298    H    ASP  49           HN       ASP  49   1.452  -3.934   2.124
  299    HA   ASP  49           HA       ASP  49  -1.164  -3.856   3.414
  300    HB2  ASP  49           HB2      ASP  49  -0.127  -6.258   2.468
  301    HB3  ASP  49           HB1      ASP  49   0.295  -6.262   4.178
  302    H    GLN  50           HN       GLN  50  -0.720  -2.407   4.960
  303    HA   GLN  50           HA       GLN  50   0.125  -1.539   6.890
  304    HB2  GLN  50           HB2      GLN  50   0.417  -4.210   7.267
  305    HB3  GLN  50           HB1      GLN  50   2.095  -3.693   7.360
  306    HG2  GLN  50           HG2      GLN  50   1.647  -3.345   9.516
  307    HG3  GLN  50           HG1      GLN  50   0.887  -1.857   8.952
  308   HE21  GLN  50          HE21      GLN  50  -1.443  -2.087   8.335
  309   HE22  GLN  50          HE22      GLN  50  -2.432  -3.078   9.347
  310    H    CYS  51           HN       CYS  51   2.922  -3.332   5.586
  311    HA   CYS  51           HA       CYS  51   4.172  -0.969   4.581
  312    HB2  CYS  51           HB2      CYS  51   4.719  -1.797   7.330
  313    HB3  CYS  51           HB1      CYS  51   6.177  -1.686   6.349
  314    H    ARG  52           HN       ARG  52   3.482  -3.688   3.743
  315    HA   ARG  52           HA       ARG  52   5.996  -4.345   2.488
  316    HB2  ARG  52           HB2      ARG  52   4.870  -5.966   4.685
  317    HB3  ARG  52           HB1      ARG  52   5.358  -6.870   3.259
  318    HG2  ARG  52           HG2      ARG  52   7.301  -4.886   4.231
  319    HG3  ARG  52           HG1      ARG  52   7.004  -6.262   5.295
  320    HD2  ARG  52           HD2      ARG  52   7.576  -7.807   3.549
  321    HD3  ARG  52           HD1      ARG  52   7.689  -6.502   2.370
  322    HE   ARG  52           HE       ARG  52   9.813  -6.097   3.095
  323   HH11  ARG  52          HH11      ARG  52   8.141  -7.929   5.551
  324   HH12  ARG  52          HH12      ARG  52   9.551  -8.136   6.534
  325   HH21  ARG  52          HH21      ARG  52  11.669  -6.369   4.387
  326   HH22  ARG  52          HH22      ARG  52  11.554  -7.250   5.873
  327    H    PHE  53           HN       PHE  53   5.635  -6.384   1.033
  328    HA   PHE  53           HA       PHE  53   3.182  -5.872  -0.442
  329    HB2  PHE  53           HB2      PHE  53   5.696  -7.403  -1.077
  330    HB3  PHE  53           HB1      PHE  53   4.262  -7.527  -2.092
  331    HD1  PHE  53           HD2      PHE  53   3.405  -4.603  -1.730
  332    HD2  PHE  53           HD1      PHE  53   7.119  -6.433  -2.710
  333    HE1  PHE  53           HE2      PHE  53   4.078  -2.578  -2.924
  334    HE2  PHE  53           HE1      PHE  53   7.804  -4.398  -3.912
  335    HZ   PHE  53           HZ       PHE  53   6.283  -2.463  -4.023
  336    H    LYS  54           HN       LYS  54   1.617  -7.367  -0.910
  337    HA   LYS  54           HA       LYS  54   1.186  -9.391   1.044
  338    HB2  LYS  54           HB2      LYS  54  -0.285  -8.189  -1.151
  339    HB3  LYS  54           HB1      LYS  54  -0.520  -9.931  -1.109
  340    HG2  LYS  54           HG2      LYS  54  -1.563  -9.877   0.938
  341    HG3  LYS  54           HG1      LYS  54  -0.794  -8.360   1.408
  342    HD2  LYS  54           HD2      LYS  54  -2.570  -8.237  -0.946
  343    HD3  LYS  54           HD1      LYS  54  -3.358  -8.551   0.602
  344    HE2  LYS  54           HE2      LYS  54  -1.710  -6.541   1.306
  345    HE3  LYS  54           HE1      LYS  54  -1.995  -6.126  -0.383
  346    HZ1  LYS  54           HZ1      LYS  54  -4.240  -6.758   1.427
  347    HZ2  LYS  54           HZ2      LYS  54  -4.261  -5.883  -0.020
  348    HZ3  LYS  54           HZ3      LYS  54  -3.581  -5.200   1.370
  349    H    LYS  55           HN       LYS  55   2.225 -11.265   1.100
  350    HA   LYS  55           HA       LYS  55   3.995 -12.338  -0.603
  351    HB2  LYS  55           HB2      LYS  55   3.431 -13.274   1.614
  352    HB3  LYS  55           HB1      LYS  55   1.963 -13.962   0.934
  353    HG2  LYS  55           HG2      LYS  55   3.231 -15.795   0.701
  354    HG3  LYS  55           HG1      LYS  55   3.805 -14.980  -0.755
  355    HD2  LYS  55           HD2      LYS  55   5.201 -14.234   1.723
  356    HD3  LYS  55           HD1      LYS  55   5.414 -15.913   1.224
  357    HE2  LYS  55           HE2      LYS  55   7.066 -15.082  -0.053
  358    HE3  LYS  55           HE1      LYS  55   5.753 -14.624  -1.137
  359    HZ1  LYS  55           HZ1      LYS  55   6.369 -12.732   0.979
  360    HZ2  LYS  55           HZ2      LYS  55   5.990 -12.455  -0.646
  361    HZ3  LYS  55           HZ3      LYS  55   7.560 -12.911  -0.210
  362    H    ALA  56           HN       ALA  56   4.055 -13.186  -2.575
  363    HA   ALA  56           HA       ALA  56   2.123 -13.043  -4.447
  364    HB1  ALA  56           HB1      ALA  56   4.438 -14.891  -4.158
  365    HB2  ALA  56           HB2      ALA  56   4.138 -13.633  -5.358
  366    HB3  ALA  56           HB3      ALA  56   3.278 -15.170  -5.458
  367    H    GLY  57           HN       GLY  57   0.354 -14.118  -5.055
  368    HA2  GLY  57           HA2      GLY  57  -0.904 -16.220  -5.173
  369    HA3  GLY  57           HA1      GLY  57  -0.309 -16.587  -3.558
  370    H    THR  58           HN       THR  58  -0.761 -13.520  -3.121
  371    HA   THR  58           HA       THR  58  -3.367 -13.831  -1.939
  372    HB   THR  58           HB       THR  58  -1.534 -11.426  -2.156
  373    HG1  THR  58           HG1      THR  58  -0.698 -13.063  -0.844
  374   HG21  THR  58          HG21      THR  58  -3.059 -10.149  -1.214
  375   HG22  THR  58          HG22      THR  58  -3.351 -11.343   0.051
  376   HG23  THR  58          HG23      THR  58  -4.236 -11.440  -1.474
  377    H    VAL  59           HN       VAL  59  -5.195 -13.585  -3.074
  378    HA   VAL  59           HA       VAL  59  -5.167 -12.406  -5.672
  379    HB   VAL  59           HB       VAL  59  -6.653 -14.290  -5.179
  380   HG11  VAL  59          HG11      VAL  59  -7.139 -13.192  -2.808
  381   HG12  VAL  59          HG12      VAL  59  -8.255 -14.326  -3.570
  382   HG13  VAL  59          HG13      VAL  59  -8.553 -12.591  -3.674
  383   HG21  VAL  59          HG21      VAL  59  -8.754 -13.337  -6.132
  384   HG22  VAL  59          HG22      VAL  59  -7.292 -12.907  -7.021
  385   HG23  VAL  59          HG23      VAL  59  -8.046 -11.733  -5.943
  386    H    CYS  60           HN       CYS  60  -5.379 -10.341  -6.174
  387    HA   CYS  60           HA       CYS  60  -6.597  -8.528  -4.196
  388    HB2  CYS  60           HB2      CYS  60  -4.931  -7.639  -6.536
  389    HB3  CYS  60           HB1      CYS  60  -5.282  -6.769  -5.047
  390    H    ARG  61           HN       ARG  61  -6.919  -9.791  -7.392
  391    HA   ARG  61           HA       ARG  61  -9.419  -8.341  -7.727
  392    HB2  ARG  61           HB2      ARG  61  -7.061  -7.494  -9.035
  393    HB3  ARG  61           HB1      ARG  61  -8.051  -8.277 -10.259
  394    HG2  ARG  61           HG2      ARG  61  -9.922  -6.761  -9.100
  395    HG3  ARG  61           HG1      ARG  61  -8.504  -5.773  -8.761
  396    HD2  ARG  61           HD2      ARG  61  -9.762  -6.477 -11.368
  397    HD3  ARG  61           HD1      ARG  61  -9.152  -4.927 -10.798
  398    HE   ARG  61           HE       ARG  61  -7.752  -6.773 -12.380
  399   HH11  ARG  61          HH11      ARG  61  -7.247  -4.679  -9.630
  400   HH12  ARG  61          HH12      ARG  61  -5.545  -4.531  -9.902
  401   HH21  ARG  61          HH21      ARG  61  -5.519  -6.580 -12.734
  402   HH22  ARG  61          HH22      ARG  61  -4.563  -5.605 -11.666
  403    H    ILE  62           HN       ILE  62 -10.274  -9.022 -10.087
  404    HA   ILE  62           HA       ILE  62  -9.662 -11.513 -11.152
  405    HB   ILE  62           HB       ILE  62 -10.360 -12.497  -9.057
  406   HG12  ILE  62          HG12      ILE  62 -12.197 -13.956  -9.864
  407   HG13  ILE  62          HG11      ILE  62 -12.449 -12.856 -11.215
  408   HG21  ILE  62          HG21      ILE  62 -12.288 -12.020  -7.913
  409   HG22  ILE  62          HG22      ILE  62 -13.145 -11.497  -9.366
  410   HG23  ILE  62          HG23      ILE  62 -11.934 -10.447  -8.628
  411   HD11  ILE  62          HD11      ILE  62 -10.072 -13.316 -11.884
  412   HD12  ILE  62          HD12      ILE  62 -11.188 -14.673 -12.030
  413   HD13  ILE  62          HD13      ILE  62 -10.067 -14.597 -10.672
  414    H    ALA  63           HN       ALA  63 -10.720 -11.751 -13.025
  415    HA   ALA  63           HA       ALA  63 -12.307  -9.636 -13.973
  416    HB1  ALA  63           HB1      ALA  63 -12.697 -11.824 -15.697
  417    HB2  ALA  63           HB2      ALA  63 -11.049 -11.942 -15.081
  418    HB3  ALA  63           HB3      ALA  63 -11.587 -10.470 -15.886
  419    H    ARG  64           HN       ARG  64 -13.643 -12.813 -14.605
  420    HA   ARG  64           HA       ARG  64 -15.895 -12.282 -12.826
  421    HB2  ARG  64           HB2      ARG  64 -16.073 -12.524 -15.818
  422    HB3  ARG  64           HB1      ARG  64 -17.439 -12.923 -14.787
  423    HG2  ARG  64           HG2      ARG  64 -16.036 -10.260 -14.805
  424    HG3  ARG  64           HG1      ARG  64 -17.515 -10.627 -15.695
  425    HD2  ARG  64           HD2      ARG  64 -18.589 -11.230 -13.531
  426    HD3  ARG  64           HD1      ARG  64 -17.133 -10.678 -12.705
  427    HE   ARG  64           HE       ARG  64 -17.794  -8.512 -13.051
  428   HH11  ARG  64          HH11      ARG  64 -19.693 -10.616 -15.086
  429   HH12  ARG  64          HH12      ARG  64 -20.782  -9.364 -15.579
  430   HH21  ARG  64          HH21      ARG  64 -19.226  -6.863 -13.698
  431   HH22  ARG  64          HH22      ARG  64 -20.517  -7.233 -14.792
  432    H    GLY  65           HN       GLY  65 -15.115 -14.104 -11.643
  433    HA2  GLY  65           HA2      GLY  65 -16.135 -16.384 -11.424
  434    HA3  GLY  65           HA1      GLY  65 -15.516 -16.672 -13.045
  435    H    ASP  66           HN       ASP  66 -13.515 -17.429 -13.293
  436    HA   ASP  66           HA       ASP  66 -11.335 -16.979 -11.640
  437    HB2  ASP  66           HB2      ASP  66 -13.064 -18.568 -10.271
  438    HB3  ASP  66           HB1      ASP  66 -12.078 -19.782 -11.080
  439    H    TRP  67           HN       TRP  67 -10.302 -16.861 -13.580
  440    HA   TRP  67           HA       TRP  67  -9.873 -19.415 -14.993
  441    HB2  TRP  67           HB2      TRP  67  -9.155 -17.309 -16.724
  442    HB3  TRP  67           HB1      TRP  67 -10.540 -18.383 -16.871
  443    HD1  TRP  67           HD1      TRP  67  -9.745 -15.050 -14.979
  444    HE1  TRP  67           HE1      TRP  67 -11.852 -13.606 -15.059
  445    HE3  TRP  67           HE3      TRP  67 -12.837 -18.265 -17.466
  446    HZ2  TRP  67           HZ2      TRP  67 -14.479 -13.780 -16.058
  447    HZ3  TRP  67           HZ3      TRP  67 -15.141 -17.544 -17.955
  448    HH2  TRP  67           HH2      TRP  67 -15.944 -15.343 -17.262
  449    H    ASN  68           HN       ASN  68  -8.392 -16.226 -14.913
  450    HA   ASN  68           HA       ASN  68  -5.747 -17.453 -14.559
  451    HB2  ASN  68           HB2      ASN  68  -6.117 -14.574 -15.273
  452    HB3  ASN  68           HB1      ASN  68  -4.817 -15.675 -15.717
  453   HD21  ASN  68          HD21      ASN  68  -8.248 -15.012 -16.272
  454   HD22  ASN  68          HD22      ASN  68  -8.277 -15.580 -17.903
  455    H    ASP  69           HN       ASP  69  -8.054 -15.189 -13.282
  456    HA   ASP  69           HA       ASP  69  -8.234 -14.120 -11.292
  457    HB2  ASP  69           HB2      ASP  69  -6.249 -16.254 -10.638
  458    HB3  ASP  69           HB1      ASP  69  -6.659 -15.026  -9.448
  459    H    ASP  70           HN       ASP  70  -7.019 -12.848  -9.646
  460    HA   ASP  70           HA       ASP  70  -4.636 -11.623 -10.845
  461    HB2  ASP  70           HB2      ASP  70  -6.674 -10.151 -10.842
  462    HB3  ASP  70           HB1      ASP  70  -6.676 -10.257  -9.088
  463    H    TYR  71           HN       TYR  71  -2.862 -12.004  -9.679
  464    HA   TYR  71           HA       TYR  71  -3.201 -12.286  -6.774
  465    HB2  TYR  71           HB2      TYR  71  -1.843 -14.138  -8.690
  466    HB3  TYR  71           HB1      TYR  71  -1.404 -14.102  -6.984
  467    HD1  TYR  71           HD1      TYR  71  -3.275 -14.379  -5.303
  468    HD2  TYR  71           HD2      TYR  71  -3.669 -15.416  -9.397
  469    HE1  TYR  71           HE1      TYR  71  -5.144 -15.839  -4.724
  470    HE2  TYR  71           HE2      TYR  71  -5.553 -16.888  -8.859
  471    HH   TYR  71           HH       TYR  71  -6.264 -18.204  -6.549
  472    H    CYS  72           HN       CYS  72  -1.620 -11.670  -5.469
  473    HA   CYS  72           HA       CYS  72   0.142  -9.639  -6.284
  474    HB2  CYS  72           HB2      CYS  72  -0.471 -11.130  -3.822
  475    HB3  CYS  72           HB1      CYS  72   1.182 -10.528  -3.909
  476    H    THR  73           HN       THR  73   2.524  -9.695  -6.051
  477    HA   THR  73           HA       THR  73   3.627 -12.317  -6.818
  478    HB   THR  73           HB       THR  73   5.165 -11.215  -8.313
  479    HG1  THR  73           HG1      THR  73   3.951  -8.765  -7.572
  480   HG21  THR  73          HG21      THR  73   2.979  -9.639  -9.286
  481   HG22  THR  73          HG22      THR  73   2.411 -11.218  -8.742
  482   HG23  THR  73          HG23      THR  73   3.690 -11.109  -9.952
  483    H    GLY  74           HN       GLY  74   3.585 -10.087  -4.406
  484    HA2  GLY  74           HA2      GLY  74   4.942  -9.656  -2.610
  485    HA3  GLY  74           HA1      GLY  74   5.696 -11.202  -2.967
  486    H    LYS  75           HN       LYS  75   5.776  -8.804  -5.439
  487    HA   LYS  75           HA       LYS  75   8.481  -7.982  -4.660
  488    HB2  LYS  75           HB2      LYS  75   9.360  -8.415  -6.858
  489    HB3  LYS  75           HB1      LYS  75   8.625  -9.892  -6.248
  490    HG2  LYS  75           HG2      LYS  75   7.223  -9.998  -7.962
  491    HG3  LYS  75           HG1      LYS  75   6.718  -8.322  -7.738
  492    HD2  LYS  75           HD2      LYS  75   8.124  -7.553  -9.328
  493    HD3  LYS  75           HD1      LYS  75   9.402  -8.688  -8.891
  494    HE2  LYS  75           HE2      LYS  75   8.697  -9.286 -11.069
  495    HE3  LYS  75           HE1      LYS  75   8.010 -10.488  -9.979
  496    HZ1  LYS  75           HZ1      LYS  75   6.485  -8.110 -10.861
  497    HZ2  LYS  75           HZ2      LYS  75   5.893  -9.532 -10.160
  498    HZ3  LYS  75           HZ3      LYS  75   6.488  -9.554 -11.743
  499    H    SER  76           HN       SER  76   5.518  -6.918  -5.234
  500    HA   SER  76           HA       SER  76   6.335  -4.269  -5.831
  501    HB2  SER  76           HB2      SER  76   6.182  -5.712  -8.105
  502    HB3  SER  76           HB1      SER  76   4.502  -5.194  -7.970
  503    HG   SER  76           HG       SER  76   6.428  -3.802  -8.957
  504    H    SER  77           HN       SER  77   4.410  -2.800  -6.079
  505    HA   SER  77           HA       SER  77   2.369  -3.643  -4.193
  506    HB2  SER  77           HB2      SER  77   1.946  -1.399  -3.831
  507    HB3  SER  77           HB1      SER  77   3.631  -1.324  -4.345
  508    HG   SER  77           HG       SER  77   1.304  -0.619  -5.748
  509    H    ASP  78           HN       ASP  78   2.633  -4.306  -7.281
  510    HA   ASP  78           HA       ASP  78  -0.134  -3.603  -7.982
  511    HB2  ASP  78           HB2      ASP  78   2.335  -4.043  -9.607
  512    HB3  ASP  78           HB1      ASP  78   0.770  -4.398 -10.332
  513    H    CYS  79           HN       CYS  79  -1.552  -5.156  -8.710
  514    HA   CYS  79           HA       CYS  79  -0.712  -7.957  -8.313
  515    HB2  CYS  79           HB2      CYS  79  -2.676  -6.517  -6.927
  516    HB3  CYS  79           HB1      CYS  79  -3.569  -7.544  -8.043
  517    HA   PRO  80           HA       PRO  80  -1.927  -7.847 -12.707
  518    HB2  PRO  80           HB2      PRO  80  -0.716 -10.185 -13.366
  519    HB3  PRO  80           HB1      PRO  80   0.163  -8.657 -13.225
  520    HG2  PRO  80           HG2      PRO  80  -0.087 -10.887 -11.240
  521    HG3  PRO  80           HG1      PRO  80   1.355  -9.969 -11.715
  522    HD2  PRO  80           HD2      PRO  80  -0.009  -9.434  -9.447
  523    HD3  PRO  80           HD1      PRO  80   0.799  -8.164 -10.387
  524    H    TRP  81           HN       TRP  81  -3.842  -8.510 -13.413
  525    HA   TRP  81           HA       TRP  81  -5.141 -10.788 -12.153
  526    HB2  TRP  81           HB2      TRP  81  -7.207  -9.974 -13.187
  527    HB3  TRP  81           HB1      TRP  81  -6.429  -8.753 -12.194
  528    HD1  TRP  81           HD1      TRP  81  -4.357  -8.298 -14.986
  529    HE1  TRP  81           HE1      TRP  81  -5.300  -6.605 -16.676
  530    HE3  TRP  81           HE3      TRP  81  -9.206  -8.301 -13.477
  531    HZ2  TRP  81           HZ2      TRP  81  -7.796  -5.425 -17.277
  532    HZ3  TRP  81           HZ3      TRP  81 -10.831  -6.867 -14.655
  533    HH2  TRP  81           HH2      TRP  81 -10.133  -5.458 -16.526
  534    H    ASN  82           HN       ASN  82  -3.546 -10.062 -14.994
  535    HA   ASN  82           HA       ASN  82  -3.118 -11.208 -16.911
  536    HB2  ASN  82           HB2      ASN  82  -4.378 -13.492 -15.376
  537    HB3  ASN  82           HB1      ASN  82  -3.480 -13.659 -16.882
  538   HD21  ASN  82          HD21      ASN  82  -2.155 -15.114 -15.604
  539   HD22  ASN  82          HD22      ASN  82  -0.879 -14.461 -14.641
  540    H    HIS  83           HN       HIS  83  -5.451  -9.666 -16.839
  541    HA   HIS  83           HA       HIS  83  -7.125 -11.158 -18.738
  542    HB2  HIS  83           HB2      HIS  83  -8.260  -9.227 -16.714
  543    HB3  HIS  83           HB1      HIS  83  -9.144 -10.308 -17.787
  544    HD1  HIS  83           HD1      HIS  83  -8.943 -10.122 -14.473
  545    HD2  HIS  83           HD2      HIS  83  -7.596 -13.099 -17.034
  546    HE1  HIS  83           HE1      HIS  83  -8.780 -12.197 -13.065
  547    HE2  HIS  83           HE2      HIS  83  -7.869 -13.958 -14.617
  Start of MODEL   15
    1    H1   SER   1           HT1      SER   1  -4.915  16.265  18.450
    2    H2   SER   1           HT2      SER   1  -6.014  16.134  19.761
    3    H3   SER   1           HT3      SER   1  -5.105  14.768  19.262
    4    HA   SER   1           HA       SER   1  -4.363  17.039  20.879
    5    HB2  SER   1           HB2      SER   1  -4.192  14.112  20.852
    6    HB3  SER   1           HB1      SER   1  -2.709  14.890  21.403
    7    HG   SER   1           HG       SER   1  -5.319  15.139  22.464
    8    HA   PRO   2           HA       PRO   2  -0.315  16.457  18.477
    9    HB2  PRO   2           HB2      PRO   2  -0.016  14.503  16.676
   10    HB3  PRO   2           HB1      PRO   2   0.081  14.179  18.409
   11    HG2  PRO   2           HG2      PRO   2  -2.104  13.578  16.492
   12    HG3  PRO   2           HG1      PRO   2  -1.611  12.701  17.948
   13    HD2  PRO   2           HD2      PRO   2  -3.756  14.532  17.701
   14    HD3  PRO   2           HD1      PRO   2  -3.125  13.824  19.199
   15    HA   PRO   3           HA       PRO   3  -1.465  18.720  14.836
   16    HB2  PRO   3           HB2      PRO   3   0.937  19.554  14.007
   17    HB3  PRO   3           HB1      PRO   3   0.227  20.142  15.515
   18    HG2  PRO   3           HG2      PRO   3   2.319  18.045  15.097
   19    HG3  PRO   3           HG1      PRO   3   2.243  19.321  16.324
   20    HD2  PRO   3           HD2      PRO   3   1.515  16.705  16.765
   21    HD3  PRO   3           HD1      PRO   3   0.896  18.083  17.696
   22    H    VAL   4           HN       VAL   4  -2.050  18.087  12.879
   23    HA   VAL   4           HA       VAL   4  -1.141  15.754  11.682
   24    HB   VAL   4           HB       VAL   4  -3.389  16.704  11.403
   25   HG11  VAL   4          HG11      VAL   4  -3.867  18.682  10.333
   26   HG12  VAL   4          HG12      VAL   4  -2.325  18.719   9.478
   27   HG13  VAL   4          HG13      VAL   4  -2.387  19.090  11.200
   28   HG21  VAL   4          HG21      VAL   4  -2.767  15.127   9.773
   29   HG22  VAL   4          HG22      VAL   4  -1.787  16.309   8.902
   30   HG23  VAL   4          HG23      VAL   4  -3.539  16.462   8.930
   31    H    CYS   5           HN       CYS   5   1.085  15.895  11.441
   32    HA   CYS   5           HA       CYS   5   2.395  18.083  10.197
   33    HB2  CYS   5           HB2      CYS   5   3.878  15.616   9.834
   34    HB3  CYS   5           HB1      CYS   5   4.281  17.018  10.806
   35    H    GLY   6           HN       GLY   6   1.547  18.634   8.270
   36    HA2  GLY   6           HA2      GLY   6   1.820  18.508   5.911
   37    HA3  GLY   6           HA1      GLY   6   2.005  16.766   6.054
   38    H    ASN   7           HN       ASN   7  -0.556  18.094   7.896
   39    HA   ASN   7           HA       ASN   7  -2.820  17.924   7.778
   40    HB2  ASN   7           HB2      ASN   7  -2.008  18.724   5.043
   41    HB3  ASN   7           HB1      ASN   7  -3.605  17.984   5.153
   42   HD21  ASN   7          HD21      ASN   7  -5.133  19.439   5.292
   43   HD22  ASN   7          HD22      ASN   7  -5.053  20.937   6.149
   44    H    LYS   8           HN       LYS   8  -4.472  16.361   7.479
   45    HA   LYS   8           HA       LYS   8  -3.654  13.733   7.343
   46    HB2  LYS   8           HB2      LYS   8  -5.842  13.159   7.656
   47    HB3  LYS   8           HB1      LYS   8  -5.948  14.860   8.070
   48    HG2  LYS   8           HG2      LYS   8  -7.776  14.556   6.706
   49    HG3  LYS   8           HG1      LYS   8  -6.573  15.179   5.577
   50    HD2  LYS   8           HD2      LYS   8  -7.124  13.394   4.325
   51    HD3  LYS   8           HD1      LYS   8  -6.115  12.488   5.454
   52    HE2  LYS   8           HE2      LYS   8  -9.035  12.959   5.972
   53    HE3  LYS   8           HE1      LYS   8  -8.479  11.612   4.980
   54    HZ1  LYS   8           HZ1      LYS   8  -7.819  12.126   7.827
   55    HZ2  LYS   8           HZ2      LYS   8  -7.081  10.926   6.892
   56    HZ3  LYS   8           HZ3      LYS   8  -8.741  10.851   7.205
   57    H    ILE   9           HN       ILE   9  -2.542  12.906   5.713
   58    HA   ILE   9           HA       ILE   9  -2.574  13.759   3.086
   59    HB   ILE   9           HB       ILE   9  -1.799  11.444   2.431
   60   HG12  ILE   9          HG12      ILE   9  -0.994  10.126   4.483
   61   HG13  ILE   9          HG11      ILE   9  -2.190  11.046   5.391
   62   HG21  ILE   9          HG21      ILE   9  -0.307  13.290   2.920
   63   HG22  ILE   9          HG22      ILE   9   0.371  11.778   3.525
   64   HG23  ILE   9          HG23      ILE   9  -0.390  12.912   4.635
   65   HD11  ILE   9          HD11      ILE   9  -2.632   8.666   4.149
   66   HD12  ILE   9          HD12      ILE   9  -3.240   9.820   2.963
   67   HD13  ILE   9          HD13      ILE   9  -3.882   9.823   4.605
   68    H    LEU  10           HN       LEU  10  -3.812  13.591   1.413
   69    HA   LEU  10           HA       LEU  10  -6.324  12.163   1.706
   70    HB2  LEU  10           HB2      LEU  10  -6.990  13.564  -0.279
   71    HB3  LEU  10           HB1      LEU  10  -6.614  14.443   1.192
   72    HG   LEU  10           HG       LEU  10  -5.748  15.326  -1.090
   73   HD11  LEU  10          HD11      LEU  10  -3.417  15.652   0.371
   74   HD12  LEU  10          HD12      LEU  10  -4.665  15.386   1.589
   75   HD13  LEU  10          HD13      LEU  10  -4.845  16.687   0.412
   76   HD21  LEU  10          HD21      LEU  10  -3.611  13.292  -0.468
   77   HD22  LEU  10          HD22      LEU  10  -3.541  14.532  -1.720
   78   HD23  LEU  10          HD23      LEU  10  -4.728  13.233  -1.830
   79    H    GLU  11           HN       GLU  11  -3.534  11.191   0.750
   80    HA   GLU  11           HA       GLU  11  -4.276   9.001  -0.720
   81    HB2  GLU  11           HB2      GLU  11  -3.678   9.540  -3.025
   82    HB3  GLU  11           HB1      GLU  11  -5.006  10.553  -2.486
   83    HG2  GLU  11           HG2      GLU  11  -3.846  12.295  -3.201
   84    HG3  GLU  11           HG1      GLU  11  -2.737  12.015  -1.857
   85    H    GLN  12           HN       GLN  12  -2.424   9.438   1.239
   86    HA   GLN  12           HA       GLN  12   0.105   8.940  -0.178
   87    HB2  GLN  12           HB2      GLN  12  -0.131  10.360   2.463
   88    HB3  GLN  12           HB1      GLN  12   1.327  10.113   1.529
   89    HG2  GLN  12           HG2      GLN  12  -1.011  11.742   0.568
   90    HG3  GLN  12           HG1      GLN  12   0.375  12.415   1.420
   91   HE21  GLN  12          HE21      GLN  12  -0.883  11.470  -1.568
   92   HE22  GLN  12          HE22      GLN  12   0.542  11.697  -2.515
   93    H    GLY  13           HN       GLY  13  -0.897   8.804   3.223
   94    HA2  GLY  13           HA2      GLY  13  -0.648   7.157   4.809
   95    HA3  GLY  13           HA1      GLY  13  -1.126   6.058   3.523
   96    H    GLU  14           HN       GLU  14   1.711   7.958   3.099
   97    HA   GLU  14           HA       GLU  14   3.845   6.903   4.199
   98    HB2  GLU  14           HB2      GLU  14   2.609   4.774   2.568
   99    HB3  GLU  14           HB1      GLU  14   4.339   4.985   2.347
  100    HG2  GLU  14           HG2      GLU  14   4.836   4.152   4.366
  101    HG3  GLU  14           HG1      GLU  14   3.454   4.923   5.142
  102    H    ASP  15           HN       ASP  15   2.276   7.765   1.294
  103    HA   ASP  15           HA       ASP  15   4.412   8.051  -0.463
  104    HB2  ASP  15           HB2      ASP  15   2.053   8.241  -1.125
  105    HB3  ASP  15           HB1      ASP  15   1.916   9.737  -0.213
  106    H    CYS  16           HN       CYS  16   2.947  10.545   1.648
  107    HA   CYS  16           HA       CYS  16   5.200  11.646   2.699
  108    HB2  CYS  16           HB2      CYS  16   6.294  12.271   0.797
  109    HB3  CYS  16           HB1      CYS  16   4.811  12.430  -0.134
  110    H    ASP  17           HN       ASP  17   4.753  13.358   4.008
  111    HA   ASP  17           HA       ASP  17   3.612  14.991   5.095
  112    HB2  ASP  17           HB2      ASP  17   2.849  15.326   2.378
  113    HB3  ASP  17           HB1      ASP  17   1.398  15.512   3.358
  114    H    CYS  18           HN       CYS  18   2.993  12.192   5.358
  115    HA   CYS  18           HA       CYS  18   0.554  11.193   5.425
  116    HB2  CYS  18           HB2      CYS  18   2.008  11.233   8.055
  117    HB3  CYS  18           HB1      CYS  18   1.043   9.949   7.348
  118    H    GLY  19           HN       GLY  19   1.488  13.916   7.469
  119    HA2  GLY  19           HA2      GLY  19   0.163  15.418   8.623
  120    HA3  GLY  19           HA1      GLY  19  -1.196  14.779   7.724
  121    H    SER  20           HN       SER  20  -1.915  12.533   8.466
  122    HA   SER  20           HA       SER  20  -2.858  12.722  11.035
  123    HB2  SER  20           HB2      SER  20  -3.617  10.499  10.843
  124    HB3  SER  20           HB1      SER  20  -3.626  11.146   9.204
  125    HG   SER  20           HG       SER  20  -2.247   9.662   8.667
  126    HA   PRO  21           HA       PRO  21   1.052  12.413  13.188
  127    HB2  PRO  21           HB2      PRO  21  -0.942  12.402  15.414
  128    HB3  PRO  21           HB1      PRO  21   0.547  13.340  15.240
  129    HG2  PRO  21           HG2      PRO  21  -1.806  14.493  14.813
  130    HG3  PRO  21           HG1      PRO  21  -0.426  14.852  13.761
  131    HD2  PRO  21           HD2      PRO  21  -2.798  13.114  13.243
  132    HD3  PRO  21           HD1      PRO  21  -1.920  14.171  12.123
  133    H    ALA  22           HN       ALA  22  -1.736  10.326  13.444
  134    HA   ALA  22           HA       ALA  22  -0.773   8.390  15.202
  135    HB1  ALA  22           HB1      ALA  22  -2.263   7.384  12.864
  136    HB2  ALA  22           HB2      ALA  22  -3.049   8.670  13.779
  137    HB3  ALA  22           HB3      ALA  22  -2.577   7.175  14.587
  138    H    ASN  23           HN       ASN  23   0.191   9.201  11.998
  139    HA   ASN  23           HA       ASN  23   1.900   6.811  11.867
  140    HB2  ASN  23           HB2      ASN  23   1.153   8.510   9.493
  141    HB3  ASN  23           HB1      ASN  23   1.783   6.865   9.510
  142   HD21  ASN  23          HD21      ASN  23   0.316   5.482   8.866
  143   HD22  ASN  23          HD22      ASN  23  -1.368   5.522   9.250
  144    H    CYS  24           HN       CYS  24   1.834  10.246  12.059
  145    HA   CYS  24           HA       CYS  24   4.232  10.968  10.836
  146    HB2  CYS  24           HB2      CYS  24   2.399  12.454  11.893
  147    HB3  CYS  24           HB1      CYS  24   3.278  12.235  13.400
  148    H    GLN  25           HN       GLN  25   5.766   9.354  11.210
  149    HA   GLN  25           HA       GLN  25   7.612   8.475  12.205
  150    HB2  GLN  25           HB2      GLN  25   7.233  10.428  14.468
  151    HB3  GLN  25           HB1      GLN  25   8.726   9.679  13.922
  152    HG2  GLN  25           HG2      GLN  25   8.530  10.948  11.804
  153    HG3  GLN  25           HG1      GLN  25   7.119  11.768  12.471
  154   HE21  GLN  25          HE21      GLN  25   7.862  12.251  15.028
  155   HE22  GLN  25          HE22      GLN  25   9.220  13.318  15.068
  156    H    ASP  26           HN       ASP  26   6.060   6.653  12.497
  157    HA   ASP  26           HA       ASP  26   6.217   5.688  15.182
  158    HB2  ASP  26           HB2      ASP  26   3.640   6.751  14.142
  159    HB3  ASP  26           HB1      ASP  26   3.584   5.257  15.073
  160    H    ARG  27           HN       ARG  27   3.766   4.952  12.720
  161    HA   ARG  27           HA       ARG  27   4.437   2.175  12.793
  162    HB2  ARG  27           HB2      ARG  27   2.136   2.815  12.478
  163    HB3  ARG  27           HB1      ARG  27   2.539   3.740  11.040
  164    HG2  ARG  27           HG2      ARG  27   1.509   1.671  10.397
  165    HG3  ARG  27           HG1      ARG  27   3.207   1.645   9.919
  166    HD2  ARG  27           HD2      ARG  27   3.015  -0.434  10.855
  167    HD3  ARG  27           HD1      ARG  27   3.512   0.498  12.265
  168    HE   ARG  27           HE       ARG  27   0.898  -0.667  11.764
  169   HH11  ARG  27          HH11      ARG  27   2.832   1.471  13.740
  170   HH12  ARG  27          HH12      ARG  27   1.729   1.434  15.072
  171   HH21  ARG  27          HH21      ARG  27  -0.548  -0.711  13.518
  172   HH22  ARG  27          HH22      ARG  27  -0.187   0.197  14.948
  173    H    CYS  28           HN       CYS  28   3.919   3.764   9.687
  174    HA   CYS  28           HA       CYS  28   6.678   3.275   8.899
  175    HB2  CYS  28           HB2      CYS  28   4.314   1.984   7.529
  176    HB3  CYS  28           HB1      CYS  28   5.943   2.028   6.865
  177    H    CYS  29           HN       CYS  29   4.929   5.628   9.251
  178    HA   CYS  29           HA       CYS  29   5.108   6.697   6.505
  179    HB2  CYS  29           HB2      CYS  29   2.747   6.202   7.578
  180    HB3  CYS  29           HB1      CYS  29   3.049   7.717   8.419
  181    H    ASN  30           HN       ASN  30   5.842   8.752   6.255
  182    HA   ASN  30           HA       ASN  30   6.876  10.069   8.675
  183    HB2  ASN  30           HB2      ASN  30   7.990   9.849   5.898
  184    HB3  ASN  30           HB1      ASN  30   8.443  11.179   6.940
  185   HD21  ASN  30          HD21      ASN  30   8.512   9.903   9.383
  186   HD22  ASN  30          HD22      ASN  30   9.796   8.750   9.387
  187    H    ALA  31           HN       ALA  31   5.195  11.345   9.126
  188    HA   ALA  31           HA       ALA  31   3.984  13.041   7.119
  189    HB1  ALA  31           HB1      ALA  31   3.162  14.000   9.582
  190    HB2  ALA  31           HB2      ALA  31   3.397  12.281   9.865
  191    HB3  ALA  31           HB3      ALA  31   2.312  12.819   8.597
  192    H    ALA  32           HN       ALA  32   6.593  13.084   9.308
  193    HA   ALA  32           HA       ALA  32   6.920  15.997   9.083
  194    HB1  ALA  32           HB1      ALA  32   8.534  15.792  10.887
  195    HB2  ALA  32           HB2      ALA  32   8.381  14.035  10.852
  196    HB3  ALA  32           HB3      ALA  32   7.012  15.031  11.350
  197    H    THR  33           HN       THR  33   7.873  13.136   7.636
  198    HA   THR  33           HA       THR  33  10.372  14.342   6.678
  199    HB   THR  33           HB       THR  33  10.269  11.487   6.282
  200    HG1  THR  33           HG1      THR  33  10.510  11.128   8.654
  201   HG21  THR  33          HG21      THR  33  12.261  13.097   6.462
  202   HG22  THR  33          HG22      THR  33  12.383  11.488   7.173
  203   HG23  THR  33          HG23      THR  33  12.059  12.884   8.200
  204    H    CYS  34           HN       CYS  34   7.327  13.889   5.739
  205    HA   CYS  34           HA       CYS  34   6.238  13.615   3.764
  206    HB2  CYS  34           HB2      CYS  34   7.170  15.720   3.282
  207    HB3  CYS  34           HB1      CYS  34   8.768  15.046   2.999
  208    H    LYS  35           HN       LYS  35   7.112  11.174   4.403
  209    HA   LYS  35           HA       LYS  35   7.269   9.869   1.924
  210    HB2  LYS  35           HB2      LYS  35   9.727  10.887   2.592
  211    HB3  LYS  35           HB1      LYS  35   9.825   9.239   3.197
  212    HG2  LYS  35           HG2      LYS  35  10.574   8.894   1.086
  213    HG3  LYS  35           HG1      LYS  35   8.845   8.687   0.804
  214    HD2  LYS  35           HD2      LYS  35   9.831  10.121  -0.900
  215    HD3  LYS  35           HD1      LYS  35   8.686  11.027   0.091
  216    HE2  LYS  35           HE2      LYS  35  10.290  12.360   0.953
  217    HE3  LYS  35           HE1      LYS  35  11.474  11.056   1.034
  218    HZ1  LYS  35           HZ1      LYS  35  12.368  12.351  -0.598
  219    HZ2  LYS  35           HZ2      LYS  35  10.871  12.885  -1.176
  220    HZ3  LYS  35           HZ3      LYS  35  11.415  11.328  -1.550
  221    H    LEU  36           HN       LEU  36   8.198   7.512   2.283
  222    HA   LEU  36           HA       LEU  36   6.760   6.474   4.612
  223    HB2  LEU  36           HB2      LEU  36   6.867   4.314   3.526
  224    HB3  LEU  36           HB1      LEU  36   6.247   5.511   2.405
  225    HG   LEU  36           HG       LEU  36   9.161   5.034   2.288
  226   HD11  LEU  36          HD11      LEU  36   8.652   3.032   0.762
  227   HD12  LEU  36          HD12      LEU  36   7.123   2.936   1.636
  228   HD13  LEU  36          HD13      LEU  36   8.648   2.773   2.507
  229   HD21  LEU  36          HD21      LEU  36   7.421   6.433   0.799
  230   HD22  LEU  36          HD22      LEU  36   7.394   4.899  -0.072
  231   HD23  LEU  36          HD23      LEU  36   8.919   5.754   0.161
  232    H    THR  37           HN       THR  37   7.764   5.192   6.186
  233    HA   THR  37           HA       THR  37  10.613   5.665   6.430
  234    HB   THR  37           HB       THR  37  10.311   4.655   8.698
  235    HG1  THR  37           HG1      THR  37   8.427   3.404   8.017
  236   HG21  THR  37          HG21      THR  37  10.134   7.024   8.529
  237   HG22  THR  37          HG22      THR  37   8.871   6.435   9.610
  238   HG23  THR  37          HG23      THR  37   8.469   6.905   7.958
  239    HA   PRO  38           HA       PRO  38  12.609   1.896   5.410
  240    HB2  PRO  38           HB2      PRO  38  13.092   1.702   8.367
  241    HB3  PRO  38           HB1      PRO  38  14.216   1.405   7.032
  242    HG2  PRO  38           HG2      PRO  38  14.309   3.698   8.347
  243    HG3  PRO  38           HG1      PRO  38  14.473   3.678   6.581
  244    HD2  PRO  38           HD2      PRO  38  12.181   4.546   8.260
  245    HD3  PRO  38           HD1      PRO  38  12.689   5.116   6.658
  246    H    GLY  39           HN       GLY  39  12.242  -0.303   5.374
  247    HA2  GLY  39           HA2      GLY  39  11.311  -2.343   6.102
  248    HA3  GLY  39           HA1      GLY  39  10.357  -1.459   7.286
  249    H    SER  40           HN       SER  40   9.207   0.456   5.595
  250    HA   SER  40           HA       SER  40   7.027  -1.022   4.546
  251    HB2  SER  40           HB2      SER  40   7.370   1.562   5.366
  252    HB3  SER  40           HB1      SER  40   7.336   1.761   3.614
  253    HG   SER  40           HG       SER  40   5.297   1.142   3.564
  254    H    GLN  41           HN       GLN  41   7.126  -2.182   2.732
  255    HA   GLN  41           HA       GLN  41   9.069  -1.705   0.696
  256    HB2  GLN  41           HB2      GLN  41   6.709  -3.564   0.921
  257    HB3  GLN  41           HB1      GLN  41   7.661  -3.459  -0.554
  258    HG2  GLN  41           HG2      GLN  41   9.094  -3.904   2.007
  259    HG3  GLN  41           HG1      GLN  41   8.176  -5.242   1.317
  260   HE21  GLN  41          HE21      GLN  41   8.565  -5.390  -1.175
  261   HE22  GLN  41          HE22      GLN  41  10.229  -5.387  -1.641
  262    H    CYS  42           HN       CYS  42   5.699  -0.911   1.156
  263    HA   CYS  42           HA       CYS  42   5.847   0.940  -1.081
  264    HB2  CYS  42           HB2      CYS  42   3.641   0.144  -1.968
  265    HB3  CYS  42           HB1      CYS  42   4.968  -0.987  -2.205
  266    H    ASN  43           HN       ASN  43   4.308   2.607  -0.982
  267    HA   ASN  43           HA       ASN  43   3.489   3.249   1.679
  268    HB2  ASN  43           HB2      ASN  43   2.448   5.276   0.505
  269    HB3  ASN  43           HB1      ASN  43   4.196   5.099   0.386
  270   HD21  ASN  43          HD21      ASN  43   1.962   6.305  -1.321
  271   HD22  ASN  43          HD22      ASN  43   2.317   5.730  -2.910
  272    H    TYR  44           HN       TYR  44   1.972   2.010  -1.184
  273    HA   TYR  44           HA       TYR  44  -0.202   0.868   0.114
  274    HB2  TYR  44           HB2      TYR  44  -2.063   2.308  -0.548
  275    HB3  TYR  44           HB1      TYR  44  -0.954   3.192   0.493
  276    HD1  TYR  44           HD1      TYR  44  -1.696   2.609  -3.115
  277    HD2  TYR  44           HD2      TYR  44  -0.209   5.282  -0.167
  278    HE1  TYR  44           HE1      TYR  44  -1.503   4.358  -4.820
  279    HE2  TYR  44           HE2      TYR  44  -0.004   7.051  -1.851
  280    HH   TYR  44           HH       TYR  44  -1.449   7.311  -4.427
  281    H    GLY  45           HN       GLY  45  -2.090   0.529  -1.661
  282    HA2  GLY  45           HA2      GLY  45  -2.171   0.532  -4.217
  283    HA3  GLY  45           HA1      GLY  45  -0.636  -0.310  -4.084
  284    H    GLU  46           HN       GLU  46  -2.197  -1.695  -5.482
  285    HA   GLU  46           HA       GLU  46  -4.179  -3.258  -4.217
  286    HB2  GLU  46           HB2      GLU  46  -2.629  -3.427  -6.754
  287    HB3  GLU  46           HB1      GLU  46  -3.479  -4.869  -6.214
  288    HG2  GLU  46           HG2      GLU  46  -4.780  -3.498  -7.795
  289    HG3  GLU  46           HG1      GLU  46  -5.579  -3.718  -6.239
  290    H    CYS  47           HN       CYS  47  -0.709  -3.574  -4.417
  291    HA   CYS  47           HA       CYS  47  -0.866  -6.200  -3.091
  292    HB2  CYS  47           HB2      CYS  47   1.062  -4.951  -4.966
  293    HB3  CYS  47           HB1      CYS  47   1.732  -6.011  -3.734
  294    H    CYS  48           HN       CYS  48  -0.976  -3.332  -1.919
  295    HA   CYS  48           HA       CYS  48   1.382  -3.478  -0.195
  296    HB2  CYS  48           HB2      CYS  48   0.215  -1.339  -1.406
  297    HB3  CYS  48           HB1      CYS  48  -0.499  -1.249   0.200
  298    H    ASP  49           HN       ASP  49   1.310  -3.755   1.973
  299    HA   ASP  49           HA       ASP  49  -1.225  -3.866   3.372
  300    HB2  ASP  49           HB2      ASP  49  -0.608  -6.175   2.261
  301    HB3  ASP  49           HB1      ASP  49   0.493  -6.302   3.629
  302    H    GLN  50           HN       GLN  50  -0.735  -2.513   4.973
  303    HA   GLN  50           HA       GLN  50   0.216  -1.651   6.841
  304    HB2  GLN  50           HB2      GLN  50   1.545  -4.361   6.886
  305    HB3  GLN  50           HB1      GLN  50   1.747  -3.168   8.161
  306    HG2  GLN  50           HG2      GLN  50  -1.038  -3.739   7.456
  307    HG3  GLN  50           HG1      GLN  50  -0.148  -5.105   8.126
  308   HE21  GLN  50          HE21      GLN  50   1.095  -4.612  10.142
  309   HE22  GLN  50          HE22      GLN  50   0.335  -3.588  11.308
  310    H    CYS  51           HN       CYS  51   3.048  -3.551   5.871
  311    HA   CYS  51           HA       CYS  51   4.369  -1.196   4.805
  312    HB2  CYS  51           HB2      CYS  51   5.706  -2.670   7.069
  313    HB3  CYS  51           HB1      CYS  51   6.171  -1.137   6.343
  314    H    ARG  52           HN       ARG  52   3.530  -3.818   3.803
  315    HA   ARG  52           HA       ARG  52   6.000  -4.533   2.502
  316    HB2  ARG  52           HB2      ARG  52   5.700  -5.862   4.772
  317    HB3  ARG  52           HB1      ARG  52   4.617  -6.842   3.793
  318    HG2  ARG  52           HG2      ARG  52   6.362  -7.972   3.044
  319    HG3  ARG  52           HG1      ARG  52   6.965  -6.498   2.283
  320    HD2  ARG  52           HD2      ARG  52   7.447  -6.907   5.193
  321    HD3  ARG  52           HD1      ARG  52   8.411  -7.830   4.041
  322    HE   ARG  52           HE       ARG  52   8.321  -5.012   3.480
  323   HH11  ARG  52          HH11      ARG  52   9.947  -7.519   5.283
  324   HH12  ARG  52          HH12      ARG  52  11.421  -6.625   5.439
  325   HH21  ARG  52          HH21      ARG  52  10.260  -3.834   3.683
  326   HH22  ARG  52          HH22      ARG  52  11.599  -4.532   4.531
  327    H    PHE  53           HN       PHE  53   5.631  -6.245   0.818
  328    HA   PHE  53           HA       PHE  53   3.181  -5.659  -0.566
  329    HB2  PHE  53           HB2      PHE  53   5.611  -7.299  -1.239
  330    HB3  PHE  53           HB1      PHE  53   4.173  -7.350  -2.253
  331    HD1  PHE  53           HD2      PHE  53   3.363  -4.466  -2.026
  332    HD2  PHE  53           HD1      PHE  53   7.146  -6.299  -2.684
  333    HE1  PHE  53           HE2      PHE  53   4.124  -2.454  -3.205
  334    HE2  PHE  53           HE1      PHE  53   7.918  -4.282  -3.867
  335    HZ   PHE  53           HZ       PHE  53   6.406  -2.356  -4.130
  336    H    LYS  54           HN       LYS  54   1.537  -7.081  -1.122
  337    HA   LYS  54           HA       LYS  54   0.878  -9.043   0.795
  338    HB2  LYS  54           HB2      LYS  54  -0.276  -8.043  -1.734
  339    HB3  LYS  54           HB1      LYS  54  -0.719  -9.690  -1.308
  340    HG2  LYS  54           HG2      LYS  54  -1.999  -9.042   0.427
  341    HG3  LYS  54           HG1      LYS  54  -0.929  -7.706   0.858
  342    HD2  LYS  54           HD2      LYS  54  -1.826  -6.711  -1.416
  343    HD3  LYS  54           HD1      LYS  54  -3.182  -7.792  -1.088
  344    HE2  LYS  54           HE2      LYS  54  -3.729  -6.695   0.900
  345    HE3  LYS  54           HE1      LYS  54  -2.149  -5.920   1.013
  346    HZ1  LYS  54           HZ1      LYS  54  -4.231  -5.301  -1.014
  347    HZ2  LYS  54           HZ2      LYS  54  -2.722  -4.548  -0.888
  348    HZ3  LYS  54           HZ3      LYS  54  -3.867  -4.357   0.342
  349    H    LYS  55           HN       LYS  55   2.046 -10.842   1.040
  350    HA   LYS  55           HA       LYS  55   3.831 -12.078  -0.505
  351    HB2  LYS  55           HB2      LYS  55   3.179 -12.850   1.742
  352    HB3  LYS  55           HB1      LYS  55   1.712 -13.549   1.070
  353    HG2  LYS  55           HG2      LYS  55   2.793 -15.332   0.202
  354    HG3  LYS  55           HG1      LYS  55   4.256 -14.412  -0.153
  355    HD2  LYS  55           HD2      LYS  55   4.568 -14.337   2.404
  356    HD3  LYS  55           HD1      LYS  55   3.387 -15.648   2.438
  357    HE2  LYS  55           HE2      LYS  55   5.325 -16.858   2.321
  358    HE3  LYS  55           HE1      LYS  55   4.971 -16.674   0.604
  359    HZ1  LYS  55           HZ1      LYS  55   6.686 -15.243   0.307
  360    HZ2  LYS  55           HZ2      LYS  55   7.326 -16.112   1.609
  361    HZ3  LYS  55           HZ3      LYS  55   6.600 -14.608   1.873
  362    H    ALA  56           HN       ALA  56   3.959 -13.025  -2.424
  363    HA   ALA  56           HA       ALA  56   2.121 -13.012  -4.387
  364    HB1  ALA  56           HB1      ALA  56   4.374 -14.888  -3.850
  365    HB2  ALA  56           HB2      ALA  56   4.193 -13.679  -5.121
  366    HB3  ALA  56           HB3      ALA  56   3.294 -15.196  -5.211
  367    H    GLY  57           HN       GLY  57   0.255 -13.958  -4.843
  368    HA2  GLY  57           HA2      GLY  57  -1.019 -16.072  -4.956
  369    HA3  GLY  57           HA1      GLY  57  -0.468 -16.388  -3.315
  370    H    THR  58           HN       THR  58  -0.888 -13.273  -3.067
  371    HA   THR  58           HA       THR  58  -3.487 -13.494  -1.861
  372    HB   THR  58           HB       THR  58  -1.689 -11.092  -2.281
  373    HG1  THR  58           HG1      THR  58  -0.621 -12.039  -0.750
  374   HG21  THR  58          HG21      THR  58  -4.349 -11.052  -1.563
  375   HG22  THR  58          HG22      THR  58  -3.155  -9.782  -1.270
  376   HG23  THR  58          HG23      THR  58  -3.489 -10.985  -0.023
  377    H    VAL  59           HN       VAL  59  -5.201 -13.609  -3.211
  378    HA   VAL  59           HA       VAL  59  -5.288 -12.489  -5.793
  379    HB   VAL  59           HB       VAL  59  -6.754 -14.348  -5.098
  380   HG11  VAL  59          HG11      VAL  59  -7.271 -12.896  -2.872
  381   HG12  VAL  59          HG12      VAL  59  -8.255 -14.250  -3.428
  382   HG13  VAL  59          HG13      VAL  59  -8.731 -12.597  -3.815
  383   HG21  VAL  59          HG21      VAL  59  -8.792 -13.573  -6.216
  384   HG22  VAL  59          HG22      VAL  59  -7.341 -13.032  -7.062
  385   HG23  VAL  59          HG23      VAL  59  -8.245 -11.905  -6.050
  386    H    CYS  60           HN       CYS  60  -5.372 -10.398  -6.318
  387    HA   CYS  60           HA       CYS  60  -6.620  -8.528  -4.422
  388    HB2  CYS  60           HB2      CYS  60  -4.928  -7.707  -6.765
  389    HB3  CYS  60           HB1      CYS  60  -5.293  -6.797  -5.305
  390    H    ARG  61           HN       ARG  61  -6.967  -9.913  -7.542
  391    HA   ARG  61           HA       ARG  61  -9.424  -8.429  -7.978
  392    HB2  ARG  61           HB2      ARG  61  -7.135  -7.447  -9.111
  393    HB3  ARG  61           HB1      ARG  61  -7.749  -8.481 -10.391
  394    HG2  ARG  61           HG2      ARG  61  -9.992  -7.237  -9.950
  395    HG3  ARG  61           HG1      ARG  61  -8.948  -6.025  -9.204
  396    HD2  ARG  61           HD2      ARG  61  -9.146  -6.877 -12.050
  397    HD3  ARG  61           HD1      ARG  61  -9.001  -5.258 -11.368
  398    HE   ARG  61           HE       ARG  61  -6.856  -7.054 -12.075
  399   HH11  ARG  61          HH11      ARG  61  -7.778  -4.240 -10.226
  400   HH12  ARG  61          HH12      ARG  61  -6.158  -3.644 -10.095
  401   HH21  ARG  61          HH21      ARG  61  -4.730  -6.280 -11.892
  402   HH22  ARG  61          HH22      ARG  61  -4.426  -4.801 -11.044
  403    H    ILE  62           HN       ILE  62 -10.216  -9.138 -10.357
  404    HA   ILE  62           HA       ILE  62  -9.598 -11.644 -11.379
  405    HB   ILE  62           HB       ILE  62 -10.328 -12.632  -9.316
  406   HG12  ILE  62          HG12      ILE  62 -12.224 -14.022 -10.085
  407   HG13  ILE  62          HG11      ILE  62 -12.499 -12.897 -11.410
  408   HG21  ILE  62          HG21      ILE  62 -11.843 -10.485  -8.938
  409   HG22  ILE  62          HG22      ILE  62 -12.137 -12.008  -8.097
  410   HG23  ILE  62          HG23      ILE  62 -13.088 -11.589  -9.523
  411   HD11  ILE  62          HD11      ILE  62 -10.058 -13.430 -12.055
  412   HD12  ILE  62          HD12      ILE  62 -11.322 -14.608 -12.410
  413   HD13  ILE  62          HD13      ILE  62 -10.268 -14.838 -11.014
  414    H    ALA  63           HN       ALA  63 -10.634 -11.896 -13.275
  415    HA   ALA  63           HA       ALA  63 -12.135  -9.794 -14.327
  416    HB1  ALA  63           HB1      ALA  63 -11.109 -12.300 -15.276
  417    HB2  ALA  63           HB2      ALA  63 -11.451 -10.818 -16.164
  418    HB3  ALA  63           HB3      ALA  63 -12.724 -12.010 -15.921
  419    H    ARG  64           HN       ARG  64 -13.705 -12.905 -14.733
  420    HA   ARG  64           HA       ARG  64 -15.886 -12.087 -12.970
  421    HB2  ARG  64           HB2      ARG  64 -16.182 -12.628 -15.923
  422    HB3  ARG  64           HB1      ARG  64 -17.537 -12.656 -14.803
  423    HG2  ARG  64           HG2      ARG  64 -15.753 -10.293 -15.355
  424    HG3  ARG  64           HG1      ARG  64 -17.390 -10.528 -15.971
  425    HD2  ARG  64           HD2      ARG  64 -16.566 -10.211 -13.088
  426    HD3  ARG  64           HD1      ARG  64 -17.449  -9.042 -14.069
  427    HE   ARG  64           HE       ARG  64 -18.517 -11.362 -12.752
  428   HH11  ARG  64          HH11      ARG  64 -18.971  -9.095 -15.365
  429   HH12  ARG  64          HH12      ARG  64 -20.681  -9.351 -15.457
  430   HH21  ARG  64          HH21      ARG  64 -20.766 -11.702 -12.872
  431   HH22  ARG  64          HH22      ARG  64 -21.701 -10.831 -14.042
  432    H    GLY  65           HN       GLY  65 -15.228 -13.871 -11.666
  433    HA2  GLY  65           HA2      GLY  65 -16.432 -16.049 -11.294
  434    HA3  GLY  65           HA1      GLY  65 -15.806 -16.502 -12.873
  435    H    ASP  66           HN       ASP  66 -13.856 -17.421 -13.011
  436    HA   ASP  66           HA       ASP  66 -11.687 -16.983 -11.336
  437    HB2  ASP  66           HB2      ASP  66 -13.539 -18.333  -9.891
  438    HB3  ASP  66           HB1      ASP  66 -12.650 -19.679 -10.596
  439    H    TRP  67           HN       TRP  67 -10.622 -17.072 -13.267
  440    HA   TRP  67           HA       TRP  67 -10.308 -19.751 -14.459
  441    HB2  TRP  67           HB2      TRP  67  -9.454 -17.830 -16.339
  442    HB3  TRP  67           HB1      TRP  67 -10.889 -18.845 -16.428
  443    HD1  TRP  67           HD1      TRP  67  -9.951 -15.422 -14.793
  444    HE1  TRP  67           HE1      TRP  67 -11.982 -13.881 -15.019
  445    HE3  TRP  67           HE3      TRP  67 -13.172 -18.664 -17.063
  446    HZ2  TRP  67           HZ2      TRP  67 -14.603 -14.007 -16.040
  447    HZ3  TRP  67           HZ3      TRP  67 -15.432 -17.873 -17.642
  448    HH2  TRP  67           HH2      TRP  67 -16.132 -15.588 -17.139
  449    H    ASN  68           HN       ASN  68  -8.656 -16.648 -14.614
  450    HA   ASN  68           HA       ASN  68  -6.087 -17.985 -14.150
  451    HB2  ASN  68           HB2      ASN  68  -6.331 -15.131 -15.036
  452    HB3  ASN  68           HB1      ASN  68  -5.060 -16.299 -15.385
  453   HD21  ASN  68          HD21      ASN  68  -8.430 -15.502 -16.067
  454   HD22  ASN  68          HD22      ASN  68  -8.462 -16.197 -17.648
  455    H    ASP  69           HN       ASP  69  -8.218 -15.438 -13.066
  456    HA   ASP  69           HA       ASP  69  -8.371 -14.257 -11.139
  457    HB2  ASP  69           HB2      ASP  69  -6.731 -16.607 -10.278
  458    HB3  ASP  69           HB1      ASP  69  -7.046 -15.288  -9.156
  459    H    ASP  70           HN       ASP  70  -7.430 -12.571 -10.087
  460    HA   ASP  70           HA       ASP  70  -4.809 -11.780 -11.049
  461    HB2  ASP  70           HB2      ASP  70  -6.800 -10.216 -11.028
  462    HB3  ASP  70           HB1      ASP  70  -6.707 -10.247  -9.275
  463    H    TYR  71           HN       TYR  71  -2.991 -12.047  -9.868
  464    HA   TYR  71           HA       TYR  71  -3.294 -12.256  -6.954
  465    HB2  TYR  71           HB2      TYR  71  -2.025 -14.217  -8.814
  466    HB3  TYR  71           HB1      TYR  71  -1.457 -14.075  -7.150
  467    HD1  TYR  71           HD2      TYR  71  -3.182 -14.268  -5.310
  468    HD2  TYR  71           HD1      TYR  71  -3.911 -15.492  -9.302
  469    HE1  TYR  71           HE2      TYR  71  -5.025 -15.669  -4.517
  470    HE2  TYR  71           HE1      TYR  71  -5.774 -16.891  -8.547
  471    HH   TYR  71           HH       TYR  71  -6.224 -18.017  -5.767
  472    H    CYS  72           HN       CYS  72  -1.611 -11.699  -5.686
  473    HA   CYS  72           HA       CYS  72   0.179  -9.736  -6.737
  474    HB2  CYS  72           HB2      CYS  72  -0.912  -9.827  -4.403
  475    HB3  CYS  72           HB1      CYS  72   0.368 -10.966  -3.997
  476    H    THR  73           HN       THR  73   2.547  -9.814  -6.298
  477    HA   THR  73           HA       THR  73   3.594 -12.545  -6.650
  478    HB   THR  73           HB       THR  73   5.137 -11.801  -8.262
  479    HG1  THR  73           HG1      THR  73   4.418  -9.122  -7.688
  480   HG21  THR  73          HG21      THR  73   3.814 -11.271  -9.993
  481   HG22  THR  73          HG22      THR  73   3.078  -9.905  -9.152
  482   HG23  THR  73          HG23      THR  73   2.523 -11.547  -8.822
  483    H    GLY  74           HN       GLY  74   3.492 -10.015  -4.558
  484    HA2  GLY  74           HA2      GLY  74   4.717  -9.451  -2.707
  485    HA3  GLY  74           HA1      GLY  74   5.521 -11.002  -2.891
  486    H    LYS  75           HN       LYS  75   5.664  -8.761  -5.522
  487    HA   LYS  75           HA       LYS  75   8.354  -7.915  -4.696
  488    HB2  LYS  75           HB2      LYS  75   7.672  -8.824  -7.493
  489    HB3  LYS  75           HB1      LYS  75   9.255  -8.366  -6.881
  490    HG2  LYS  75           HG2      LYS  75   9.661 -10.444  -6.240
  491    HG3  LYS  75           HG1      LYS  75   8.188 -10.476  -5.270
  492    HD2  LYS  75           HD2      LYS  75   7.727 -12.169  -6.736
  493    HD3  LYS  75           HD1      LYS  75   7.057 -10.806  -7.633
  494    HE2  LYS  75           HE2      LYS  75   9.916 -11.564  -8.031
  495    HE3  LYS  75           HE1      LYS  75   8.653 -12.519  -8.807
  496    HZ1  LYS  75           HZ1      LYS  75   7.850 -10.102  -9.479
  497    HZ2  LYS  75           HZ2      LYS  75   8.962 -10.973 -10.409
  498    HZ3  LYS  75           HZ3      LYS  75   9.505  -9.782  -9.338
  499    H    SER  76           HN       SER  76   5.403  -6.819  -5.330
  500    HA   SER  76           HA       SER  76   6.271  -4.186  -5.910
  501    HB2  SER  76           HB2      SER  76   6.501  -5.141  -8.181
  502    HB3  SER  76           HB1      SER  76   4.796  -5.589  -8.151
  503    HG   SER  76           HG       SER  76   5.976  -3.116  -8.512
  504    H    SER  77           HN       SER  77   4.353  -2.710  -6.350
  505    HA   SER  77           HA       SER  77   2.231  -3.446  -4.506
  506    HB2  SER  77           HB2      SER  77   3.546  -1.129  -4.795
  507    HB3  SER  77           HB1      SER  77   2.203  -0.815  -5.894
  508    HG   SER  77           HG       SER  77   2.159  -1.305  -3.124
  509    H    ASP  78           HN       ASP  78   2.614  -4.256  -7.536
  510    HA   ASP  78           HA       ASP  78  -0.130  -3.591  -8.364
  511    HB2  ASP  78           HB2      ASP  78   0.699  -4.287 -10.667
  512    HB3  ASP  78           HB1      ASP  78   1.382  -2.799 -10.018
  513    H    CYS  79           HN       CYS  79  -1.527  -5.206  -8.985
  514    HA   CYS  79           HA       CYS  79  -0.633  -7.963  -8.438
  515    HB2  CYS  79           HB2      CYS  79  -2.580  -6.518  -7.098
  516    HB3  CYS  79           HB1      CYS  79  -3.510  -7.513  -8.214
  517    HA   PRO  80           HA       PRO  80  -1.662  -8.154 -12.886
  518    HB2  PRO  80           HB2      PRO  80  -0.757 -10.750 -13.137
  519    HB3  PRO  80           HB1      PRO  80   0.251  -9.313 -13.329
  520    HG2  PRO  80           HG2      PRO  80  -0.067 -11.104 -10.957
  521    HG3  PRO  80           HG1      PRO  80   1.402 -10.350 -11.606
  522    HD2  PRO  80           HD2      PRO  80   0.158  -9.370  -9.441
  523    HD3  PRO  80           HD1      PRO  80   0.930  -8.300 -10.630
  524    H    TRP  81           HN       TRP  81  -3.393  -9.045 -13.942
  525    HA   TRP  81           HA       TRP  81  -5.376 -10.363 -12.330
  526    HB2  TRP  81           HB2      TRP  81  -5.638  -9.999 -15.290
  527    HB3  TRP  81           HB1      TRP  81  -6.898 -10.034 -14.068
  528    HD1  TRP  81           HD1      TRP  81  -3.876  -7.587 -13.922
  529    HE1  TRP  81           HE1      TRP  81  -4.819  -5.203 -14.099
  530    HE3  TRP  81           HE3      TRP  81  -8.746  -8.737 -14.813
  531    HZ2  TRP  81           HZ2      TRP  81  -7.319  -3.973 -14.572
  532    HZ3  TRP  81           HZ3      TRP  81 -10.370  -6.904 -15.123
  533    HH2  TRP  81           HH2      TRP  81  -9.665  -4.568 -15.003
  534    H    ASN  82           HN       ASN  82  -3.167 -11.176 -14.840
  535    HA   ASN  82           HA       ASN  82  -2.301 -13.221 -15.426
  536    HB2  ASN  82           HB2      ASN  82  -3.283 -14.061 -13.183
  537    HB3  ASN  82           HB1      ASN  82  -4.642 -14.623 -14.150
  538   HD21  ASN  82          HD21      ASN  82  -2.237 -15.844 -12.627
  539   HD22  ASN  82          HD22      ASN  82  -1.668 -17.055 -13.720
  540    H    HIS  83           HN       HIS  83  -4.244 -11.508 -16.755
  541    HA   HIS  83           HA       HIS  83  -5.612 -13.467 -18.471
  542    HB2  HIS  83           HB2      HIS  83  -6.259 -10.606 -17.768
  543    HB3  HIS  83           HB1      HIS  83  -6.979 -11.406 -19.164
  544    HD1  HIS  83           HD1      HIS  83  -8.799 -13.141 -18.721
  545    HD2  HIS  83           HD2      HIS  83  -7.105 -11.599 -15.257
  546    HE1  HIS  83           HE1      HIS  83 -10.263 -13.938 -16.841
  547    HE2  HIS  83           HE2      HIS  83  -9.173 -13.062 -14.749
  Start of MODEL   16
    1    H1   SER   1           HT1      SER   1  -9.054  13.111  17.527
    2    H2   SER   1           HT2      SER   1  -8.436  12.301  18.909
    3    H3   SER   1           HT3      SER   1  -8.602  11.461  17.422
    4    HA   SER   1           HA       SER   1  -6.687  13.543  18.177
    5    HB2  SER   1           HB2      SER   1  -6.689  10.661  17.447
    6    HB3  SER   1           HB1      SER   1  -5.331  11.622  16.863
    7    HG   SER   1           HG       SER   1  -4.674  11.025  18.829
    8    HA   PRO   2           HA       PRO   2  -8.153  14.876  13.950
    9    HB2  PRO   2           HB2      PRO   2  -6.695  17.263  14.985
   10    HB3  PRO   2           HB1      PRO   2  -8.237  17.171  14.126
   11    HG2  PRO   2           HG2      PRO   2  -8.175  17.618  16.748
   12    HG3  PRO   2           HG1      PRO   2  -9.416  16.573  16.032
   13    HD2  PRO   2           HD2      PRO   2  -6.975  15.832  17.581
   14    HD3  PRO   2           HD1      PRO   2  -8.577  15.067  17.562
   15    HA   PRO   3           HA       PRO   3  -4.209  14.409  11.966
   16    HB2  PRO   3           HB2      PRO   3  -4.618  15.599   9.618
   17    HB3  PRO   3           HB1      PRO   3  -5.555  14.173  10.082
   18    HG2  PRO   3           HG2      PRO   3  -6.335  17.063  10.185
   19    HG3  PRO   3           HG1      PRO   3  -7.274  15.672   9.612
   20    HD2  PRO   3           HD2      PRO   3  -7.543  16.781  12.109
   21    HD3  PRO   3           HD1      PRO   3  -7.928  15.091  11.727
   22    H    VAL   4           HN       VAL   4  -2.300  15.381  12.291
   23    HA   VAL   4           HA       VAL   4  -1.984  18.184  11.651
   24    HB   VAL   4           HB       VAL   4  -2.714  18.394  13.918
   25   HG11  VAL   4          HG11      VAL   4  -1.977  15.941  14.371
   26   HG12  VAL   4          HG12      VAL   4  -2.000  17.108  15.694
   27   HG13  VAL   4          HG13      VAL   4  -0.475  16.688  14.911
   28   HG21  VAL   4          HG21      VAL   4  -1.113  19.863  14.526
   29   HG22  VAL   4          HG22      VAL   4  -0.410  19.443  12.963
   30   HG23  VAL   4          HG23      VAL   4   0.172  18.658  14.431
   31    H    CYS   5           HN       CYS   5  -0.569  17.407  10.104
   32    HA   CYS   5           HA       CYS   5   2.108  17.587  10.631
   33    HB2  CYS   5           HB2      CYS   5   1.302  15.087  11.528
   34    HB3  CYS   5           HB1      CYS   5   1.922  14.749   9.915
   35    H    GLY   6           HN       GLY   6   2.081  18.778   8.766
   36    HA2  GLY   6           HA2      GLY   6   1.927  19.227   6.505
   37    HA3  GLY   6           HA1      GLY   6   2.419  17.548   6.279
   38    H    ASN   7           HN       ASN   7  -0.413  18.289   8.106
   39    HA   ASN   7           HA       ASN   7  -2.609  17.829   7.857
   40    HB2  ASN   7           HB2      ASN   7  -2.621  17.942   4.899
   41    HB3  ASN   7           HB1      ASN   7  -3.652  18.763   6.065
   42   HD21  ASN   7          HD21      ASN   7  -2.769  20.642   7.149
   43   HD22  ASN   7          HD22      ASN   7  -1.623  21.634   6.319
   44    H    LYS   8           HN       LYS   8  -3.340  15.836   8.183
   45    HA   LYS   8           HA       LYS   8  -2.183  13.507   7.480
   46    HB2  LYS   8           HB2      LYS   8  -4.109  13.688   9.005
   47    HB3  LYS   8           HB1      LYS   8  -5.174  13.901   7.623
   48    HG2  LYS   8           HG2      LYS   8  -3.433  11.477   7.903
   49    HG3  LYS   8           HG1      LYS   8  -5.005  11.581   8.696
   50    HD2  LYS   8           HD2      LYS   8  -5.365  12.403   6.012
   51    HD3  LYS   8           HD1      LYS   8  -4.398  10.926   5.980
   52    HE2  LYS   8           HE2      LYS   8  -6.064   9.655   6.909
   53    HE3  LYS   8           HE1      LYS   8  -6.787  11.024   7.753
   54    HZ1  LYS   8           HZ1      LYS   8  -7.549  11.847   5.567
   55    HZ2  LYS   8           HZ2      LYS   8  -8.224  10.354   5.984
   56    HZ3  LYS   8           HZ3      LYS   8  -6.971  10.427   4.850
   57    H    ILE   9           HN       ILE   9  -1.533  12.825   5.525
   58    HA   ILE   9           HA       ILE   9  -2.201  13.773   3.086
   59    HB   ILE   9           HB       ILE   9  -1.558  11.642   2.060
   60   HG12  ILE   9          HG12      ILE   9  -2.531  10.464   4.338
   61   HG13  ILE   9          HG11      ILE   9  -1.538   9.667   3.124
   62   HG21  ILE   9          HG21      ILE   9   0.732  11.544   3.176
   63   HG22  ILE   9          HG22      ILE   9   0.120  12.804   4.247
   64   HG23  ILE   9          HG23      ILE   9   0.207  13.091   2.511
   65   HD11  ILE   9          HD11      ILE   9  -0.783   9.292   5.441
   66   HD12  ILE   9          HD12      ILE   9  -0.457  11.020   5.580
   67   HD13  ILE   9          HD13      ILE   9   0.439  10.043   4.414
   68    H    LEU  10           HN       LEU  10  -3.587  13.355   1.443
   69    HA   LEU  10           HA       LEU  10  -6.060  11.984   2.212
   70    HB2  LEU  10           HB2      LEU  10  -7.084  13.379   0.373
   71    HB3  LEU  10           HB1      LEU  10  -6.540  14.250   1.795
   72    HG   LEU  10           HG       LEU  10  -6.063  15.266  -0.508
   73   HD11  LEU  10          HD11      LEU  10  -4.607  16.557   0.560
   74   HD12  LEU  10          HD12      LEU  10  -3.471  15.228   0.788
   75   HD13  LEU  10          HD13      LEU  10  -4.798  15.460   1.927
   76   HD21  LEU  10          HD21      LEU  10  -3.770  13.319  -0.456
   77   HD22  LEU  10          HD22      LEU  10  -4.108  14.547  -1.674
   78   HD23  LEU  10          HD23      LEU  10  -5.183  13.161  -1.499
   79    H    GLU  11           HN       GLU  11  -3.442  11.126   0.799
   80    HA   GLU  11           HA       GLU  11  -4.591   9.103  -0.777
   81    HB2  GLU  11           HB2      GLU  11  -3.886   9.756  -3.000
   82    HB3  GLU  11           HB1      GLU  11  -4.969  10.972  -2.335
   83    HG2  GLU  11           HG2      GLU  11  -2.691  12.078  -1.590
   84    HG3  GLU  11           HG1      GLU  11  -2.071  11.134  -2.943
   85    H    GLN  12           HN       GLN  12  -1.771  10.877   0.236
   86    HA   GLN  12           HA       GLN  12  -0.048   8.669  -0.602
   87    HB2  GLN  12           HB2      GLN  12   1.790  10.288   0.233
   88    HB3  GLN  12           HB1      GLN  12   0.974  10.642  -1.281
   89    HG2  GLN  12           HG2      GLN  12  -0.503  11.918   0.734
   90    HG3  GLN  12           HG1      GLN  12   1.195  12.226   1.084
   91   HE21  GLN  12          HE21      GLN  12  -0.945  14.015   0.141
   92   HE22  GLN  12          HE22      GLN  12  -0.350  14.718  -1.321
   93    H    GLY  13           HN       GLY  13  -1.311   7.475   1.180
   94    HA2  GLY  13           HA2      GLY  13  -0.682   8.038   3.907
   95    HA3  GLY  13           HA1      GLY  13  -1.392   6.557   3.293
   96    H    GLU  14           HN       GLU  14   1.711   8.133   2.660
   97    HA   GLU  14           HA       GLU  14   3.612   7.044   4.065
   98    HB2  GLU  14           HB2      GLU  14   2.373   4.813   2.541
   99    HB3  GLU  14           HB1      GLU  14   4.129   4.865   2.557
  100    HG2  GLU  14           HG2      GLU  14   4.272   4.398   4.770
  101    HG3  GLU  14           HG1      GLU  14   2.731   5.166   5.149
  102    H    ASP  15           HN       ASP  15   2.421   7.310   0.822
  103    HA   ASP  15           HA       ASP  15   4.723   7.362  -0.689
  104    HB2  ASP  15           HB2      ASP  15   2.772   7.564  -1.932
  105    HB3  ASP  15           HB1      ASP  15   2.072   8.744  -0.831
  106    H    CYS  16           HN       CYS  16   3.479   9.651   1.598
  107    HA   CYS  16           HA       CYS  16   5.805  10.846   2.279
  108    HB2  CYS  16           HB2      CYS  16   6.364  11.904   0.337
  109    HB3  CYS  16           HB1      CYS  16   4.694  12.029  -0.204
  110    H    ASP  17           HN       ASP  17   5.433  11.858   4.109
  111    HA   ASP  17           HA       ASP  17   4.441  13.126   5.724
  112    HB2  ASP  17           HB2      ASP  17   3.296  14.183   3.456
  113    HB3  ASP  17           HB1      ASP  17   1.891  13.655   4.377
  114    H    CYS  18           HN       CYS  18   4.328  11.063   6.771
  115    HA   CYS  18           HA       CYS  18   2.661   9.033   6.768
  116    HB2  CYS  18           HB2      CYS  18   4.332   9.865   8.627
  117    HB3  CYS  18           HB1      CYS  18   2.864  10.444   9.407
  118    H    GLY  19           HN       GLY  19   1.695  12.227   7.946
  119    HA2  GLY  19           HA2      GLY  19  -0.433  13.143   7.920
  120    HA3  GLY  19           HA1      GLY  19  -1.066  11.602   7.354
  121    H    SER  20           HN       SER  20   0.408  10.236   9.614
  122    HA   SER  20           HA       SER  20  -1.674  10.644  11.582
  123    HB2  SER  20           HB2      SER  20   0.427   8.618  12.060
  124    HB3  SER  20           HB1      SER  20  -1.319   8.501  12.271
  125    HG   SER  20           HG       SER  20  -1.558   8.085  10.129
  126    HA   PRO  21           HA       PRO  21   1.313  13.431  13.496
  127    HB2  PRO  21           HB2      PRO  21  -0.430  14.082  15.560
  128    HB3  PRO  21           HB1      PRO  21  -0.304  14.933  14.018
  129    HG2  PRO  21           HG2      PRO  21  -2.238  12.809  14.854
  130    HG3  PRO  21           HG1      PRO  21  -2.536  14.284  13.916
  131    HD2  PRO  21           HD2      PRO  21  -2.357  11.920  12.708
  132    HD3  PRO  21           HD1      PRO  21  -1.644  13.369  11.964
  133    H    ALA  22           HN       ALA  22  -0.680  11.036  15.201
  134    HA   ALA  22           HA       ALA  22   0.676  10.862  17.596
  135    HB1  ALA  22           HB1      ALA  22  -1.396   9.604  16.957
  136    HB2  ALA  22           HB2      ALA  22  -0.192   8.648  17.822
  137    HB3  ALA  22           HB3      ALA  22  -0.365   8.477  16.076
  138    H    ASN  23           HN       ASN  23   1.654   9.853  14.435
  139    HA   ASN  23           HA       ASN  23   4.267   9.066  15.496
  140    HB2  ASN  23           HB2      ASN  23   2.766   7.533  13.359
  141    HB3  ASN  23           HB1      ASN  23   4.378   7.163  13.965
  142   HD21  ASN  23          HD21      ASN  23   4.329   5.432  15.189
  143   HD22  ASN  23          HD22      ASN  23   3.113   5.034  16.350
  144    H    CYS  24           HN       CYS  24   3.981  11.533  14.604
  145    HA   CYS  24           HA       CYS  24   4.018  12.135  11.930
  146    HB2  CYS  24           HB2      CYS  24   5.274  13.390  14.321
  147    HB3  CYS  24           HB1      CYS  24   5.784  13.959  12.736
  148    H    GLN  25           HN       GLN  25   6.456  10.517  13.772
  149    HA   GLN  25           HA       GLN  25   8.018  10.130  11.338
  150    HB2  GLN  25           HB2      GLN  25   8.919  11.582  13.747
  151    HB3  GLN  25           HB1      GLN  25  10.043  10.375  13.136
  152    HG2  GLN  25           HG2      GLN  25   8.919  12.121  11.077
  153    HG3  GLN  25           HG1      GLN  25   9.894  12.951  12.289
  154   HE21  GLN  25          HE21      GLN  25  11.719  13.368  11.211
  155   HE22  GLN  25          HE22      GLN  25  12.720  12.178  10.459
  156    H    ASP  26           HN       ASP  26   6.426   8.218  12.160
  157    HA   ASP  26           HA       ASP  26   8.158   6.072  12.798
  158    HB2  ASP  26           HB2      ASP  26   7.434   7.408  15.051
  159    HB3  ASP  26           HB1      ASP  26   6.131   6.229  14.942
  160    H    ARG  27           HN       ARG  27   6.169   4.354  13.966
  161    HA   ARG  27           HA       ARG  27   4.459   2.983  13.400
  162    HB2  ARG  27           HB2      ARG  27   3.010   4.906  13.467
  163    HB3  ARG  27           HB1      ARG  27   3.517   5.407  11.861
  164    HG2  ARG  27           HG2      ARG  27   2.253   3.806  10.810
  165    HG3  ARG  27           HG1      ARG  27   2.263   2.728  12.208
  166    HD2  ARG  27           HD2      ARG  27   0.897   4.628  13.343
  167    HD3  ARG  27           HD1      ARG  27   0.581   5.146  11.688
  168    HE   ARG  27           HE       ARG  27  -0.594   2.936  13.037
  169   HH11  ARG  27          HH11      ARG  27   0.485   4.019   9.900
  170   HH12  ARG  27          HH12      ARG  27  -0.608   2.995   9.032
  171   HH21  ARG  27          HH21      ARG  27  -2.033   1.587  11.897
  172   HH22  ARG  27          HH22      ARG  27  -2.038   1.615  10.165
  173    H    CYS  28           HN       CYS  28   4.198   4.553  10.263
  174    HA   CYS  28           HA       CYS  28   5.904   2.564   9.015
  175    HB2  CYS  28           HB2      CYS  28   3.065   2.233   9.180
  176    HB3  CYS  28           HB1      CYS  28   3.511   2.491   7.497
  177    H    CYS  29           HN       CYS  29   5.196   5.665   9.237
  178    HA   CYS  29           HA       CYS  29   6.083   6.205   6.526
  179    HB2  CYS  29           HB2      CYS  29   4.228   8.134   6.598
  180    HB3  CYS  29           HB1      CYS  29   3.957   6.568   5.850
  181    H    ASN  30           HN       ASN  30   6.495   8.508   6.177
  182    HA   ASN  30           HA       ASN  30   7.678   9.691   8.593
  183    HB2  ASN  30           HB2      ASN  30   8.543   9.465   5.755
  184    HB3  ASN  30           HB1      ASN  30   8.994  10.914   6.632
  185   HD21  ASN  30          HD21      ASN  30   9.330   9.776   9.169
  186   HD22  ASN  30          HD22      ASN  30  10.710   8.740   9.126
  187    H    ALA  31           HN       ALA  31   6.074  10.942   9.282
  188    HA   ALA  31           HA       ALA  31   4.620  12.712   7.536
  189    HB1  ALA  31           HB1      ALA  31   3.184  12.913   9.256
  190    HB2  ALA  31           HB2      ALA  31   4.479  13.310  10.385
  191    HB3  ALA  31           HB3      ALA  31   4.118  11.629  10.023
  192    H    ALA  32           HN       ALA  32   7.478  12.711   9.426
  193    HA   ALA  32           HA       ALA  32   7.793  15.623   9.125
  194    HB1  ALA  32           HB1      ALA  32   8.947  15.642  11.049
  195    HB2  ALA  32           HB2      ALA  32   9.849  14.184  10.632
  196    HB3  ALA  32           HB3      ALA  32   8.229  14.053  11.318
  197    H    THR  33           HN       THR  33   8.342  13.021   7.326
  198    HA   THR  33           HA       THR  33  10.833  14.107   6.244
  199    HB   THR  33           HB       THR  33  10.705  11.220   5.978
  200    HG1  THR  33           HG1      THR  33   9.699  11.649   8.128
  201   HG21  THR  33          HG21      THR  33  12.682  12.869   5.775
  202   HG22  THR  33          HG22      THR  33  12.925  11.273   6.486
  203   HG23  THR  33          HG23      THR  33  12.761  12.687   7.527
  204    H    CYS  34           HN       CYS  34   7.749  13.695   5.568
  205    HA   CYS  34           HA       CYS  34   6.484  13.357   3.701
  206    HB2  CYS  34           HB2      CYS  34   7.534  15.430   3.110
  207    HB3  CYS  34           HB1      CYS  34   8.989  14.605   2.571
  208    H    LYS  35           HN       LYS  35   7.402  10.872   4.333
  209    HA   LYS  35           HA       LYS  35   7.371   9.599   1.803
  210    HB2  LYS  35           HB2      LYS  35   9.928  10.398   2.640
  211    HB3  LYS  35           HB1      LYS  35   9.851   8.661   2.900
  212    HG2  LYS  35           HG2      LYS  35   8.738   9.376   0.339
  213    HG3  LYS  35           HG1      LYS  35  10.387   9.979   0.513
  214    HD2  LYS  35           HD2      LYS  35  10.045   7.248   1.484
  215    HD3  LYS  35           HD1      LYS  35   9.673   7.430  -0.232
  216    HE2  LYS  35           HE2      LYS  35  11.825   8.210  -0.731
  217    HE3  LYS  35           HE1      LYS  35  12.180   8.571   0.958
  218    HZ1  LYS  35           HZ1      LYS  35  12.152   6.174   1.405
  219    HZ2  LYS  35           HZ2      LYS  35  13.338   6.592   0.274
  220    HZ3  LYS  35           HZ3      LYS  35  11.898   5.867  -0.239
  221    H    LEU  36           HN       LEU  36   8.147   7.185   2.098
  222    HA   LEU  36           HA       LEU  36   6.525   6.128   4.242
  223    HB2  LEU  36           HB2      LEU  36   7.184   3.911   3.254
  224    HB3  LEU  36           HB1      LEU  36   6.331   4.990   2.167
  225    HG   LEU  36           HG       LEU  36   9.212   5.312   1.952
  226   HD11  LEU  36          HD11      LEU  36   9.436   3.026   2.510
  227   HD12  LEU  36          HD12      LEU  36   9.513   3.114   0.751
  228   HD13  LEU  36          HD13      LEU  36   8.032   2.576   1.542
  229   HD21  LEU  36          HD21      LEU  36   6.985   4.624   0.043
  230   HD22  LEU  36          HD22      LEU  36   8.657   4.895  -0.448
  231   HD23  LEU  36          HD23      LEU  36   7.735   6.200   0.299
  232    H    THR  37           HN       THR  37   7.379   4.406   5.705
  233    HA   THR  37           HA       THR  37   9.809   5.334   6.916
  234    HB   THR  37           HB       THR  37   9.350   3.296   8.450
  235    HG1  THR  37           HG1      THR  37   7.804   2.085   7.751
  236   HG21  THR  37          HG21      THR  37   8.813   5.199   9.530
  237   HG22  THR  37          HG22      THR  37   7.186   4.556   9.303
  238   HG23  THR  37          HG23      THR  37   7.805   5.800   8.213
  239    HA   PRO  38           HA       PRO  38  12.972   2.803   5.226
  240    HB2  PRO  38           HB2      PRO  38  13.588   2.104   8.063
  241    HB3  PRO  38           HB1      PRO  38  14.666   2.697   6.794
  242    HG2  PRO  38           HG2      PRO  38  13.846   4.331   8.709
  243    HG3  PRO  38           HG1      PRO  38  13.940   4.896   7.030
  244    HD2  PRO  38           HD2      PRO  38  11.546   4.124   8.641
  245    HD3  PRO  38           HD1      PRO  38  11.727   5.413   7.433
  246    H    GLY  39           HN       GLY  39  13.019   0.767   4.460
  247    HA2  GLY  39           HA2      GLY  39  12.937  -1.586   4.615
  248    HA3  GLY  39           HA1      GLY  39  12.054  -1.432   6.127
  249    H    SER  40           HN       SER  40  10.179   0.529   4.936
  250    HA   SER  40           HA       SER  40   8.140  -1.224   4.181
  251    HB2  SER  40           HB2      SER  40   8.280   1.710   3.459
  252    HB3  SER  40           HB1      SER  40   6.832   0.732   3.692
  253    HG   SER  40           HG       SER  40   8.690   1.616   5.629
  254    H    GLN  41           HN       GLN  41   7.518  -2.091   2.301
  255    HA   GLN  41           HA       GLN  41   9.231  -1.702  -0.005
  256    HB2  GLN  41           HB2      GLN  41   7.130  -3.682   0.775
  257    HB3  GLN  41           HB1      GLN  41   7.551  -3.514  -0.923
  258    HG2  GLN  41           HG2      GLN  41   8.908  -5.239  -0.180
  259    HG3  GLN  41           HG1      GLN  41   9.971  -3.833  -0.162
  260   HE21  GLN  41          HE21      GLN  41  10.682  -5.982   1.278
  261   HE22  GLN  41          HE22      GLN  41  10.500  -5.674   2.967
  262    H    CYS  42           HN       CYS  42   6.002  -0.875   1.016
  263    HA   CYS  42           HA       CYS  42   5.713   0.824  -1.313
  264    HB2  CYS  42           HB2      CYS  42   4.823  -1.311  -2.114
  265    HB3  CYS  42           HB1      CYS  42   3.726  -1.379  -0.739
  266    H    ASN  43           HN       ASN  43   4.390   2.546  -0.992
  267    HA   ASN  43           HA       ASN  43   3.692   3.164   1.717
  268    HB2  ASN  43           HB2      ASN  43   2.755   5.274   0.649
  269    HB3  ASN  43           HB1      ASN  43   4.473   4.985   0.396
  270   HD21  ASN  43          HD21      ASN  43   5.131   5.359  -1.581
  271   HD22  ASN  43          HD22      ASN  43   4.194   5.194  -3.023
  272    H    TYR  44           HN       TYR  44   1.971   2.304  -1.214
  273    HA   TYR  44           HA       TYR  44  -0.207   1.158   0.121
  274    HB2  TYR  44           HB2      TYR  44  -1.970   2.731  -0.181
  275    HB3  TYR  44           HB1      TYR  44  -0.658   3.605   0.601
  276    HD1  TYR  44           HD2      TYR  44  -2.081   2.913  -2.779
  277    HD2  TYR  44           HD1      TYR  44   0.057   5.624  -0.291
  278    HE1  TYR  44           HE2      TYR  44  -2.144   4.592  -4.568
  279    HE2  TYR  44           HE1      TYR  44   0.002   7.315  -2.073
  280    HH   TYR  44           HH       TYR  44  -0.419   6.815  -5.072
  281    H    GLY  45           HN       GLY  45  -1.972   0.547  -1.410
  282    HA2  GLY  45           HA2      GLY  45  -2.351   0.801  -3.987
  283    HA3  GLY  45           HA1      GLY  45  -0.781   0.012  -4.034
  284    H    GLU  46           HN       GLU  46  -2.369  -1.438  -5.342
  285    HA   GLU  46           HA       GLU  46  -4.224  -3.062  -4.017
  286    HB2  GLU  46           HB2      GLU  46  -2.652  -3.312  -6.550
  287    HB3  GLU  46           HB1      GLU  46  -3.595  -4.680  -5.973
  288    HG2  GLU  46           HG2      GLU  46  -5.619  -3.454  -6.107
  289    HG3  GLU  46           HG1      GLU  46  -4.757  -1.940  -6.376
  290    H    CYS  47           HN       CYS  47  -0.753  -3.428  -4.539
  291    HA   CYS  47           HA       CYS  47  -0.810  -5.852  -2.870
  292    HB2  CYS  47           HB2      CYS  47   1.272  -4.845  -4.817
  293    HB3  CYS  47           HB1      CYS  47   1.486  -6.256  -3.786
  294    H    CYS  48           HN       CYS  48  -1.036  -3.262  -1.681
  295    HA   CYS  48           HA       CYS  48   1.499  -3.229  -0.187
  296    HB2  CYS  48           HB2      CYS  48  -0.068  -0.721  -0.740
  297    HB3  CYS  48           HB1      CYS  48   1.587  -0.872  -0.159
  298    H    ASP  49           HN       ASP  49   1.132  -3.818   1.817
  299    HA   ASP  49           HA       ASP  49  -1.170  -2.704   3.244
  300    HB2  ASP  49           HB2      ASP  49  -1.575  -5.107   2.375
  301    HB3  ASP  49           HB1      ASP  49  -0.420  -5.596   3.611
  302    H    GLN  50           HN       GLN  50  -0.622  -1.923   5.181
  303    HA   GLN  50           HA       GLN  50   0.564  -1.445   7.062
  304    HB2  GLN  50           HB2      GLN  50   1.161  -4.278   6.563
  305    HB3  GLN  50           HB1      GLN  50   2.390  -3.446   7.505
  306    HG2  GLN  50           HG2      GLN  50   0.121  -2.602   8.731
  307    HG3  GLN  50           HG1      GLN  50  -0.337  -4.228   8.226
  308   HE21  GLN  50          HE21      GLN  50  -0.353  -5.149  10.221
  309   HE22  GLN  50          HE22      GLN  50   1.060  -5.358  11.193
  310    H    CYS  51           HN       CYS  51   3.102  -3.297   5.400
  311    HA   CYS  51           HA       CYS  51   4.430  -1.000   4.368
  312    HB2  CYS  51           HB2      CYS  51   5.135  -1.958   7.074
  313    HB3  CYS  51           HB1      CYS  51   6.494  -1.666   5.994
  314    H    ARG  52           HN       ARG  52   3.604  -3.659   3.520
  315    HA   ARG  52           HA       ARG  52   6.090  -4.456   2.270
  316    HB2  ARG  52           HB2      ARG  52   5.384  -5.766   4.585
  317    HB3  ARG  52           HB1      ARG  52   4.704  -6.806   3.341
  318    HG2  ARG  52           HG2      ARG  52   6.716  -7.509   2.648
  319    HG3  ARG  52           HG1      ARG  52   7.454  -5.917   2.836
  320    HD2  ARG  52           HD2      ARG  52   7.380  -6.317   5.329
  321    HD3  ARG  52           HD1      ARG  52   6.946  -7.986   4.962
  322    HE   ARG  52           HE       ARG  52   9.329  -7.087   3.630
  323   HH11  ARG  52          HH11      ARG  52   8.040  -8.490   6.553
  324   HH12  ARG  52          HH12      ARG  52   9.537  -9.233   7.006
  325   HH21  ARG  52          HH21      ARG  52  11.299  -8.063   4.223
  326   HH22  ARG  52          HH22      ARG  52  11.388  -8.990   5.684
  327    H    PHE  53           HN       PHE  53   5.765  -5.934   0.470
  328    HA   PHE  53           HA       PHE  53   3.381  -5.349  -0.955
  329    HB2  PHE  53           HB2      PHE  53   5.699  -7.187  -1.525
  330    HB3  PHE  53           HB1      PHE  53   4.307  -7.082  -2.602
  331    HD1  PHE  53           HD1      PHE  53   3.629  -4.415  -2.888
  332    HD2  PHE  53           HD2      PHE  53   7.512  -6.050  -2.340
  333    HE1  PHE  53           HE1      PHE  53   4.595  -2.455  -3.989
  334    HE2  PHE  53           HE2      PHE  53   8.499  -4.083  -3.445
  335    HZ   PHE  53           HZ       PHE  53   7.039  -2.278  -4.274
  336    H    LYS  54           HN       LYS  54   1.599  -6.593  -1.392
  337    HA   LYS  54           HA       LYS  54   0.813  -8.502   0.504
  338    HB2  LYS  54           HB2      LYS  54  -0.250  -7.477  -2.049
  339    HB3  LYS  54           HB1      LYS  54  -0.795  -9.090  -1.611
  340    HG2  LYS  54           HG2      LYS  54  -1.855  -8.347   0.316
  341    HG3  LYS  54           HG1      LYS  54  -0.933  -6.843   0.359
  342    HD2  LYS  54           HD2      LYS  54  -2.344  -5.794  -1.047
  343    HD3  LYS  54           HD1      LYS  54  -2.559  -7.225  -2.058
  344    HE2  LYS  54           HE2      LYS  54  -3.884  -8.081   0.062
  345    HE3  LYS  54           HE1      LYS  54  -4.061  -6.352   0.357
  346    HZ1  LYS  54           HZ1      LYS  54  -5.918  -7.011  -0.905
  347    HZ2  LYS  54           HZ2      LYS  54  -4.979  -7.894  -2.000
  348    HZ3  LYS  54           HZ3      LYS  54  -4.901  -6.204  -1.991
  349    H    LYS  55           HN       LYS  55   2.096 -10.230   0.785
  350    HA   LYS  55           HA       LYS  55   3.739 -11.634  -0.723
  351    HB2  LYS  55           HB2      LYS  55   3.087 -12.255   1.582
  352    HB3  LYS  55           HB1      LYS  55   1.612 -12.976   0.952
  353    HG2  LYS  55           HG2      LYS  55   2.978 -14.556  -0.358
  354    HG3  LYS  55           HG1      LYS  55   4.429 -13.864   0.371
  355    HD2  LYS  55           HD2      LYS  55   3.921 -14.705   2.479
  356    HD3  LYS  55           HD1      LYS  55   2.211 -14.908   2.092
  357    HE2  LYS  55           HE2      LYS  55   2.991 -17.086   2.051
  358    HE3  LYS  55           HE1      LYS  55   3.063 -16.626   0.351
  359    HZ1  LYS  55           HZ1      LYS  55   5.357 -16.565   2.237
  360    HZ2  LYS  55           HZ2      LYS  55   5.414 -16.181   0.591
  361    HZ3  LYS  55           HZ3      LYS  55   5.077 -17.765   1.078
  362    H    ALA  56           HN       ALA  56   3.798 -12.683  -2.589
  363    HA   ALA  56           HA       ALA  56   1.900 -12.718  -4.502
  364    HB1  ALA  56           HB1      ALA  56   4.116 -14.643  -3.945
  365    HB2  ALA  56           HB2      ALA  56   3.974 -13.437  -5.224
  366    HB3  ALA  56           HB3      ALA  56   3.017 -14.917  -5.297
  367    H    GLY  57           HN       GLY  57  -0.018 -13.623  -4.816
  368    HA2  GLY  57           HA2      GLY  57  -1.327 -15.722  -4.809
  369    HA3  GLY  57           HA1      GLY  57  -0.698 -16.005  -3.191
  370    H    THR  58           HN       THR  58  -1.097 -12.857  -3.057
  371    HA   THR  58           HA       THR  58  -3.646 -13.033  -1.718
  372    HB   THR  58           HB       THR  58  -1.725 -10.744  -2.199
  373    HG1  THR  58           HG1      THR  58  -0.937 -12.156  -0.696
  374   HG21  THR  58          HG21      THR  58  -4.421 -10.474  -1.555
  375   HG22  THR  58          HG22      THR  58  -3.146  -9.259  -1.407
  376   HG23  THR  58          HG23      THR  58  -3.545 -10.292  -0.034
  377    H    VAL  59           HN       VAL  59  -5.406 -13.150  -3.023
  378    HA   VAL  59           HA       VAL  59  -5.525 -12.065  -5.616
  379    HB   VAL  59           HB       VAL  59  -6.979 -13.930  -4.819
  380   HG11  VAL  59          HG11      VAL  59  -8.528 -13.722  -3.211
  381   HG12  VAL  59          HG12      VAL  59  -9.015 -12.114  -3.749
  382   HG13  VAL  59          HG13      VAL  59  -7.590 -12.309  -2.728
  383   HG21  VAL  59          HG21      VAL  59  -8.219 -11.520  -6.120
  384   HG22  VAL  59          HG22      VAL  59  -9.075 -13.054  -5.961
  385   HG23  VAL  59          HG23      VAL  59  -7.577 -12.973  -6.888
  386    H    CYS  60           HN       CYS  60  -5.914 -10.103  -6.322
  387    HA   CYS  60           HA       CYS  60  -7.115  -8.140  -4.470
  388    HB2  CYS  60           HB2      CYS  60  -5.109  -7.130  -4.660
  389    HB3  CYS  60           HB1      CYS  60  -4.675  -8.051  -6.094
  390    H    ARG  61           HN       ARG  61  -7.283  -9.644  -7.547
  391    HA   ARG  61           HA       ARG  61  -9.668  -8.121  -8.194
  392    HB2  ARG  61           HB2      ARG  61  -7.104  -7.664  -9.486
  393    HB3  ARG  61           HB1      ARG  61  -8.342  -8.131 -10.641
  394    HG2  ARG  61           HG2      ARG  61  -9.763  -6.312  -9.441
  395    HG3  ARG  61           HG1      ARG  61  -8.193  -5.720  -8.893
  396    HD2  ARG  61           HD2      ARG  61  -9.221  -5.994 -11.701
  397    HD3  ARG  61           HD1      ARG  61  -8.643  -4.546 -10.884
  398    HE   ARG  61           HE       ARG  61  -6.972  -6.732 -11.917
  399   HH11  ARG  61          HH11      ARG  61  -7.252  -3.480 -10.662
  400   HH12  ARG  61          HH12      ARG  61  -5.620  -3.064 -11.057
  401   HH21  ARG  61          HH21      ARG  61  -4.838  -6.183 -12.424
  402   HH22  ARG  61          HH22      ARG  61  -4.249  -4.595 -12.056
  403    H    ILE  62           HN       ILE  62 -10.340  -8.905 -10.577
  404    HA   ILE  62           HA       ILE  62  -9.739 -11.524 -11.367
  405    HB   ILE  62           HB       ILE  62 -12.408 -12.035 -10.779
  406   HG12  ILE  62          HG12      ILE  62 -12.773 -11.742  -8.480
  407   HG13  ILE  62          HG11      ILE  62 -11.094 -11.317  -8.170
  408   HG21  ILE  62          HG21      ILE  62 -10.626 -13.654 -10.925
  409   HG22  ILE  62          HG22      ILE  62 -11.512 -13.841  -9.411
  410   HG23  ILE  62          HG23      ILE  62  -9.931 -13.058  -9.417
  411   HD11  ILE  62          HD11      ILE  62 -12.379  -9.477 -10.002
  412   HD12  ILE  62          HD12      ILE  62 -11.489  -9.159  -8.515
  413   HD13  ILE  62          HD13      ILE  62 -13.204  -9.573  -8.446
  414    H    ALA  63           HN       ALA  63 -10.611 -11.952 -13.313
  415    HA   ALA  63           HA       ALA  63 -11.663  -9.806 -14.776
  416    HB1  ALA  63           HB1      ALA  63 -10.906 -11.068 -16.431
  417    HB2  ALA  63           HB2      ALA  63 -12.268 -12.161 -16.194
  418    HB3  ALA  63           HB3      ALA  63 -10.749 -12.448 -15.345
  419    H    ARG  64           HN       ARG  64 -13.409 -12.857 -14.912
  420    HA   ARG  64           HA       ARG  64 -15.769 -11.629 -13.721
  421    HB2  ARG  64           HB2      ARG  64 -15.597 -11.403 -16.356
  422    HB3  ARG  64           HB1      ARG  64 -16.174 -13.063 -16.306
  423    HG2  ARG  64           HG2      ARG  64 -18.090 -11.729 -16.537
  424    HG3  ARG  64           HG1      ARG  64 -18.060 -12.222 -14.843
  425    HD2  ARG  64           HD2      ARG  64 -18.402 -10.028 -14.467
  426    HD3  ARG  64           HD1      ARG  64 -16.658  -9.923 -14.701
  427    HE   ARG  64           HE       ARG  64 -17.629  -9.628 -17.205
  428   HH11  ARG  64          HH11      ARG  64 -18.341  -8.050 -14.174
  429   HH12  ARG  64          HH12      ARG  64 -18.769  -6.544 -14.915
  430   HH21  ARG  64          HH21      ARG  64 -18.191  -7.648 -18.181
  431   HH22  ARG  64          HH22      ARG  64 -18.684  -6.316 -17.190
  432    H    GLY  65           HN       GLY  65 -15.422 -13.169 -12.028
  433    HA2  GLY  65           HA2      GLY  65 -16.743 -15.181 -11.397
  434    HA3  GLY  65           HA1      GLY  65 -16.074 -15.932 -12.839
  435    H    ASP  66           HN       ASP  66 -14.175 -16.957 -12.730
  436    HA   ASP  66           HA       ASP  66 -12.077 -16.414 -11.017
  437    HB2  ASP  66           HB2      ASP  66 -14.135 -17.441  -9.519
  438    HB3  ASP  66           HB1      ASP  66 -13.179 -18.879  -9.865
  439    H    TRP  67           HN       TRP  67 -10.885 -16.911 -12.781
  440    HA   TRP  67           HA       TRP  67 -10.725 -19.766 -13.509
  441    HB2  TRP  67           HB2      TRP  67  -9.551 -18.244 -15.577
  442    HB3  TRP  67           HB1      TRP  67 -11.053 -19.158 -15.646
  443    HD1  TRP  67           HD1      TRP  67  -9.971 -15.591 -14.489
  444    HE1  TRP  67           HE1      TRP  67 -11.833 -13.969 -15.162
  445    HE3  TRP  67           HE3      TRP  67 -13.255 -18.926 -16.514
  446    HZ2  TRP  67           HZ2      TRP  67 -14.355 -14.072 -16.391
  447    HZ3  TRP  67           HZ3      TRP  67 -15.382 -18.082 -17.429
  448    HH2  TRP  67           HH2      TRP  67 -15.920 -15.699 -17.368
  449    H    ASN  68           HN       ASN  68  -8.801 -16.857 -13.986
  450    HA   ASN  68           HA       ASN  68  -6.398 -18.280 -13.100
  451    HB2  ASN  68           HB2      ASN  68  -6.277 -15.532 -14.270
  452    HB3  ASN  68           HB1      ASN  68  -5.147 -16.871 -14.442
  453   HD21  ASN  68          HD21      ASN  68  -8.327 -15.704 -15.423
  454   HD22  ASN  68          HD22      ASN  68  -8.368 -16.538 -16.935
  455    H    ASP  69           HN       ASP  69  -8.459 -15.534 -12.493
  456    HA   ASP  69           HA       ASP  69  -8.715 -14.145 -10.723
  457    HB2  ASP  69           HB2      ASP  69  -7.403 -16.529  -9.540
  458    HB3  ASP  69           HB1      ASP  69  -7.464 -15.068  -8.560
  459    H    ASP  70           HN       ASP  70  -7.811 -12.265 -10.201
  460    HA   ASP  70           HA       ASP  70  -5.114 -11.726 -10.936
  461    HB2  ASP  70           HB2      ASP  70  -7.054 -10.078 -11.014
  462    HB3  ASP  70           HB1      ASP  70  -6.908  -9.975  -9.268
  463    H    TYR  71           HN       TYR  71  -3.313 -11.834  -9.724
  464    HA   TYR  71           HA       TYR  71  -3.641 -11.947  -6.811
  465    HB2  TYR  71           HB2      TYR  71  -2.369 -13.975  -8.591
  466    HB3  TYR  71           HB1      TYR  71  -1.772 -13.755  -6.947
  467    HD1  TYR  71           HD1      TYR  71  -3.480 -13.864  -5.071
  468    HD2  TYR  71           HD2      TYR  71  -4.229 -15.307  -8.985
  469    HE1  TYR  71           HE1      TYR  71  -5.294 -15.249  -4.187
  470    HE2  TYR  71           HE2      TYR  71  -6.058 -16.695  -8.136
  471    HH   TYR  71           HH       TYR  71  -6.600 -17.776  -5.746
  472    H    CYS  72           HN       CYS  72  -2.088 -11.110  -5.598
  473    HA   CYS  72           HA       CYS  72  -0.276  -9.257  -6.747
  474    HB2  CYS  72           HB2      CYS  72  -0.932 -10.242  -4.013
  475    HB3  CYS  72           HB1      CYS  72   0.616  -9.427  -4.232
  476    H    THR  73           HN       THR  73   2.126  -9.325  -6.102
  477    HA   THR  73           HA       THR  73   3.137 -12.075  -6.413
  478    HB   THR  73           HB       THR  73   4.762 -11.368  -7.976
  479    HG1  THR  73           HG1      THR  73   5.359  -9.320  -8.261
  480   HG21  THR  73          HG21      THR  73   2.195 -11.244  -8.669
  481   HG22  THR  73          HG22      THR  73   3.509 -10.873  -9.786
  482   HG23  THR  73          HG23      THR  73   2.647  -9.566  -8.973
  483    H    GLY  74           HN       GLY  74   2.968  -9.670  -4.261
  484    HA2  GLY  74           HA2      GLY  74   4.211  -9.037  -2.438
  485    HA3  GLY  74           HA1      GLY  74   4.949 -10.625  -2.569
  486    H    LYS  75           HN       LYS  75   5.280  -8.508  -5.265
  487    HA   LYS  75           HA       LYS  75   7.994  -7.774  -4.400
  488    HB2  LYS  75           HB2      LYS  75   7.214  -8.703  -7.169
  489    HB3  LYS  75           HB1      LYS  75   8.819  -8.196  -6.663
  490    HG2  LYS  75           HG2      LYS  75   9.303 -10.219  -5.894
  491    HG3  LYS  75           HG1      LYS  75   7.809 -10.292  -4.957
  492    HD2  LYS  75           HD2      LYS  75   7.293 -11.963  -6.377
  493    HD3  LYS  75           HD1      LYS  75   6.848 -10.645  -7.462
  494    HE2  LYS  75           HE2      LYS  75   9.623 -11.798  -7.376
  495    HE3  LYS  75           HE1      LYS  75   8.358 -12.462  -8.409
  496    HZ1  LYS  75           HZ1      LYS  75   8.178 -10.387  -9.550
  497    HZ2  LYS  75           HZ2      LYS  75   9.811 -10.827  -9.530
  498    HZ3  LYS  75           HZ3      LYS  75   9.245  -9.630  -8.478
  499    H    SER  76           HN       SER  76   5.146  -7.000  -6.282
  500    HA   SER  76           HA       SER  76   6.132  -4.238  -6.530
  501    HB2  SER  76           HB2      SER  76   4.539  -5.870  -8.511
  502    HB3  SER  76           HB1      SER  76   4.666  -4.113  -8.605
  503    HG   SER  76           HG       SER  76   6.393  -4.590  -9.724
  504    H    SER  77           HN       SER  77   4.272  -2.665  -6.855
  505    HA   SER  77           HA       SER  77   2.316  -3.165  -4.764
  506    HB2  SER  77           HB2      SER  77   1.749  -0.741  -5.130
  507    HB3  SER  77           HB1      SER  77   3.429  -1.033  -4.681
  508    HG   SER  77           HG       SER  77   2.353  -0.150  -7.087
  509    H    ASP  78           HN       ASP  78   2.346  -4.084  -7.817
  510    HA   ASP  78           HA       ASP  78  -0.451  -3.317  -8.341
  511    HB2  ASP  78           HB2      ASP  78   0.099  -3.975 -10.735
  512    HB3  ASP  78           HB1      ASP  78   0.882  -2.517 -10.133
  513    H    CYS  79           HN       CYS  79  -1.935  -4.870  -8.953
  514    HA   CYS  79           HA       CYS  79  -1.130  -7.641  -8.385
  515    HB2  CYS  79           HB2      CYS  79  -3.229  -8.032  -7.418
  516    HB3  CYS  79           HB1      CYS  79  -2.792  -6.420  -6.858
  517    HA   PRO  80           HA       PRO  80  -2.073  -7.975 -12.828
  518    HB2  PRO  80           HB2      PRO  80  -0.902 -10.400 -13.158
  519    HB3  PRO  80           HB1      PRO  80   0.014  -8.889 -13.115
  520    HG2  PRO  80           HG2      PRO  80  -0.444 -10.887 -10.928
  521    HG3  PRO  80           HG1      PRO  80   1.059 -10.069 -11.397
  522    HD2  PRO  80           HD2      PRO  80  -0.419  -9.247  -9.297
  523    HD3  PRO  80           HD1      PRO  80   0.478  -8.109 -10.321
  524    H    TRP  81           HN       TRP  81  -3.794  -8.844 -13.811
  525    HA   TRP  81           HA       TRP  81  -5.826 -10.207 -12.474
  526    HB2  TRP  81           HB2      TRP  81  -5.690 -10.762 -15.366
  527    HB3  TRP  81           HB1      TRP  81  -6.998 -10.087 -14.408
  528    HD1  TRP  81           HD1      TRP  81  -3.864  -9.020 -16.362
  529    HE1  TRP  81           HE1      TRP  81  -4.080  -6.508 -16.888
  530    HE3  TRP  81           HE3      TRP  81  -8.034  -8.006 -13.641
  531    HZ2  TRP  81           HZ2      TRP  81  -5.813  -4.383 -16.229
  532    HZ3  TRP  81           HZ3      TRP  81  -8.931  -5.706 -13.636
  533    HH2  TRP  81           HH2      TRP  81  -7.834  -3.929 -14.906
  534    H    ASN  82           HN       ASN  82  -2.976 -11.410 -13.916
  535    HA   ASN  82           HA       ASN  82  -2.026 -13.489 -13.951
  536    HB2  ASN  82           HB2      ASN  82  -4.582 -14.266 -12.541
  537    HB3  ASN  82           HB1      ASN  82  -3.367 -15.446 -13.008
  538   HD21  ASN  82          HD21      ASN  82  -2.143 -16.012 -11.382
  539   HD22  ASN  82          HD22      ASN  82  -1.585 -14.983 -10.111
  540    H    HIS  83           HN       HIS  83  -3.685 -12.230 -15.984
  541    HA   HIS  83           HA       HIS  83  -4.819 -14.532 -17.401
  542    HB2  HIS  83           HB2      HIS  83  -5.077 -11.563 -17.956
  543    HB3  HIS  83           HB1      HIS  83  -5.899 -12.848 -18.842
  544    HD1  HIS  83           HD1      HIS  83  -7.367 -10.564 -17.243
  545    HD2  HIS  83           HD2      HIS  83  -6.664 -14.419 -15.866
  546    HE1  HIS  83           HE1      HIS  83  -9.083 -10.962 -15.450
  547    HE2  HIS  83           HE2      HIS  83  -8.591 -13.273 -14.579
  Start of MODEL   17
    1    H1   SER   1           HT1      SER   1  -7.876  15.187  17.606
    2    H2   SER   1           HT2      SER   1  -6.950  16.296  16.681
    3    H3   SER   1           HT3      SER   1  -8.410  16.805  17.423
    4    HA   SER   1           HA       SER   1  -7.200  17.531  19.055
    5    HB2  SER   1           HB2      SER   1  -7.978  15.787  20.355
    6    HB3  SER   1           HB1      SER   1  -7.196  14.557  19.364
    7    HG   SER   1           HG       SER   1  -5.705  14.571  20.834
    8    HA   PRO   2           HA       PRO   2  -2.669  16.003  18.525
    9    HB2  PRO   2           HB2      PRO   2  -2.147  14.024  16.758
   10    HB3  PRO   2           HB1      PRO   2  -2.588  13.705  18.438
   11    HG2  PRO   2           HG2      PRO   2  -4.313  13.637  15.988
   12    HG3  PRO   2           HG1      PRO   2  -4.232  12.479  17.329
   13    HD2  PRO   2           HD2      PRO   2  -6.166  14.359  17.153
   14    HD3  PRO   2           HD1      PRO   2  -5.525  13.799  18.711
   15    HA   PRO   3           HA       PRO   3  -1.853  18.265  14.804
   16    HB2  PRO   3           HB2      PRO   3   0.796  18.145  14.615
   17    HB3  PRO   3           HB1      PRO   3   0.019  18.916  16.003
   18    HG2  PRO   3           HG2      PRO   3   1.262  16.207  15.791
   19    HG3  PRO   3           HG1      PRO   3   1.333  17.372  17.125
   20    HD2  PRO   3           HD2      PRO   3  -0.371  15.182  17.001
   21    HD3  PRO   3           HD1      PRO   3  -0.610  16.605  18.033
   22    H    VAL   4           HN       VAL   4  -2.142  17.937  12.765
   23    HA   VAL   4           HA       VAL   4  -1.461  15.430  11.548
   24    HB   VAL   4           HB       VAL   4  -2.661  17.505   9.861
   25   HG11  VAL   4          HG11      VAL   4  -4.291  15.554   9.520
   26   HG12  VAL   4          HG12      VAL   4  -3.159  14.620  10.496
   27   HG13  VAL   4          HG13      VAL   4  -2.626  15.345   8.982
   28   HG21  VAL   4          HG21      VAL   4  -4.950  16.999  10.990
   29   HG22  VAL   4          HG22      VAL   4  -3.913  18.263  11.651
   30   HG23  VAL   4          HG23      VAL   4  -3.967  16.676  12.419
   31    H    CYS   5           HN       CYS   5   0.749  15.533  11.348
   32    HA   CYS   5           HA       CYS   5   2.144  17.796  10.360
   33    HB2  CYS   5           HB2      CYS   5   3.424  15.180   9.863
   34    HB3  CYS   5           HB1      CYS   5   4.051  16.596  10.688
   35    H    GLY   6           HN       GLY   6   1.373  18.559   8.472
   36    HA2  GLY   6           HA2      GLY   6   1.580  18.702   6.136
   37    HA3  GLY   6           HA1      GLY   6   1.940  16.981   6.084
   38    H    ASN   7           HN       ASN   7  -0.752  17.961   7.987
   39    HA   ASN   7           HA       ASN   7  -2.993  17.634   7.811
   40    HB2  ASN   7           HB2      ASN   7  -2.203  18.516   5.090
   41    HB3  ASN   7           HB1      ASN   7  -3.757  17.690   5.200
   42   HD21  ASN   7          HD21      ASN   7  -4.738  19.669   4.590
   43   HD22  ASN   7          HD22      ASN   7  -4.978  20.930   5.746
   44    H    LYS   8           HN       LYS   8  -4.382  15.908   7.670
   45    HA   LYS   8           HA       LYS   8  -3.416  13.357   7.420
   46    HB2  LYS   8           HB2      LYS   8  -5.687  14.125   8.318
   47    HB3  LYS   8           HB1      LYS   8  -6.245  14.070   6.652
   48    HG2  LYS   8           HG2      LYS   8  -4.896  11.654   7.703
   49    HG3  LYS   8           HG1      LYS   8  -6.506  12.024   8.326
   50    HD2  LYS   8           HD2      LYS   8  -6.139  12.198   5.395
   51    HD3  LYS   8           HD1      LYS   8  -6.090  10.584   6.105
   52    HE2  LYS   8           HE2      LYS   8  -8.254  11.463   7.348
   53    HE3  LYS   8           HE1      LYS   8  -8.333  12.530   5.946
   54    HZ1  LYS   8           HZ1      LYS   8  -9.546  10.339   5.776
   55    HZ2  LYS   8           HZ2      LYS   8  -8.029   9.598   5.679
   56    HZ3  LYS   8           HZ3      LYS   8  -8.502  10.712   4.498
   57    H    ILE   9           HN       ILE   9  -2.157  12.888   5.672
   58    HA   ILE   9           HA       ILE   9  -2.417  13.707   3.085
   59    HB   ILE   9           HB       ILE   9  -1.436  11.548   2.294
   60   HG12  ILE   9          HG12      ILE   9  -0.544  10.052   4.125
   61   HG13  ILE   9          HG11      ILE   9  -1.685  10.840   5.217
   62   HG21  ILE   9          HG21      ILE   9   0.700  12.003   3.182
   63   HG22  ILE   9          HG22      ILE   9   0.020  12.693   4.656
   64   HG23  ILE   9          HG23      ILE   9  -0.161  13.540   3.119
   65   HD11  ILE   9          HD11      ILE   9  -2.867   9.823   2.739
   66   HD12  ILE   9          HD12      ILE   9  -3.425   9.687   4.407
   67   HD13  ILE   9          HD13      ILE   9  -2.188   8.589   3.799
   68    H    LEU  10           HN       LEU  10  -3.600  13.318   1.336
   69    HA   LEU  10           HA       LEU  10  -5.974  11.656   1.727
   70    HB2  LEU  10           HB2      LEU  10  -6.932  13.038  -0.133
   71    HB3  LEU  10           HB1      LEU  10  -6.559  13.916   1.340
   72    HG   LEU  10           HG       LEU  10  -5.976  14.972  -0.950
   73   HD11  LEU  10          HD11      LEU  10  -3.612  15.578   0.284
   74   HD12  LEU  10          HD12      LEU  10  -4.609  15.007   1.622
   75   HD13  LEU  10          HD13      LEU  10  -5.168  16.340   0.611
   76   HD21  LEU  10          HD21      LEU  10  -3.556  13.213  -0.589
   77   HD22  LEU  10          HD22      LEU  10  -3.780  14.463  -1.813
   78   HD23  LEU  10          HD23      LEU  10  -4.781  13.012  -1.841
   79    H    GLU  11           HN       GLU  11  -3.137  11.104   0.593
   80    HA   GLU  11           HA       GLU  11  -3.782   8.956  -1.046
   81    HB2  GLU  11           HB2      GLU  11  -3.226   9.718  -3.265
   82    HB3  GLU  11           HB1      GLU  11  -4.504  10.743  -2.630
   83    HG2  GLU  11           HG2      GLU  11  -2.449  12.230  -1.889
   84    HG3  GLU  11           HG1      GLU  11  -1.671  11.383  -3.225
   85    H    GLN  12           HN       GLN  12  -2.039   9.163   0.997
   86    HA   GLN  12           HA       GLN  12   0.535   8.802  -0.352
   87    HB2  GLN  12           HB2      GLN  12   0.262  10.264   2.271
   88    HB3  GLN  12           HB1      GLN  12   1.729  10.027   1.336
   89    HG2  GLN  12           HG2      GLN  12  -0.616  11.516   0.217
   90    HG3  GLN  12           HG1      GLN  12   0.584  12.308   1.235
   91   HE21  GLN  12          HE21      GLN  12   2.312  13.119   0.279
   92   HE22  GLN  12          HE22      GLN  12   2.847  12.753  -1.322
   93    H    GLY  13           HN       GLY  13  -0.441   8.713   3.051
   94    HA2  GLY  13           HA2      GLY  13  -0.227   7.082   4.651
   95    HA3  GLY  13           HA1      GLY  13  -0.708   5.971   3.377
   96    H    GLU  14           HN       GLU  14   2.112   7.779   2.764
   97    HA   GLU  14           HA       GLU  14   4.262   6.828   3.898
   98    HB2  GLU  14           HB2      GLU  14   2.968   4.544   2.551
   99    HB3  GLU  14           HB1      GLU  14   4.681   4.726   2.209
  100    HG2  GLU  14           HG2      GLU  14   5.284   4.030   4.234
  101    HG3  GLU  14           HG1      GLU  14   4.038   4.980   5.037
  102    H    ASP  15           HN       ASP  15   2.617   7.405   0.952
  103    HA   ASP  15           HA       ASP  15   4.598   7.445  -0.962
  104    HB2  ASP  15           HB2      ASP  15   2.207   7.907  -1.386
  105    HB3  ASP  15           HB1      ASP  15   2.368   9.460  -0.573
  106    H    CYS  16           HN       CYS  16   3.524  10.298   0.818
  107    HA   CYS  16           HA       CYS  16   6.116  11.154   1.552
  108    HB2  CYS  16           HB2      CYS  16   6.119  11.640  -0.909
  109    HB3  CYS  16           HB1      CYS  16   4.795  12.769  -0.639
  110    H    ASP  17           HN       ASP  17   5.077  11.257   3.497
  111    HA   ASP  17           HA       ASP  17   4.386  12.824   5.133
  112    HB2  ASP  17           HB2      ASP  17   3.885  14.537   3.294
  113    HB3  ASP  17           HB1      ASP  17   2.282  13.811   3.204
  114    H    CYS  18           HN       CYS  18   2.320  12.845   6.391
  115    HA   CYS  18           HA       CYS  18   0.476  10.711   5.659
  116    HB2  CYS  18           HB2      CYS  18   2.567  10.378   7.568
  117    HB3  CYS  18           HB1      CYS  18   1.039  10.407   8.445
  118    H    GLY  19           HN       GLY  19   1.315  13.474   7.628
  119    HA2  GLY  19           HA2      GLY  19  -0.028  15.067   8.613
  120    HA3  GLY  19           HA1      GLY  19  -1.363  14.383   7.701
  121    H    SER  20           HN       SER  20  -2.133  12.203   8.548
  122    HA   SER  20           HA       SER  20  -3.160  12.556  11.054
  123    HB2  SER  20           HB2      SER  20  -3.832  10.237  11.014
  124    HB3  SER  20           HB1      SER  20  -4.037  10.953   9.417
  125    HG   SER  20           HG       SER  20  -2.792   9.424   8.713
  126    HA   PRO  21           HA       PRO  21   0.660  12.289  13.402
  127    HB2  PRO  21           HB2      PRO  21  -0.884  12.429  15.777
  128    HB3  PRO  21           HB1      PRO  21  -0.025  13.750  14.985
  129    HG2  PRO  21           HG2      PRO  21  -2.894  13.005  14.840
  130    HG3  PRO  21           HG1      PRO  21  -2.137  14.602  14.706
  131    HD2  PRO  21           HD2      PRO  21  -3.116  13.328  12.562
  132    HD3  PRO  21           HD1      PRO  21  -1.648  14.310  12.468
  133    H    ALA  22           HN       ALA  22  -2.246  10.354  13.712
  134    HA   ALA  22           HA       ALA  22  -1.467   8.478  15.590
  135    HB1  ALA  22           HB1      ALA  22  -2.815   6.896  13.898
  136    HB2  ALA  22           HB2      ALA  22  -3.302   8.470  13.269
  137    HB3  ALA  22           HB3      ALA  22  -3.606   8.062  14.958
  138    H    ASN  23           HN       ASN  23  -0.329   9.003  12.370
  139    HA   ASN  23           HA       ASN  23   1.338   6.585  12.531
  140    HB2  ASN  23           HB2      ASN  23   0.694   8.127  10.015
  141    HB3  ASN  23           HB1      ASN  23   1.394   6.515  10.151
  142   HD21  ASN  23          HD21      ASN  23  -1.516   8.371  10.895
  143   HD22  ASN  23          HD22      ASN  23  -2.621   7.061  10.676
  144    H    CYS  24           HN       CYS  24   1.313  10.046  12.282
  145    HA   CYS  24           HA       CYS  24   3.832  10.578  11.235
  146    HB2  CYS  24           HB2      CYS  24   1.964  12.222  11.895
  147    HB3  CYS  24           HB1      CYS  24   2.646  12.156  13.515
  148    H    GLN  25           HN       GLN  25   5.569   9.446  11.862
  149    HA   GLN  25           HA       GLN  25   7.378   8.900  13.144
  150    HB2  GLN  25           HB2      GLN  25   6.130  10.252  15.524
  151    HB3  GLN  25           HB1      GLN  25   7.835  10.011  15.168
  152    HG2  GLN  25           HG2      GLN  25   6.747  11.545  13.061
  153    HG3  GLN  25           HG1      GLN  25   6.178  12.245  14.576
  154   HE21  GLN  25          HE21      GLN  25   7.565  13.363  15.830
  155   HE22  GLN  25          HE22      GLN  25   9.229  13.629  15.448
  156    H    ASP  26           HN       ASP  26   7.862   7.055  14.226
  157    HA   ASP  26           HA       ASP  26   7.600   5.133  15.422
  158    HB2  ASP  26           HB2      ASP  26   5.024   6.248  16.532
  159    HB3  ASP  26           HB1      ASP  26   6.066   5.019  17.241
  160    H    ARG  27           HN       ARG  27   6.482   5.563  12.763
  161    HA   ARG  27           HA       ARG  27   4.705   3.249  12.721
  162    HB2  ARG  27           HB2      ARG  27   3.552   5.690  12.617
  163    HB3  ARG  27           HB1      ARG  27   3.895   5.448  10.909
  164    HG2  ARG  27           HG2      ARG  27   1.887   4.451  10.908
  165    HG3  ARG  27           HG1      ARG  27   2.788   3.065  11.523
  166    HD2  ARG  27           HD2      ARG  27   1.927   4.985  13.571
  167    HD3  ARG  27           HD1      ARG  27   0.613   4.163  12.731
  168    HE   ARG  27           HE       ARG  27   2.408   3.027  14.637
  169   HH11  ARG  27          HH11      ARG  27   0.484   2.304  11.816
  170   HH12  ARG  27          HH12      ARG  27   0.316   0.626  12.207
  171   HH21  ARG  27          HH21      ARG  27   2.189   0.819  15.151
  172   HH22  ARG  27          HH22      ARG  27   1.284  -0.218  14.100
  173    H    CYS  28           HN       CYS  28   4.082   3.258  10.024
  174    HA   CYS  28           HA       CYS  28   6.713   2.721   8.881
  175    HB2  CYS  28           HB2      CYS  28   3.977   1.688   8.441
  176    HB3  CYS  28           HB1      CYS  28   4.993   1.802   7.008
  177    H    CYS  29           HN       CYS  29   4.878   5.362   9.023
  178    HA   CYS  29           HA       CYS  29   5.687   6.229   6.335
  179    HB2  CYS  29           HB2      CYS  29   3.641   7.342   5.930
  180    HB3  CYS  29           HB1      CYS  29   3.186   5.756   6.539
  181    H    ASN  30           HN       ASN  30   6.151   8.459   6.114
  182    HA   ASN  30           HA       ASN  30   6.855   9.746   8.670
  183    HB2  ASN  30           HB2      ASN  30   8.099   9.828   5.945
  184    HB3  ASN  30           HB1      ASN  30   8.374  11.119   7.091
  185   HD21  ASN  30          HD21      ASN  30   8.548   9.772   9.454
  186   HD22  ASN  30          HD22      ASN  30   9.916   8.718   9.433
  187    H    ALA  31           HN       ALA  31   5.145  10.923   9.167
  188    HA   ALA  31           HA       ALA  31   3.821  12.591   7.211
  189    HB1  ALA  31           HB1      ALA  31   3.284  11.765   9.975
  190    HB2  ALA  31           HB2      ALA  31   2.158  12.143   8.678
  191    HB3  ALA  31           HB3      ALA  31   2.861  13.438   9.635
  192    H    ALA  32           HN       ALA  32   6.382  12.731   9.462
  193    HA   ALA  32           HA       ALA  32   6.554  15.664   9.269
  194    HB1  ALA  32           HB1      ALA  32   8.155  13.844  11.060
  195    HB2  ALA  32           HB2      ALA  32   6.620  14.576  11.532
  196    HB3  ALA  32           HB3      ALA  32   8.008  15.599  11.161
  197    H    THR  33           HN       THR  33   7.684  12.876   7.846
  198    HA   THR  33           HA       THR  33  10.118  14.218   6.899
  199    HB   THR  33           HB       THR  33  10.270  11.333   6.708
  200    HG1  THR  33           HG1      THR  33   8.935  11.642   8.680
  201   HG21  THR  33          HG21      THR  33  12.132  13.039   6.696
  202   HG22  THR  33          HG22      THR  33  12.364  11.583   7.666
  203   HG23  THR  33          HG23      THR  33  11.920  13.101   8.446
  204    H    CYS  34           HN       CYS  34   7.245  13.818   5.894
  205    HA   CYS  34           HA       CYS  34   6.133  13.098   4.009
  206    HB2  CYS  34           HB2      CYS  34   7.267  15.394   3.673
  207    HB3  CYS  34           HB1      CYS  34   8.337  14.533   2.573
  208    H    LYS  35           HN       LYS  35   7.282  10.768   4.532
  209    HA   LYS  35           HA       LYS  35   7.596   9.624   2.003
  210    HB2  LYS  35           HB2      LYS  35   9.900  10.921   2.607
  211    HB3  LYS  35           HB1      LYS  35  10.255   9.305   3.204
  212    HG2  LYS  35           HG2      LYS  35  10.977   9.118   1.046
  213    HG3  LYS  35           HG1      LYS  35   9.306   8.572   0.871
  214    HD2  LYS  35           HD2      LYS  35   9.831  10.127  -0.899
  215    HD3  LYS  35           HD1      LYS  35   8.667  10.865   0.203
  216    HE2  LYS  35           HE2      LYS  35  10.323  12.234   1.187
  217    HE3  LYS  35           HE1      LYS  35  11.630  11.313   0.445
  218    HZ1  LYS  35           HZ1      LYS  35   9.653  12.759  -1.204
  219    HZ2  LYS  35           HZ2      LYS  35  11.205  12.239  -1.629
  220    HZ3  LYS  35           HZ3      LYS  35  11.012  13.549  -0.577
  221    H    LEU  36           HN       LEU  36   7.697   7.427   1.955
  222    HA   LEU  36           HA       LEU  36   6.788   6.039   4.224
  223    HB2  LEU  36           HB2      LEU  36   6.951   4.053   2.950
  224    HB3  LEU  36           HB1      LEU  36   6.532   5.320   1.818
  225    HG   LEU  36           HG       LEU  36   9.258   4.079   2.184
  226   HD11  LEU  36          HD11      LEU  36   8.723   2.680   0.540
  227   HD12  LEU  36          HD12      LEU  36   8.109   3.995  -0.462
  228   HD13  LEU  36          HD13      LEU  36   7.052   3.217   0.716
  229   HD21  LEU  36          HD21      LEU  36   8.346   6.317   0.381
  230   HD22  LEU  36          HD22      LEU  36   9.887   5.472   0.232
  231   HD23  LEU  36          HD23      LEU  36   9.535   6.414   1.681
  232    H    THR  37           HN       THR  37   7.832   5.317   5.968
  233    HA   THR  37           HA       THR  37  10.546   5.807   6.413
  234    HB   THR  37           HB       THR  37  10.233   4.237   8.391
  235    HG1  THR  37           HG1      THR  37   8.587   2.969   8.194
  236   HG21  THR  37          HG21      THR  37   8.238   5.749   9.275
  237   HG22  THR  37          HG22      THR  37   8.717   6.710   7.876
  238   HG23  THR  37          HG23      THR  37   9.897   6.331   9.132
  239    HA   PRO  38           HA       PRO  38  13.098   2.594   4.872
  240    HB2  PRO  38           HB2      PRO  38  13.725   2.006   7.739
  241    HB3  PRO  38           HB1      PRO  38  14.827   2.223   6.373
  242    HG2  PRO  38           HG2      PRO  38  14.498   4.176   8.126
  243    HG3  PRO  38           HG1      PRO  38  14.594   4.542   6.392
  244    HD2  PRO  38           HD2      PRO  38  12.216   4.495   8.193
  245    HD3  PRO  38           HD1      PRO  38  12.566   5.551   6.809
  246    H    GLY  39           HN       GLY  39  12.956   0.440   4.406
  247    HA2  GLY  39           HA2      GLY  39  12.423  -1.821   4.807
  248    HA3  GLY  39           HA1      GLY  39  11.491  -1.328   6.213
  249    H    SER  40           HN       SER  40   9.912   0.663   4.950
  250    HA   SER  40           HA       SER  40   7.756  -0.845   4.047
  251    HB2  SER  40           HB2      SER  40   6.749   1.284   3.378
  252    HB3  SER  40           HB1      SER  40   7.560   1.455   4.935
  253    HG   SER  40           HG       SER  40   8.749   2.140   2.454
  254    H    GLN  41           HN       GLN  41   7.779  -2.107   2.298
  255    HA   GLN  41           HA       GLN  41   9.403  -1.574   0.012
  256    HB2  GLN  41           HB2      GLN  41   7.491  -3.678   0.850
  257    HB3  GLN  41           HB1      GLN  41   7.695  -3.469  -0.884
  258    HG2  GLN  41           HG2      GLN  41  10.179  -3.595   0.690
  259    HG3  GLN  41           HG1      GLN  41   9.224  -5.076   0.633
  260   HE21  GLN  41          HE21      GLN  41   9.796  -2.536  -1.769
  261   HE22  GLN  41          HE22      GLN  41  10.439  -3.586  -2.982
  262    H    CYS  42           HN       CYS  42   6.087  -0.951   0.884
  263    HA   CYS  42           HA       CYS  42   5.798   0.757  -1.435
  264    HB2  CYS  42           HB2      CYS  42   5.054  -1.414  -2.297
  265    HB3  CYS  42           HB1      CYS  42   3.909  -1.558  -0.967
  266    H    ASN  43           HN       ASN  43   4.461   2.444  -1.079
  267    HA   ASN  43           HA       ASN  43   3.631   2.960   1.592
  268    HB2  ASN  43           HB2      ASN  43   2.610   5.034   0.550
  269    HB3  ASN  43           HB1      ASN  43   4.338   4.827   0.283
  270   HD21  ASN  43          HD21      ASN  43   1.824   5.987  -1.181
  271   HD22  ASN  43          HD22      ASN  43   2.105   5.511  -2.817
  272    H    TYR  44           HN       TYR  44   1.999   2.048  -1.375
  273    HA   TYR  44           HA       TYR  44  -0.124   0.743  -0.113
  274    HB2  TYR  44           HB2      TYR  44  -1.983   2.236  -0.433
  275    HB3  TYR  44           HB1      TYR  44  -0.762   3.094   0.500
  276    HD1  TYR  44           HD2      TYR  44  -1.948   2.631  -3.006
  277    HD2  TYR  44           HD1      TYR  44  -0.081   5.196  -0.181
  278    HE1  TYR  44           HE2      TYR  44  -1.955   4.437  -4.662
  279    HE2  TYR  44           HE1      TYR  44  -0.072   7.022  -1.816
  280    HH   TYR  44           HH       TYR  44  -1.924   7.111  -4.474
  281    H    GLY  45           HN       GLY  45  -1.919   0.233  -1.723
  282    HA2  GLY  45           HA2      GLY  45  -2.272   0.571  -4.264
  283    HA3  GLY  45           HA1      GLY  45  -0.658  -0.116  -4.353
  284    H    GLU  46           HN       GLU  46  -2.015  -1.596  -5.758
  285    HA   GLU  46           HA       GLU  46  -3.876  -3.390  -4.720
  286    HB2  GLU  46           HB2      GLU  46  -1.957  -3.489  -7.017
  287    HB3  GLU  46           HB1      GLU  46  -2.907  -4.909  -6.606
  288    HG2  GLU  46           HG2      GLU  46  -4.881  -3.956  -7.240
  289    HG3  GLU  46           HG1      GLU  46  -4.318  -2.316  -6.920
  290    H    CYS  47           HN       CYS  47  -0.351  -3.666  -4.929
  291    HA   CYS  47           HA       CYS  47  -0.469  -6.106  -3.286
  292    HB2  CYS  47           HB2      CYS  47   1.392  -5.072  -5.355
  293    HB3  CYS  47           HB1      CYS  47   2.106  -5.997  -4.042
  294    H    CYS  48           HN       CYS  48  -0.807  -3.477  -2.084
  295    HA   CYS  48           HA       CYS  48   1.616  -3.485  -0.414
  296    HB2  CYS  48           HB2      CYS  48   0.135  -0.947  -1.001
  297    HB3  CYS  48           HB1      CYS  48   1.777  -1.152  -0.404
  298    H    ASP  49           HN       ASP  49   1.345  -3.386   1.720
  299    HA   ASP  49           HA       ASP  49  -1.160  -2.541   2.898
  300    HB2  ASP  49           HB2      ASP  49  -0.434  -5.370   2.577
  301    HB3  ASP  49           HB1      ASP  49  -0.837  -4.924   4.232
  302    H    GLN  50           HN       GLN  50  -0.617  -1.333   4.584
  303    HA   GLN  50           HA       GLN  50   0.445  -0.543   6.438
  304    HB2  GLN  50           HB2      GLN  50   0.954  -3.415   6.514
  305    HB3  GLN  50           HB1      GLN  50   2.239  -2.489   7.277
  306    HG2  GLN  50           HG2      GLN  50  -0.478  -1.670   8.015
  307    HG3  GLN  50           HG1      GLN  50  -0.024  -3.299   8.514
  308   HE21  GLN  50          HE21      GLN  50   1.461  -0.073   8.384
  309   HE22  GLN  50          HE22      GLN  50   2.131  -0.132   9.975
  310    H    CYS  51           HN       CYS  51   2.931  -2.649   4.983
  311    HA   CYS  51           HA       CYS  51   4.374  -0.604   3.731
  312    HB2  CYS  51           HB2      CYS  51   6.381  -0.885   5.488
  313    HB3  CYS  51           HB1      CYS  51   5.192   0.406   5.601
  314    H    ARG  52           HN       ARG  52   3.565  -3.272   3.214
  315    HA   ARG  52           HA       ARG  52   6.098  -4.347   2.332
  316    HB2  ARG  52           HB2      ARG  52   4.581  -5.533   4.573
  317    HB3  ARG  52           HB1      ARG  52   5.100  -6.666   3.333
  318    HG2  ARG  52           HG2      ARG  52   7.154  -4.777   4.264
  319    HG3  ARG  52           HG1      ARG  52   6.597  -5.956   5.452
  320    HD2  ARG  52           HD2      ARG  52   7.323  -7.761   4.191
  321    HD3  ARG  52           HD1      ARG  52   7.334  -6.836   2.691
  322    HE   ARG  52           HE       ARG  52   9.233  -5.646   4.259
  323   HH11  ARG  52          HH11      ARG  52   8.681  -8.879   3.067
  324   HH12  ARG  52          HH12      ARG  52  10.364  -9.283   3.017
  325   HH21  ARG  52          HH21      ARG  52  11.447  -6.175   4.194
  326   HH22  ARG  52          HH22      ARG  52  11.935  -7.748   3.658
  327    H    PHE  53           HN       PHE  53   5.866  -5.962   0.687
  328    HA   PHE  53           HA       PHE  53   3.557  -5.579  -0.923
  329    HB2  PHE  53           HB2      PHE  53   5.926  -7.428  -1.165
  330    HB3  PHE  53           HB1      PHE  53   4.598  -7.456  -2.324
  331    HD1  PHE  53           HD2      PHE  53   3.984  -4.580  -2.505
  332    HD2  PHE  53           HD1      PHE  53   7.717  -6.611  -2.421
  333    HE1  PHE  53           HE2      PHE  53   4.996  -2.740  -3.750
  334    HE2  PHE  53           HE1      PHE  53   8.750  -4.761  -3.673
  335    HZ   PHE  53           HZ       PHE  53   7.390  -2.818  -4.343
  336    H    LYS  54           HN       LYS  54   1.804  -6.833  -1.268
  337    HA   LYS  54           HA       LYS  54   0.973  -8.595   0.764
  338    HB2  LYS  54           HB2      LYS  54  -0.051  -7.867  -1.946
  339    HB3  LYS  54           HB1      LYS  54  -0.734  -9.274  -1.142
  340    HG2  LYS  54           HG2      LYS  54  -1.501  -7.964   0.683
  341    HG3  LYS  54           HG1      LYS  54  -0.597  -6.553   0.129
  342    HD2  LYS  54           HD2      LYS  54  -2.203  -5.957  -1.317
  343    HD3  LYS  54           HD1      LYS  54  -2.435  -7.614  -1.878
  344    HE2  LYS  54           HE2      LYS  54  -3.591  -7.939   0.434
  345    HE3  LYS  54           HE1      LYS  54  -3.732  -6.181   0.403
  346    HZ1  LYS  54           HZ1      LYS  54  -5.703  -7.043  -0.528
  347    HZ2  LYS  54           HZ2      LYS  54  -4.867  -8.121  -1.528
  348    HZ3  LYS  54           HZ3      LYS  54  -4.797  -6.459  -1.833
  349    H    LYS  55           HN       LYS  55   2.270 -10.335   1.131
  350    HA   LYS  55           HA       LYS  55   3.847 -11.873  -0.295
  351    HB2  LYS  55           HB2      LYS  55   3.174 -12.395   2.017
  352    HB3  LYS  55           HB1      LYS  55   1.654 -13.049   1.421
  353    HG2  LYS  55           HG2      LYS  55   2.611 -14.961   0.660
  354    HG3  LYS  55           HG1      LYS  55   4.151 -14.179   0.299
  355    HD2  LYS  55           HD2      LYS  55   3.276 -14.452   3.140
  356    HD3  LYS  55           HD1      LYS  55   3.949 -15.853   2.303
  357    HE2  LYS  55           HE2      LYS  55   5.760 -14.791   3.399
  358    HE3  LYS  55           HE1      LYS  55   5.911 -14.398   1.687
  359    HZ1  LYS  55           HZ1      LYS  55   4.551 -12.583   3.585
  360    HZ2  LYS  55           HZ2      LYS  55   5.170 -12.228   2.052
  361    HZ3  LYS  55           HZ3      LYS  55   6.225 -12.521   3.341
  362    H    ALA  56           HN       ALA  56   3.886 -13.021  -2.115
  363    HA   ALA  56           HA       ALA  56   2.009 -13.040  -4.046
  364    HB1  ALA  56           HB1      ALA  56   3.027 -15.328  -4.733
  365    HB2  ALA  56           HB2      ALA  56   4.144 -15.020  -3.400
  366    HB3  ALA  56           HB3      ALA  56   4.036 -13.880  -4.742
  367    H    GLY  57           HN       GLY  57   0.153 -14.024  -4.506
  368    HA2  GLY  57           HA2      GLY  57  -1.260 -16.019  -4.388
  369    HA3  GLY  57           HA1      GLY  57  -0.688 -16.247  -2.740
  370    H    THR  58           HN       THR  58  -0.940 -13.098  -2.737
  371    HA   THR  58           HA       THR  58  -3.540 -13.098  -1.494
  372    HB   THR  58           HB       THR  58  -1.579 -10.849  -2.021
  373    HG1  THR  58           HG1      THR  58  -2.128 -12.355   0.322
  374   HG21  THR  58          HG21      THR  58  -4.248 -10.619  -1.319
  375   HG22  THR  58          HG22      THR  58  -2.986  -9.391  -1.152
  376   HG23  THR  58          HG23      THR  58  -3.364 -10.460   0.200
  377    H    VAL  59           HN       VAL  59  -5.305 -13.049  -2.759
  378    HA   VAL  59           HA       VAL  59  -5.271 -12.116  -5.430
  379    HB   VAL  59           HB       VAL  59  -6.878 -13.815  -4.706
  380   HG11  VAL  59          HG11      VAL  59  -7.236 -12.335  -2.482
  381   HG12  VAL  59          HG12      VAL  59  -8.357 -13.584  -3.024
  382   HG13  VAL  59          HG13      VAL  59  -8.677 -11.890  -3.396
  383   HG21  VAL  59          HG21      VAL  59  -8.645 -13.127  -6.037
  384   HG22  VAL  59          HG22      VAL  59  -7.323 -12.101  -6.595
  385   HG23  VAL  59          HG23      VAL  59  -8.536 -11.454  -5.491
  386    H    CYS  60           HN       CYS  60  -5.191 -10.058  -6.069
  387    HA   CYS  60           HA       CYS  60  -6.314  -7.997  -4.302
  388    HB2  CYS  60           HB2      CYS  60  -4.552  -7.427  -6.663
  389    HB3  CYS  60           HB1      CYS  60  -4.839  -6.434  -5.240
  390    H    ARG  61           HN       ARG  61  -6.796  -9.550  -7.321
  391    HA   ARG  61           HA       ARG  61  -9.119  -7.892  -7.840
  392    HB2  ARG  61           HB2      ARG  61  -6.695  -7.358  -9.179
  393    HB3  ARG  61           HB1      ARG  61  -7.722  -8.177 -10.348
  394    HG2  ARG  61           HG2      ARG  61  -9.480  -6.410  -9.337
  395    HG3  ARG  61           HG1      ARG  61  -7.981  -5.507  -9.134
  396    HD2  ARG  61           HD2      ARG  61  -9.342  -6.413 -11.627
  397    HD3  ARG  61           HD1      ARG  61  -8.619  -4.853 -11.248
  398    HE   ARG  61           HE       ARG  61  -7.376  -6.958 -12.621
  399   HH11  ARG  61          HH11      ARG  61  -6.679  -4.607 -10.134
  400   HH12  ARG  61          HH12      ARG  61  -4.975  -4.616 -10.433
  401   HH21  ARG  61          HH21      ARG  61  -5.140  -6.973 -13.008
  402   HH22  ARG  61          HH22      ARG  61  -4.100  -5.956 -12.067
  403    H    ILE  62           HN       ILE  62 -10.023  -8.698 -10.144
  404    HA   ILE  62           HA       ILE  62  -9.630 -11.317 -10.982
  405    HB   ILE  62           HB       ILE  62 -10.409 -12.066  -8.829
  406   HG12  ILE  62          HG12      ILE  62 -12.402 -13.386  -9.506
  407   HG13  ILE  62          HG11      ILE  62 -12.549 -12.382 -10.945
  408   HG21  ILE  62          HG21      ILE  62 -12.250 -11.299  -7.707
  409   HG22  ILE  62          HG22      ILE  62 -13.090 -10.832  -9.188
  410   HG23  ILE  62          HG23      ILE  62 -11.772  -9.835  -8.568
  411   HD11  ILE  62          HD11      ILE  62 -11.483 -14.327 -11.664
  412   HD12  ILE  62          HD12      ILE  62 -10.416 -14.368 -10.260
  413   HD13  ILE  62          HD13      ILE  62 -10.186 -13.142 -11.507
  414    H    ALA  63           HN       ALA  63 -10.691 -11.616 -12.844
  415    HA   ALA  63           HA       ALA  63 -12.065  -9.476 -14.011
  416    HB1  ALA  63           HB1      ALA  63 -11.449 -10.592 -15.814
  417    HB2  ALA  63           HB2      ALA  63 -12.718 -11.770 -15.493
  418    HB3  ALA  63           HB3      ALA  63 -11.094 -12.025 -14.852
  419    H    ARG  64           HN       ARG  64 -13.751 -12.538 -14.289
  420    HA   ARG  64           HA       ARG  64 -15.916 -11.559 -12.593
  421    HB2  ARG  64           HB2      ARG  64 -16.135 -10.944 -15.152
  422    HB3  ARG  64           HB1      ARG  64 -16.670 -12.614 -15.283
  423    HG2  ARG  64           HG2      ARG  64 -18.542 -11.062 -15.044
  424    HG3  ARG  64           HG1      ARG  64 -18.453 -12.201 -13.698
  425    HD2  ARG  64           HD2      ARG  64 -17.789 -10.587 -12.199
  426    HD3  ARG  64           HD1      ARG  64 -17.095  -9.559 -13.453
  427    HE   ARG  64           HE       ARG  64 -19.744  -9.451 -12.443
  428   HH11  ARG  64          HH11      ARG  64 -17.894  -9.067 -15.377
  429   HH12  ARG  64          HH12      ARG  64 -19.027  -7.973 -16.096
  430   HH21  ARG  64          HH21      ARG  64 -21.236  -8.013 -13.388
  431   HH22  ARG  64          HH22      ARG  64 -20.924  -7.374 -14.967
  432    H    GLY  65           HN       GLY  65 -15.331 -13.305 -11.205
  433    HA2  GLY  65           HA2      GLY  65 -16.600 -15.422 -10.738
  434    HA3  GLY  65           HA1      GLY  65 -16.004 -15.962 -12.301
  435    H    ASP  66           HN       ASP  66 -14.096 -16.953 -12.418
  436    HA   ASP  66           HA       ASP  66 -11.889 -16.535 -10.796
  437    HB2  ASP  66           HB2      ASP  66 -13.784 -17.755  -9.273
  438    HB3  ASP  66           HB1      ASP  66 -12.923 -19.154  -9.909
  439    H    TRP  67           HN       TRP  67 -10.852 -16.765 -12.727
  440    HA   TRP  67           HA       TRP  67 -10.688 -19.505 -13.804
  441    HB2  TRP  67           HB2      TRP  67  -9.760 -17.718 -15.776
  442    HB3  TRP  67           HB1      TRP  67 -11.248 -18.656 -15.804
  443    HD1  TRP  67           HD1      TRP  67 -10.110 -15.210 -14.344
  444    HE1  TRP  67           HE1      TRP  67 -12.062 -13.581 -14.623
  445    HE3  TRP  67           HE3      TRP  67 -13.525 -18.385 -16.424
  446    HZ2  TRP  67           HZ2      TRP  67 -14.696 -13.616 -15.608
  447    HZ3  TRP  67           HZ3      TRP  67 -15.748 -17.503 -17.017
  448    HH2  TRP  67           HH2      TRP  67 -16.320 -15.162 -16.615
  449    H    ASN  68           HN       ASN  68  -8.883 -16.501 -14.106
  450    HA   ASN  68           HA       ASN  68  -6.381 -17.947 -13.587
  451    HB2  ASN  68           HB2      ASN  68  -6.475 -15.149 -14.642
  452    HB3  ASN  68           HB1      ASN  68  -5.270 -16.403 -14.918
  453   HD21  ASN  68          HD21      ASN  68  -8.622 -15.520 -15.633
  454   HD22  ASN  68          HD22      ASN  68  -8.681 -16.287 -17.178
  455    H    ASP  69           HN       ASP  69  -8.444 -15.352 -12.557
  456    HA   ASP  69           HA       ASP  69  -8.495 -14.070 -10.686
  457    HB2  ASP  69           HB2      ASP  69  -6.660 -16.270  -9.849
  458    HB3  ASP  69           HB1      ASP  69  -6.899 -14.879  -8.800
  459    H    ASP  70           HN       ASP  70  -7.084 -12.766  -9.177
  460    HA   ASP  70           HA       ASP  70  -4.669 -11.869 -10.580
  461    HB2  ASP  70           HB2      ASP  70  -6.576 -10.242 -10.755
  462    HB3  ASP  70           HB1      ASP  70  -6.554 -10.117  -9.002
  463    H    TYR  71           HN       TYR  71  -2.984 -12.480  -9.412
  464    HA   TYR  71           HA       TYR  71  -3.218 -12.243  -6.491
  465    HB2  TYR  71           HB2      TYR  71  -2.047 -14.433  -8.162
  466    HB3  TYR  71           HB1      TYR  71  -1.590 -14.208  -6.474
  467    HD1  TYR  71           HD2      TYR  71  -3.407 -14.166  -4.761
  468    HD2  TYR  71           HD1      TYR  71  -4.026 -15.568  -8.711
  469    HE1  TYR  71           HE2      TYR  71  -5.388 -15.366  -3.989
  470    HE2  TYR  71           HE1      TYR  71  -6.029 -16.779  -7.987
  471    HH   TYR  71           HH       TYR  71  -7.677 -16.690  -6.146
  472    H    CYS  72           HN       CYS  72  -1.543 -11.586  -5.321
  473    HA   CYS  72           HA       CYS  72   0.353  -9.881  -6.547
  474    HB2  CYS  72           HB2      CYS  72  -0.654  -9.820  -4.155
  475    HB3  CYS  72           HB1      CYS  72   0.635 -10.954  -3.759
  476    H    THR  73           HN       THR  73   2.725 -10.081  -6.167
  477    HA   THR  73           HA       THR  73   3.593 -12.884  -6.406
  478    HB   THR  73           HB       THR  73   5.072 -12.346  -8.141
  479    HG1  THR  73           HG1      THR  73   6.036 -10.513  -7.345
  480   HG21  THR  73          HG21      THR  73   3.723 -11.718  -9.836
  481   HG22  THR  73          HG22      THR  73   3.113 -10.304  -8.976
  482   HG23  THR  73          HG23      THR  73   2.479 -11.908  -8.600
  483    H    GLY  74           HN       GLY  74   3.668 -10.313  -4.415
  484    HA2  GLY  74           HA2      GLY  74   5.001  -9.688  -2.661
  485    HA3  GLY  74           HA1      GLY  74   5.715 -11.288  -2.783
  486    H    LYS  75           HN       LYS  75   5.856  -9.100  -5.483
  487    HA   LYS  75           HA       LYS  75   8.593  -8.330  -4.795
  488    HB2  LYS  75           HB2      LYS  75   7.944  -9.445  -7.516
  489    HB3  LYS  75           HB1      LYS  75   9.527  -9.093  -6.838
  490    HG2  LYS  75           HG2      LYS  75   8.607 -10.906  -5.053
  491    HG3  LYS  75           HG1      LYS  75   7.824 -11.461  -6.534
  492    HD2  LYS  75           HD2      LYS  75  10.195 -11.168  -7.571
  493    HD3  LYS  75           HD1      LYS  75  10.736 -11.245  -5.893
  494    HE2  LYS  75           HE2      LYS  75  10.761 -13.443  -7.040
  495    HE3  LYS  75           HE1      LYS  75   9.729 -13.408  -5.611
  496    HZ1  LYS  75           HZ1      LYS  75   7.876 -13.692  -6.833
  497    HZ2  LYS  75           HZ2      LYS  75   8.944 -14.371  -7.954
  498    HZ3  LYS  75           HZ3      LYS  75   8.437 -12.768  -8.134
  499    H    SER  76           HN       SER  76   5.729  -7.149  -5.415
  500    HA   SER  76           HA       SER  76   6.712  -4.685  -6.426
  501    HB2  SER  76           HB2      SER  76   5.521  -4.605  -8.549
  502    HB3  SER  76           HB1      SER  76   6.643  -5.966  -8.544
  503    HG   SER  76           HG       SER  76   5.016  -7.285  -8.717
  504    H    SER  77           HN       SER  77   4.906  -3.119  -6.859
  505    HA   SER  77           HA       SER  77   2.883  -3.436  -4.789
  506    HB2  SER  77           HB2      SER  77   2.411  -1.011  -5.316
  507    HB3  SER  77           HB1      SER  77   4.049  -1.339  -4.754
  508    HG   SER  77           HG       SER  77   3.145  -0.653  -7.317
  509    H    ASP  78           HN       ASP  78   2.944  -4.585  -7.722
  510    HA   ASP  78           HA       ASP  78   0.176  -3.786  -8.348
  511    HB2  ASP  78           HB2      ASP  78   2.548  -4.210 -10.093
  512    HB3  ASP  78           HB1      ASP  78   0.990  -4.749 -10.713
  513    H    CYS  79           HN       CYS  79  -1.268  -5.373  -8.983
  514    HA   CYS  79           HA       CYS  79  -0.439  -8.150  -8.408
  515    HB2  CYS  79           HB2      CYS  79  -2.410  -6.570  -7.178
  516    HB3  CYS  79           HB1      CYS  79  -3.287  -7.716  -8.184
  517    HA   PRO  80           HA       PRO  80  -1.661  -8.470 -12.780
  518    HB2  PRO  80           HB2      PRO  80  -0.614 -10.935 -13.181
  519    HB3  PRO  80           HB1      PRO  80   0.377  -9.471 -13.166
  520    HG2  PRO  80           HG2      PRO  80  -0.074 -11.473 -10.983
  521    HG3  PRO  80           HG1      PRO  80   1.442 -10.718 -11.511
  522    HD2  PRO  80           HD2      PRO  80   0.080  -9.864  -9.336
  523    HD3  PRO  80           HD1      PRO  80   1.014  -8.762 -10.366
  524    H    TRP  81           HN       TRP  81  -3.617  -9.074 -13.441
  525    HA   TRP  81           HA       TRP  81  -5.078 -11.108 -11.959
  526    HB2  TRP  81           HB2      TRP  81  -7.077 -10.271 -13.101
  527    HB3  TRP  81           HB1      TRP  81  -6.223  -9.008 -12.232
  528    HD1  TRP  81           HD1      TRP  81  -4.115  -9.025 -15.047
  529    HE1  TRP  81           HE1      TRP  81  -4.924  -7.447 -16.910
  530    HE3  TRP  81           HE3      TRP  81  -8.937  -8.471 -13.564
  531    HZ2  TRP  81           HZ2      TRP  81  -7.318  -6.135 -17.640
  532    HZ3  TRP  81           HZ3      TRP  81 -10.447  -7.040 -14.891
  533    HH2  TRP  81           HH2      TRP  81  -9.646  -5.897 -16.897
  534    H    ASN  82           HN       ASN  82  -3.419 -10.817 -14.833
  535    HA   ASN  82           HA       ASN  82  -3.081 -12.178 -16.623
  536    HB2  ASN  82           HB2      ASN  82  -4.176 -14.034 -14.555
  537    HB3  ASN  82           HB1      ASN  82  -4.022 -14.622 -16.208
  538   HD21  ASN  82          HD21      ASN  82  -2.463 -14.161 -13.291
  539   HD22  ASN  82          HD22      ASN  82  -0.839 -14.432 -13.815
  540    H    HIS  83           HN       HIS  83  -5.276 -10.491 -16.781
  541    HA   HIS  83           HA       HIS  83  -7.067 -12.084 -18.477
  542    HB2  HIS  83           HB2      HIS  83  -8.051  -9.849 -16.702
  543    HB3  HIS  83           HB1      HIS  83  -9.018 -10.973 -17.652
  544    HD1  HIS  83           HD1      HIS  83  -8.755 -10.415 -14.372
  545    HD2  HIS  83           HD2      HIS  83  -7.738 -13.781 -16.582
  546    HE1  HIS  83           HE1      HIS  83  -8.771 -12.323 -12.736
  547    HE2  HIS  83           HE2      HIS  83  -8.212 -14.358 -14.109
  Start of MODEL   18
    1    H1   SER   1           HT1      SER   1  -4.242  14.967  18.500
    2    H2   SER   1           HT2      SER   1  -3.995  15.654  16.947
    3    H3   SER   1           HT3      SER   1  -5.507  15.835  17.737
    4    HA   SER   1           HA       SER   1  -4.703  17.801  18.254
    5    HB2  SER   1           HB2      SER   1  -4.893  17.168  20.440
    6    HB3  SER   1           HB1      SER   1  -3.825  15.781  20.242
    7    HG   SER   1           HG       SER   1  -3.172  17.885  21.464
    8    HA   PRO   2           HA       PRO   2   0.259  17.381  18.205
    9    HB2  PRO   2           HB2      PRO   2   0.221  14.958  16.465
   10    HB3  PRO   2           HB1      PRO   2   1.402  15.446  17.682
   11    HG2  PRO   2           HG2      PRO   2  -0.371  13.535  18.207
   12    HG3  PRO   2           HG1      PRO   2   0.080  14.723  19.445
   13    HD2  PRO   2           HD2      PRO   2  -2.413  14.523  17.826
   14    HD3  PRO   2           HD1      PRO   2  -2.187  15.097  19.489
   15    HA   PRO   3           HA       PRO   3   0.275  19.258  14.204
   16    HB2  PRO   3           HB2      PRO   3   2.859  19.314  13.522
   17    HB3  PRO   3           HB1      PRO   3   2.250  20.220  14.913
   18    HG2  PRO   3           HG2      PRO   3   3.684  17.594  14.843
   19    HG3  PRO   3           HG1      PRO   3   3.907  18.961  15.949
   20    HD2  PRO   3           HD2      PRO   3   2.447  16.718  16.557
   21    HD3  PRO   3           HD1      PRO   3   2.175  18.309  17.295
   22    H    VAL   4           HN       VAL   4  -0.330  18.687  12.291
   23    HA   VAL   4           HA       VAL   4   0.133  16.095  11.252
   24    HB   VAL   4           HB       VAL   4  -0.970  18.110   9.426
   25   HG11  VAL   4          HG11      VAL   4  -1.665  15.369  10.382
   26   HG12  VAL   4          HG12      VAL   4  -1.302  15.930   8.752
   27   HG13  VAL   4          HG13      VAL   4  -2.851  16.325   9.495
   28   HG21  VAL   4          HG21      VAL   4  -3.197  18.040  10.727
   29   HG22  VAL   4          HG22      VAL   4  -1.956  19.186  11.236
   30   HG23  VAL   4          HG23      VAL   4  -2.187  17.682  12.128
   31    H    CYS   5           HN       CYS   5   2.346  15.952  10.914
   32    HA   CYS   5           HA       CYS   5   3.846  17.930   9.538
   33    HB2  CYS   5           HB2      CYS   5   4.984  15.269   9.213
   34    HB3  CYS   5           HB1      CYS   5   5.638  16.666  10.049
   35    H    GLY   6           HN       GLY   6   3.005  18.516   7.626
   36    HA2  GLY   6           HA2      GLY   6   3.114  18.294   5.271
   37    HA3  GLY   6           HA1      GLY   6   3.153  16.547   5.464
   38    H    ASN   7           HN       ASN   7   0.834  18.141   7.397
   39    HA   ASN   7           HA       ASN   7  -1.436  18.190   7.398
   40    HB2  ASN   7           HB2      ASN   7  -0.732  18.733   4.562
   41    HB3  ASN   7           HB1      ASN   7  -2.397  18.246   4.870
   42   HD21  ASN   7          HD21      ASN   7  -3.419  20.132   4.546
   43   HD22  ASN   7          HD22      ASN   7  -3.146  21.567   5.468
   44    H    LYS   8           HN       LYS   8  -3.008  16.680   7.604
   45    HA   LYS   8           HA       LYS   8  -2.498  14.009   7.426
   46    HB2  LYS   8           HB2      LYS   8  -4.542  15.323   8.424
   47    HB3  LYS   8           HB1      LYS   8  -5.292  14.933   6.882
   48    HG2  LYS   8           HG2      LYS   8  -4.229  12.993   8.922
   49    HG3  LYS   8           HG1      LYS   8  -5.917  13.280   8.498
   50    HD2  LYS   8           HD2      LYS   8  -5.077  12.631   6.086
   51    HD3  LYS   8           HD1      LYS   8  -3.795  11.820   6.989
   52    HE2  LYS   8           HE2      LYS   8  -5.406  10.510   8.200
   53    HE3  LYS   8           HE1      LYS   8  -6.741  11.412   7.483
   54    HZ1  LYS   8           HZ1      LYS   8  -5.657  10.563   5.279
   55    HZ2  LYS   8           HZ2      LYS   8  -6.705   9.571   6.160
   56    HZ3  LYS   8           HZ3      LYS   8  -5.032   9.354   6.284
   57    H    ILE   9           HN       ILE   9  -1.667  13.084   5.645
   58    HA   ILE   9           HA       ILE   9  -2.019  13.705   3.017
   59    HB   ILE   9           HB       ILE   9  -1.931  11.129   2.546
   60   HG12  ILE   9          HG12      ILE   9  -0.598  10.176   4.626
   61   HG13  ILE   9          HG11      ILE   9  -1.620  11.298   5.508
   62   HG21  ILE   9          HG21      ILE   9  -0.030  13.148   3.032
   63   HG22  ILE   9          HG22      ILE   9   0.153  11.692   2.063
   64   HG23  ILE   9          HG23      ILE   9   0.586  11.670   3.767
   65   HD11  ILE   9          HD11      ILE   9  -2.752   9.302   3.590
   66   HD12  ILE   9          HD12      ILE   9  -3.573  10.185   4.874
   67   HD13  ILE   9          HD13      ILE   9  -2.428   8.908   5.275
   68    H    LEU  10           HN       LEU  10  -3.598  13.768   1.605
   69    HA   LEU  10           HA       LEU  10  -6.216  12.899   2.426
   70    HB2  LEU  10           HB2      LEU  10  -6.912  14.028   0.261
   71    HB3  LEU  10           HB1      LEU  10  -6.229  15.042   1.517
   72    HG   LEU  10           HG       LEU  10  -5.517  15.373  -0.963
   73   HD11  LEU  10          HD11      LEU  10  -4.119  15.688   1.555
   74   HD12  LEU  10          HD12      LEU  10  -4.280  16.804   0.199
   75   HD13  LEU  10          HD13      LEU  10  -3.017  15.575   0.182
   76   HD21  LEU  10          HD21      LEU  10  -3.770  13.057  -0.155
   77   HD22  LEU  10          HD22      LEU  10  -3.437  14.131  -1.512
   78   HD23  LEU  10          HD23      LEU  10  -4.890  13.132  -1.514
   79    H    GLU  11           HN       GLU  11  -3.921  11.126   1.250
   80    HA   GLU  11           HA       GLU  11  -5.564   9.098   0.288
   81    HB2  GLU  11           HB2      GLU  11  -5.066   9.099  -2.118
   82    HB3  GLU  11           HB1      GLU  11  -5.983  10.517  -1.634
   83    HG2  GLU  11           HG2      GLU  11  -4.471  11.668  -2.790
   84    HG3  GLU  11           HG1      GLU  11  -3.411  11.400  -1.407
   85    H    GLN  12           HN       GLN  12  -2.988   9.603   1.817
   86    HA   GLN  12           HA       GLN  12  -1.733   7.190   1.094
   87    HB2  GLN  12           HB2      GLN  12   0.328   7.935   0.147
   88    HB3  GLN  12           HB1      GLN  12  -0.990   8.569  -0.818
   89    HG2  GLN  12           HG2      GLN  12  -0.685  10.667   0.736
   90    HG3  GLN  12           HG1      GLN  12   0.940  10.007   0.939
   91   HE21  GLN  12          HE21      GLN  12  -1.003  11.968  -0.917
   92   HE22  GLN  12          HE22      GLN  12  -0.009  12.083  -2.325
   93    H    GLY  13           HN       GLY  13  -1.727   6.717   3.263
   94    HA2  GLY  13           HA2      GLY  13  -0.260   8.461   5.104
   95    HA3  GLY  13           HA1      GLY  13  -1.226   7.063   5.550
   96    H    GLU  14           HN       GLU  14   1.192   7.186   3.041
   97    HA   GLU  14           HA       GLU  14   3.483   6.299   4.271
   98    HB2  GLU  14           HB2      GLU  14   1.601   4.301   4.545
   99    HB3  GLU  14           HB1      GLU  14   2.429   3.822   3.074
  100    HG2  GLU  14           HG2      GLU  14   4.379   3.384   4.146
  101    HG3  GLU  14           HG1      GLU  14   4.094   4.595   5.394
  102    H    ASP  15           HN       ASP  15   3.262   7.967   2.471
  103    HA   ASP  15           HA       ASP  15   4.413   6.818   0.080
  104    HB2  ASP  15           HB2      ASP  15   1.910   6.883  -0.269
  105    HB3  ASP  15           HB1      ASP  15   1.998   8.633  -0.091
  106    H    CYS  16           HN       CYS  16   3.186   9.702   1.719
  107    HA   CYS  16           HA       CYS  16   5.454  11.086   2.066
  108    HB2  CYS  16           HB2      CYS  16   6.184  11.149  -0.124
  109    HB3  CYS  16           HB1      CYS  16   4.556  11.296  -0.773
  110    H    ASP  17           HN       ASP  17   4.917  12.610   3.390
  111    HA   ASP  17           HA       ASP  17   3.937  14.469   4.275
  112    HB2  ASP  17           HB2      ASP  17   2.989  14.569   1.632
  113    HB3  ASP  17           HB1      ASP  17   1.560  14.731   2.649
  114    H    CYS  18           HN       CYS  18   3.389  11.760   5.018
  115    HA   CYS  18           HA       CYS  18   0.905  10.870   5.421
  116    HB2  CYS  18           HB2      CYS  18   3.336  10.494   6.751
  117    HB3  CYS  18           HB1      CYS  18   2.176  10.891   8.021
  118    H    GLY  19           HN       GLY  19   2.240  13.721   6.978
  119    HA2  GLY  19           HA2      GLY  19   1.208  15.417   8.148
  120    HA3  GLY  19           HA1      GLY  19  -0.282  14.869   7.410
  121    H    SER  20           HN       SER  20  -1.179  12.784   8.420
  122    HA   SER  20           HA       SER  20  -1.919  13.328  10.991
  123    HB2  SER  20           HB2      SER  20  -2.998  11.280  11.039
  124    HB3  SER  20           HB1      SER  20  -2.873  11.619   9.315
  125    HG   SER  20           HG       SER  20  -1.269  10.141   9.127
  126    HA   PRO  21           HA       PRO  21   2.071  12.764  12.950
  127    HB2  PRO  21           HB2      PRO  21   0.877  13.259  15.463
  128    HB3  PRO  21           HB1      PRO  21   1.756  14.412  14.458
  129    HG2  PRO  21           HG2      PRO  21  -1.162  14.022  14.774
  130    HG3  PRO  21           HG1      PRO  21  -0.258  15.487  14.354
  131    HD2  PRO  21           HD2      PRO  21  -1.703  14.092  12.547
  132    HD3  PRO  21           HD1      PRO  21  -0.233  14.973  12.120
  133    H    ALA  22           HN       ALA  22  -0.973  11.219  13.731
  134    HA   ALA  22           HA       ALA  22  -0.168   9.395  15.661
  135    HB1  ALA  22           HB1      ALA  22  -2.407   9.210  15.345
  136    HB2  ALA  22           HB2      ALA  22  -1.909   7.887  14.291
  137    HB3  ALA  22           HB3      ALA  22  -2.293   9.465  13.603
  138    H    ASN  23           HN       ASN  23   0.592   9.570  12.298
  139    HA   ASN  23           HA       ASN  23   1.983   6.982  12.447
  140    HB2  ASN  23           HB2      ASN  23   1.097   8.390   9.924
  141    HB3  ASN  23           HB1      ASN  23   1.685   6.736  10.084
  142   HD21  ASN  23          HD21      ASN  23  -0.554   6.906   8.790
  143   HD22  ASN  23          HD22      ASN  23  -1.918   6.456   9.750
  144    H    CYS  24           HN       CYS  24   2.318  10.380  12.011
  145    HA   CYS  24           HA       CYS  24   4.629  10.610  10.493
  146    HB2  CYS  24           HB2      CYS  24   3.164  12.479  11.369
  147    HB3  CYS  24           HB1      CYS  24   3.980  12.299  12.916
  148    H    GLN  25           HN       GLN  25   6.212   9.126  10.853
  149    HA   GLN  25           HA       GLN  25   8.032   8.160  11.812
  150    HB2  GLN  25           HB2      GLN  25   7.826  10.709  13.386
  151    HB3  GLN  25           HB1      GLN  25   9.040   9.504  13.795
  152    HG2  GLN  25           HG2      GLN  25   9.856   9.631  11.446
  153    HG3  GLN  25           HG1      GLN  25   8.735  10.967  11.185
  154   HE21  GLN  25          HE21      GLN  25  10.658  12.178  10.651
  155   HE22  GLN  25          HE22      GLN  25  11.601  12.880  11.917
  156    H    ASP  26           HN       ASP  26   5.453   7.294  12.618
  157    HA   ASP  26           HA       ASP  26   6.111   6.245  15.281
  158    HB2  ASP  26           HB2      ASP  26   4.268   8.128  15.140
  159    HB3  ASP  26           HB1      ASP  26   3.250   6.794  14.604
  160    H    ARG  27           HN       ARG  27   3.609   5.864  12.755
  161    HA   ARG  27           HA       ARG  27   3.420   3.052  13.224
  162    HB2  ARG  27           HB2      ARG  27   1.455   4.244  12.504
  163    HB3  ARG  27           HB1      ARG  27   2.271   4.811  11.054
  164    HG2  ARG  27           HG2      ARG  27   1.997   2.844   9.961
  165    HG3  ARG  27           HG1      ARG  27   2.098   1.882  11.437
  166    HD2  ARG  27           HD2      ARG  27  -0.136   2.321  12.007
  167    HD3  ARG  27           HD1      ARG  27  -0.249   3.665  10.872
  168    HE   ARG  27           HE       ARG  27  -0.758   2.175   9.213
  169   HH11  ARG  27          HH11      ARG  27   0.584   0.428  11.919
  170   HH12  ARG  27          HH12      ARG  27   0.231  -1.129  11.250
  171   HH21  ARG  27          HH21      ARG  27  -1.224   0.128   8.331
  172   HH22  ARG  27          HH22      ARG  27  -0.795  -1.300   9.212
  173    H    CYS  28           HN       CYS  28   3.603   4.030   9.882
  174    HA   CYS  28           HA       CYS  28   6.288   2.969   9.576
  175    HB2  CYS  28           HB2      CYS  28   4.371   1.753   7.682
  176    HB3  CYS  28           HB1      CYS  28   5.805   1.065   8.429
  177    H    CYS  29           HN       CYS  29   5.116   5.562   9.204
  178    HA   CYS  29           HA       CYS  29   5.760   5.896   6.364
  179    HB2  CYS  29           HB2      CYS  29   3.888   7.284   5.911
  180    HB3  CYS  29           HB1      CYS  29   3.255   5.842   6.698
  181    H    ASN  30           HN       ASN  30   6.200   8.121   5.763
  182    HA   ASN  30           HA       ASN  30   7.458   9.613   7.964
  183    HB2  ASN  30           HB2      ASN  30   8.288   9.123   5.126
  184    HB3  ASN  30           HB1      ASN  30   8.813  10.575   5.952
  185   HD21  ASN  30          HD21      ASN  30   9.196   9.655   8.479
  186   HD22  ASN  30          HD22      ASN  30  10.484   8.506   8.502
  187    H    ALA  31           HN       ALA  31   5.902  10.979   8.497
  188    HA   ALA  31           HA       ALA  31   4.439  12.491   6.513
  189    HB1  ALA  31           HB1      ALA  31   4.206  11.981   9.352
  190    HB2  ALA  31           HB2      ALA  31   2.983  12.527   8.215
  191    HB3  ALA  31           HB3      ALA  31   4.036  13.696   8.999
  192    H    ALA  32           HN       ALA  32   7.297  12.710   8.391
  193    HA   ALA  32           HA       ALA  32   7.638  15.560   7.743
  194    HB1  ALA  32           HB1      ALA  32   7.919  14.680  10.123
  195    HB2  ALA  32           HB2      ALA  32   9.210  15.697   9.481
  196    HB3  ALA  32           HB3      ALA  32   9.416  13.946   9.546
  197    H    THR  33           HN       THR  33   8.276  12.670   6.350
  198    HA   THR  33           HA       THR  33  10.778  13.669   5.176
  199    HB   THR  33           HB       THR  33  10.588  10.779   5.124
  200    HG1  THR  33           HG1      THR  33  11.109  10.780   7.512
  201   HG21  THR  33          HG21      THR  33  12.615  12.339   4.885
  202   HG22  THR  33          HG22      THR  33  12.786  10.828   5.779
  203   HG23  THR  33          HG23      THR  33  12.599  12.351   6.649
  204    H    CYS  34           HN       CYS  34   7.718  13.339   4.432
  205    HA   CYS  34           HA       CYS  34   6.491  12.878   2.568
  206    HB2  CYS  34           HB2      CYS  34   7.621  14.807   1.771
  207    HB3  CYS  34           HB1      CYS  34   9.088  13.900   1.435
  208    H    LYS  35           HN       LYS  35   7.232  10.485   3.528
  209    HA   LYS  35           HA       LYS  35   7.123   8.834   1.256
  210    HB2  LYS  35           HB2      LYS  35   9.798   9.487   2.211
  211    HB3  LYS  35           HB1      LYS  35   9.486   7.757   2.155
  212    HG2  LYS  35           HG2      LYS  35   8.604   9.190  -0.230
  213    HG3  LYS  35           HG1      LYS  35  10.343   9.275   0.059
  214    HD2  LYS  35           HD2      LYS  35   8.964   6.643   0.297
  215    HD3  LYS  35           HD1      LYS  35   9.293   7.291  -1.311
  216    HE2  LYS  35           HE2      LYS  35  11.305   6.339  -1.098
  217    HE3  LYS  35           HE1      LYS  35  11.677   7.679  -0.014
  218    HZ1  LYS  35           HZ1      LYS  35  11.915   5.136   0.686
  219    HZ2  LYS  35           HZ2      LYS  35  10.318   5.401   1.177
  220    HZ3  LYS  35           HZ3      LYS  35  11.563   6.364   1.796
  221    H    LEU  36           HN       LEU  36   7.818   6.465   1.954
  222    HA   LEU  36           HA       LEU  36   6.241   5.903   4.318
  223    HB2  LEU  36           HB2      LEU  36   7.790   3.807   2.846
  224    HB3  LEU  36           HB1      LEU  36   6.259   3.666   3.684
  225    HG   LEU  36           HG       LEU  36   5.481   5.301   1.724
  226   HD11  LEU  36          HD11      LEU  36   8.071   4.775   0.943
  227   HD12  LEU  36          HD12      LEU  36   6.773   5.371  -0.092
  228   HD13  LEU  36          HD13      LEU  36   7.116   3.643  -0.015
  229   HD21  LEU  36          HD21      LEU  36   4.826   3.211   0.479
  230   HD22  LEU  36          HD22      LEU  36   4.372   3.250   2.184
  231   HD23  LEU  36          HD23      LEU  36   5.768   2.305   1.664
  232    H    THR  37           HN       THR  37   7.433   3.786   5.542
  233    HA   THR  37           HA       THR  37   9.869   5.026   6.619
  234    HB   THR  37           HB       THR  37   9.490   3.432   8.548
  235    HG1  THR  37           HG1      THR  37   7.846   2.142   8.499
  236   HG21  THR  37          HG21      THR  37   8.870   5.553   9.119
  237   HG22  THR  37          HG22      THR  37   7.348   4.683   9.313
  238   HG23  THR  37          HG23      THR  37   7.634   5.650   7.865
  239    HA   PRO  38           HA       PRO  38  12.850   2.076   5.340
  240    HB2  PRO  38           HB2      PRO  38  13.127   1.444   8.257
  241    HB3  PRO  38           HB1      PRO  38  14.388   1.747   7.054
  242    HG2  PRO  38           HG2      PRO  38  13.716   3.647   8.767
  243    HG3  PRO  38           HG1      PRO  38  14.017   4.049   7.065
  244    HD2  PRO  38           HD2      PRO  38  11.436   3.853   8.540
  245    HD3  PRO  38           HD1      PRO  38  11.895   4.926   7.202
  246    H    GLY  39           HN       GLY  39  12.139   0.266   4.372
  247    HA2  GLY  39           HA2      GLY  39  11.758  -2.060   4.362
  248    HA3  GLY  39           HA1      GLY  39  11.293  -1.969   6.054
  249    H    SER  40           HN       SER  40   9.428   0.225   5.680
  250    HA   SER  40           HA       SER  40   7.086  -1.220   5.195
  251    HB2  SER  40           HB2      SER  40   7.038   0.791   6.542
  252    HB3  SER  40           HB1      SER  40   7.568   1.768   5.173
  253    HG   SER  40           HG       SER  40   5.141   0.299   5.282
  254    H    GLN  41           HN       GLN  41   5.865  -1.588   3.430
  255    HA   GLN  41           HA       GLN  41   6.982  -0.775   0.855
  256    HB2  GLN  41           HB2      GLN  41   4.783  -2.762   1.451
  257    HB3  GLN  41           HB1      GLN  41   5.553  -2.501  -0.108
  258    HG2  GLN  41           HG2      GLN  41   6.817  -3.625   2.378
  259    HG3  GLN  41           HG1      GLN  41   6.450  -4.482   0.882
  260   HE21  GLN  41          HE21      GLN  41   7.431  -3.197  -1.095
  261   HE22  GLN  41          HE22      GLN  41   9.110  -2.830  -0.924
  262    H    CYS  42           HN       CYS  42   3.819  -0.870   2.493
  263    HA   CYS  42           HA       CYS  42   3.068   1.688   1.499
  264    HB2  CYS  42           HB2      CYS  42   1.253   1.020   0.024
  265    HB3  CYS  42           HB1      CYS  42   2.775   0.368  -0.571
  266    H    ASN  43           HN       ASN  43   0.778   2.209   2.041
  267    HA   ASN  43           HA       ASN  43  -0.041   0.729   4.446
  268    HB2  ASN  43           HB2      ASN  43   0.487   2.956   5.079
  269    HB3  ASN  43           HB1      ASN  43  -0.359   3.635   3.692
  270   HD21  ASN  43          HD21      ASN  43  -0.559   2.756   6.939
  271   HD22  ASN  43          HD22      ASN  43  -2.255   3.000   7.161
  272    H    TYR  44           HN       TYR  44  -0.955   1.788   1.297
  273    HA   TYR  44           HA       TYR  44  -3.479   0.340   1.541
  274    HB2  TYR  44           HB2      TYR  44  -4.839   2.068   0.734
  275    HB3  TYR  44           HB1      TYR  44  -3.781   2.890   1.875
  276    HD1  TYR  44           HD2      TYR  44  -4.363   2.250  -1.724
  277    HD2  TYR  44           HD1      TYR  44  -2.354   4.646   1.161
  278    HE1  TYR  44           HE2      TYR  44  -3.692   3.811  -3.498
  279    HE2  TYR  44           HE1      TYR  44  -1.674   6.214  -0.606
  280    HH   TYR  44           HH       TYR  44  -1.334   5.859  -3.352
  281    H    GLY  45           HN       GLY  45  -4.360  -0.326  -0.533
  282    HA2  GLY  45           HA2      GLY  45  -3.750   0.003  -3.045
  283    HA3  GLY  45           HA1      GLY  45  -2.222  -0.680  -2.512
  284    H    GLU  46           HN       GLU  46  -3.682  -1.896  -4.498
  285    HA   GLU  46           HA       GLU  46  -5.453  -3.900  -3.612
  286    HB2  GLU  46           HB2      GLU  46  -3.888  -3.359  -6.074
  287    HB3  GLU  46           HB1      GLU  46  -4.427  -5.016  -5.834
  288    HG2  GLU  46           HG2      GLU  46  -5.980  -3.670  -7.191
  289    HG3  GLU  46           HG1      GLU  46  -6.718  -4.321  -5.728
  290    H    CYS  47           HN       CYS  47  -1.976  -3.709  -3.781
  291    HA   CYS  47           HA       CYS  47  -1.782  -6.468  -2.772
  292    HB2  CYS  47           HB2      CYS  47  -0.636  -5.819  -4.977
  293    HB3  CYS  47           HB1      CYS  47   0.483  -4.892  -3.984
  294    H    CYS  48           HN       CYS  48  -2.386  -4.137  -1.148
  295    HA   CYS  48           HA       CYS  48   0.085  -3.733   0.364
  296    HB2  CYS  48           HB2      CYS  48  -1.816  -1.952  -0.370
  297    HB3  CYS  48           HB1      CYS  48  -2.407  -2.396   1.227
  298    H    ASP  49           HN       ASP  49   0.097  -3.976   2.679
  299    HA   ASP  49           HA       ASP  49  -2.012  -5.187   4.107
  300    HB2  ASP  49           HB2      ASP  49  -0.726  -6.995   2.467
  301    HB3  ASP  49           HB1      ASP  49   0.078  -7.230   4.015
  302    H    GLN  50           HN       GLN  50  -1.613  -3.984   5.841
  303    HA   GLN  50           HA       GLN  50  -0.508  -2.967   7.575
  304    HB2  GLN  50           HB2      GLN  50   0.121  -5.875   7.678
  305    HB3  GLN  50           HB1      GLN  50   0.939  -4.812   8.815
  306    HG2  GLN  50           HG2      GLN  50  -1.533  -3.946   9.206
  307    HG3  GLN  50           HG1      GLN  50  -1.919  -5.571   8.639
  308   HE21  GLN  50          HE21      GLN  50   0.236  -6.964   9.678
  309   HE22  GLN  50          HE22      GLN  50   0.127  -6.967  11.402
  310    H    CYS  51           HN       CYS  51   0.794  -1.593   6.178
  311    HA   CYS  51           HA       CYS  51   2.748  -0.704   5.387
  312    HB2  CYS  51           HB2      CYS  51   4.030  -1.992   7.788
  313    HB3  CYS  51           HB1      CYS  51   4.427  -0.453   7.032
  314    H    ARG  52           HN       ARG  52   2.169  -3.448   4.462
  315    HA   ARG  52           HA       ARG  52   4.756  -3.989   3.319
  316    HB2  ARG  52           HB2      ARG  52   3.682  -5.632   5.514
  317    HB3  ARG  52           HB1      ARG  52   4.209  -6.546   4.108
  318    HG2  ARG  52           HG2      ARG  52   6.076  -4.471   5.032
  319    HG3  ARG  52           HG1      ARG  52   5.822  -5.821   6.140
  320    HD2  ARG  52           HD2      ARG  52   6.693  -7.365   4.673
  321    HD3  ARG  52           HD1      ARG  52   6.318  -6.386   3.255
  322    HE   ARG  52           HE       ARG  52   8.245  -5.055   4.803
  323   HH11  ARG  52          HH11      ARG  52   7.922  -7.884   2.785
  324   HH12  ARG  52          HH12      ARG  52   9.587  -7.888   2.309
  325   HH21  ARG  52          HH21      ARG  52  10.435  -5.058   4.177
  326   HH22  ARG  52          HH22      ARG  52  11.014  -6.284   3.099
  327    H    PHE  53           HN       PHE  53   4.636  -5.135   1.404
  328    HA   PHE  53           HA       PHE  53   2.116  -5.164   0.102
  329    HB2  PHE  53           HB2      PHE  53   4.842  -6.189  -0.665
  330    HB3  PHE  53           HB1      PHE  53   3.441  -6.447  -1.699
  331    HD1  PHE  53           HD1      PHE  53   2.066  -3.813  -1.213
  332    HD2  PHE  53           HD2      PHE  53   6.127  -4.786  -2.028
  333    HE1  PHE  53           HE1      PHE  53   2.387  -1.602  -2.218
  334    HE2  PHE  53           HE2      PHE  53   6.459  -2.564  -3.031
  335    HZ   PHE  53           HZ       PHE  53   4.587  -0.966  -3.128
  336    H    LYS  54           HN       LYS  54   0.827  -6.870  -0.562
  337    HA   LYS  54           HA       LYS  54   0.725  -9.109   1.182
  338    HB2  LYS  54           HB2      LYS  54  -0.865  -8.016  -0.994
  339    HB3  LYS  54           HB1      LYS  54  -0.784  -9.770  -1.073
  340    HG2  LYS  54           HG2      LYS  54  -1.966 -10.052   0.843
  341    HG3  LYS  54           HG1      LYS  54  -1.377  -8.551   1.557
  342    HD2  LYS  54           HD2      LYS  54  -2.884  -7.242   0.299
  343    HD3  LYS  54           HD1      LYS  54  -3.266  -8.584  -0.781
  344    HE2  LYS  54           HE2      LYS  54  -3.970  -9.637   1.613
  345    HE3  LYS  54           HE1      LYS  54  -4.327  -7.932   1.885
  346    HZ1  LYS  54           HZ1      LYS  54  -5.620  -9.838   0.114
  347    HZ2  LYS  54           HZ2      LYS  54  -5.421  -8.278  -0.507
  348    HZ3  LYS  54           HZ3      LYS  54  -6.269  -8.510   0.937
  349    H    LYS  55           HN       LYS  55   2.168 -10.701   1.140
  350    HA   LYS  55           HA       LYS  55   4.120 -11.286  -0.595
  351    HB2  LYS  55           HB2      LYS  55   3.721 -12.459   1.554
  352    HB3  LYS  55           HB1      LYS  55   2.454 -13.400   0.778
  353    HG2  LYS  55           HG2      LYS  55   4.165 -14.263  -0.814
  354    HG3  LYS  55           HG1      LYS  55   5.395 -13.437   0.145
  355    HD2  LYS  55           HD2      LYS  55   5.107 -14.844   1.963
  356    HD3  LYS  55           HD1      LYS  55   3.479 -15.314   1.469
  357    HE2  LYS  55           HE2      LYS  55   4.224 -16.945   0.097
  358    HE3  LYS  55           HE1      LYS  55   5.635 -16.018  -0.410
  359    HZ1  LYS  55           HZ1      LYS  55   6.877 -16.776   1.336
  360    HZ2  LYS  55           HZ2      LYS  55   5.900 -18.130   1.065
  361    HZ3  LYS  55           HZ3      LYS  55   5.538 -17.066   2.329
  362    H    ALA  56           HN       ALA  56   4.364 -11.975  -2.614
  363    HA   ALA  56           HA       ALA  56   2.467 -12.096  -4.515
  364    HB1  ALA  56           HB1      ALA  56   4.574 -12.214  -5.403
  365    HB2  ALA  56           HB2      ALA  56   4.027 -13.875  -5.636
  366    HB3  ALA  56           HB3      ALA  56   5.093 -13.477  -4.286
  367    H    GLY  57           HN       GLY  57   0.992 -13.483  -5.287
  368    HA2  GLY  57           HA2      GLY  57   0.161 -15.764  -5.558
  369    HA3  GLY  57           HA1      GLY  57   0.789 -16.117  -3.952
  370    H    THR  58           HN       THR  58  -0.255 -13.253  -3.304
  371    HA   THR  58           HA       THR  58  -2.784 -14.145  -2.253
  372    HB   THR  58           HB       THR  58  -1.402 -11.449  -2.186
  373    HG1  THR  58           HG1      THR  58  -1.589 -13.597  -0.357
  374   HG21  THR  58          HG21      THR  58  -3.146 -10.528  -1.205
  375   HG22  THR  58          HG22      THR  58  -3.298 -11.879  -0.079
  376   HG23  THR  58          HG23      THR  58  -4.084 -11.955  -1.659
  377    H    VAL  59           HN       VAL  59  -4.514 -14.243  -3.557
  378    HA   VAL  59           HA       VAL  59  -4.690 -12.846  -6.005
  379    HB   VAL  59           HB       VAL  59  -5.859 -14.975  -5.642
  380   HG11  VAL  59          HG11      VAL  59  -7.618 -15.287  -4.173
  381   HG12  VAL  59          HG12      VAL  59  -7.943 -13.559  -4.034
  382   HG13  VAL  59          HG13      VAL  59  -6.528 -14.256  -3.246
  383   HG21  VAL  59          HG21      VAL  59  -7.093 -12.572  -6.722
  384   HG22  VAL  59          HG22      VAL  59  -8.270 -13.804  -6.270
  385   HG23  VAL  59          HG23      VAL  59  -6.980 -14.193  -7.406
  386    H    CYS  60           HN       CYS  60  -5.207 -10.797  -6.365
  387    HA   CYS  60           HA       CYS  60  -6.745  -9.349  -4.311
  388    HB2  CYS  60           HB2      CYS  60  -5.196  -8.015  -6.509
  389    HB3  CYS  60           HB1      CYS  60  -5.689  -7.357  -4.954
  390    H    ARG  61           HN       ARG  61  -6.831 -10.477  -7.552
  391    HA   ARG  61           HA       ARG  61  -9.497  -9.392  -7.896
  392    HB2  ARG  61           HB2      ARG  61  -7.237  -8.135  -9.103
  393    HB3  ARG  61           HB1      ARG  61  -8.181  -8.895 -10.377
  394    HG2  ARG  61           HG2      ARG  61 -10.154  -7.706  -9.003
  395    HG3  ARG  61           HG1      ARG  61  -8.829  -6.602  -8.642
  396    HD2  ARG  61           HD2      ARG  61 -10.115  -7.247 -11.258
  397    HD3  ARG  61           HD1      ARG  61  -9.702  -5.679 -10.570
  398    HE   ARG  61           HE       ARG  61  -8.117  -7.189 -12.334
  399   HH11  ARG  61          HH11      ARG  61  -7.825  -5.228  -9.458
  400   HH12  ARG  61          HH12      ARG  61  -6.174  -4.809  -9.764
  401   HH21  ARG  61          HH21      ARG  61  -5.949  -6.642 -12.732
  402   HH22  ARG  61          HH22      ARG  61  -5.110  -5.607 -11.624
  403    H    ILE  62           HN       ILE  62 -10.172 -10.020 -10.328
  404    HA   ILE  62           HA       ILE  62  -9.131 -12.289 -11.547
  405    HB   ILE  62           HB       ILE  62  -9.708 -13.536  -9.560
  406   HG12  ILE  62          HG12      ILE  62 -11.267 -15.201 -10.531
  407   HG13  ILE  62          HG11      ILE  62 -11.679 -14.050 -11.798
  408   HG21  ILE  62          HG21      ILE  62 -11.599 -11.797  -9.033
  409   HG22  ILE  62          HG22      ILE  62 -11.707 -13.456  -8.443
  410   HG23  ILE  62          HG23      ILE  62 -12.611 -12.968  -9.880
  411   HD11  ILE  62          HD11      ILE  62 -10.130 -15.556 -12.729
  412   HD12  ILE  62          HD12      ILE  62  -9.058 -15.433 -11.334
  413   HD13  ILE  62          HD13      ILE  62  -9.241 -14.063 -12.429
  414    H    ALA  63           HN       ALA  63 -10.093 -12.555 -13.470
  415    HA   ALA  63           HA       ALA  63 -11.972 -10.655 -14.328
  416    HB1  ALA  63           HB1      ALA  63 -10.340 -12.650 -15.543
  417    HB2  ALA  63           HB2      ALA  63 -11.087 -11.228 -16.267
  418    HB3  ALA  63           HB3      ALA  63 -11.972 -12.749 -16.206
  419    H    ARG  64           HN       ARG  64 -12.771 -13.950 -15.213
  420    HA   ARG  64           HA       ARG  64 -15.124 -13.903 -13.488
  421    HB2  ARG  64           HB2      ARG  64 -15.716 -12.841 -15.689
  422    HB3  ARG  64           HB1      ARG  64 -15.360 -14.382 -16.457
  423    HG2  ARG  64           HG2      ARG  64 -17.332 -14.241 -14.219
  424    HG3  ARG  64           HG1      ARG  64 -17.803 -13.788 -15.858
  425    HD2  ARG  64           HD2      ARG  64 -16.596 -16.106 -16.397
  426    HD3  ARG  64           HD1      ARG  64 -17.097 -16.441 -14.741
  427    HE   ARG  64           HE       ARG  64 -19.208 -15.374 -16.361
  428   HH11  ARG  64          HH11      ARG  64 -17.507 -18.289 -15.473
  429   HH12  ARG  64          HH12      ARG  64 -18.833 -19.331 -15.863
  430   HH21  ARG  64          HH21      ARG  64 -20.954 -16.743 -16.875
  431   HH22  ARG  64          HH22      ARG  64 -20.790 -18.454 -16.660
  432    H    GLY  65           HN       GLY  65 -14.100 -15.650 -12.399
  433    HA2  GLY  65           HA2      GLY  65 -14.746 -18.072 -12.356
  434    HA3  GLY  65           HA1      GLY  65 -14.046 -18.150 -13.967
  435    H    ASP  66           HN       ASP  66 -11.940 -18.555 -14.190
  436    HA   ASP  66           HA       ASP  66  -9.906 -17.879 -12.435
  437    HB2  ASP  66           HB2      ASP  66  -9.411 -20.170 -11.469
  438    HB3  ASP  66           HB1      ASP  66 -10.800 -19.338 -10.777
  439    H    TRP  67           HN       TRP  67  -8.857 -17.478 -14.329
  440    HA   TRP  67           HA       TRP  67  -7.991 -19.837 -15.872
  441    HB2  TRP  67           HB2      TRP  67  -7.574 -17.541 -17.452
  442    HB3  TRP  67           HB1      TRP  67  -8.767 -18.807 -17.708
  443    HD1  TRP  67           HD1      TRP  67  -8.558 -15.515 -15.602
  444    HE1  TRP  67           HE1      TRP  67 -10.865 -14.417 -15.671
  445    HE3  TRP  67           HE3      TRP  67 -11.038 -19.015 -18.374
  446    HZ2  TRP  67           HZ2      TRP  67 -13.405 -14.939 -16.766
  447    HZ3  TRP  67           HZ3      TRP  67 -13.415 -18.635 -18.898
  448    HH2  TRP  67           HH2      TRP  67 -14.574 -16.635 -18.108
  449    H    ASN  68           HN       ASN  68  -7.039 -16.467 -15.554
  450    HA   ASN  68           HA       ASN  68  -4.242 -17.282 -15.180
  451    HB2  ASN  68           HB2      ASN  68  -5.053 -14.459 -15.735
  452    HB3  ASN  68           HB1      ASN  68  -3.579 -15.307 -16.194
  453   HD21  ASN  68          HD21      ASN  68  -7.056 -15.168 -16.838
  454   HD22  ASN  68          HD22      ASN  68  -6.947 -15.629 -18.498
  455    H    ASP  69           HN       ASP  69  -6.911 -15.493 -13.855
  456    HA   ASP  69           HA       ASP  69  -7.313 -14.602 -11.810
  457    HB2  ASP  69           HB2      ASP  69  -5.032 -16.437 -11.225
  458    HB3  ASP  69           HB1      ASP  69  -5.634 -15.354  -9.977
  459    H    ASP  70           HN       ASP  70  -6.355 -13.267 -10.046
  460    HA   ASP  70           HA       ASP  70  -4.190 -11.584 -11.095
  461    HB2  ASP  70           HB2      ASP  70  -6.472 -10.497 -11.029
  462    HB3  ASP  70           HB1      ASP  70  -6.432 -10.689  -9.282
  463    H    TYR  71           HN       TYR  71  -2.391 -11.729  -9.903
  464    HA   TYR  71           HA       TYR  71  -2.736 -12.288  -7.041
  465    HB2  TYR  71           HB2      TYR  71  -1.057 -13.742  -9.038
  466    HB3  TYR  71           HB1      TYR  71  -0.641 -13.747  -7.325
  467    HD1  TYR  71           HD2      TYR  71  -2.457 -14.429  -5.700
  468    HD2  TYR  71           HD1      TYR  71  -2.639 -15.260  -9.854
  469    HE1  TYR  71           HE2      TYR  71  -4.074 -16.202  -5.244
  470    HE2  TYR  71           HE1      TYR  71  -4.271 -17.042  -9.444
  471    HH   TYR  71           HH       TYR  71  -4.769 -18.597  -7.169
  472    H    CYS  72           HN       CYS  72  -1.303 -11.561  -5.639
  473    HA   CYS  72           HA       CYS  72   0.070  -9.177  -6.162
  474    HB2  CYS  72           HB2      CYS  72  -0.303 -11.028  -3.920
  475    HB3  CYS  72           HB1      CYS  72   1.244 -10.187  -3.887
  476    H    THR  73           HN       THR  73   2.384  -8.791  -5.952
  477    HA   THR  73           HA       THR  73   3.989 -11.054  -6.942
  478    HB   THR  73           HB       THR  73   5.217  -9.580  -8.356
  479    HG1  THR  73           HG1      THR  73   3.725  -7.423  -7.282
  480   HG21  THR  73          HG21      THR  73   3.665  -9.471  -9.927
  481   HG22  THR  73          HG22      THR  73   2.781  -8.224  -9.047
  482   HG23  THR  73          HG23      THR  73   2.480  -9.928  -8.703
  483    H    GLY  74           HN       GLY  74   3.586  -8.767  -4.481
  484    HA2  GLY  74           HA2      GLY  74   4.800  -8.399  -2.566
  485    HA3  GLY  74           HA1      GLY  74   5.877  -9.690  -3.073
  486    H    LYS  75           HN       LYS  75   5.430  -7.142  -5.330
  487    HA   LYS  75           HA       LYS  75   7.897  -5.830  -4.419
  488    HB2  LYS  75           HB2      LYS  75   7.363  -6.359  -7.332
  489    HB3  LYS  75           HB1      LYS  75   8.867  -5.862  -6.571
  490    HG2  LYS  75           HG2      LYS  75   9.487  -7.984  -6.534
  491    HG3  LYS  75           HG1      LYS  75   8.190  -8.304  -5.382
  492    HD2  LYS  75           HD2      LYS  75   7.793  -9.825  -7.109
  493    HD3  LYS  75           HD1      LYS  75   6.676  -8.501  -7.446
  494    HE2  LYS  75           HE2      LYS  75   8.820  -7.658  -8.829
  495    HE3  LYS  75           HE1      LYS  75   9.065  -9.401  -8.932
  496    HZ1  LYS  75           HZ1      LYS  75   6.721  -7.842  -9.859
  497    HZ2  LYS  75           HZ2      LYS  75   6.699  -9.527  -9.715
  498    HZ3  LYS  75           HZ3      LYS  75   7.776  -8.785 -10.788
  499    H    SER  76           HN       SER  76   4.765  -5.343  -4.839
  500    HA   SER  76           HA       SER  76   4.976  -2.538  -5.037
  501    HB2  SER  76           HB2      SER  76   4.164  -2.053  -7.188
  502    HB3  SER  76           HB1      SER  76   5.344  -3.335  -7.466
  503    HG   SER  76           HG       SER  76   3.727  -4.769  -7.787
  504    H    SER  77           HN       SER  77   2.742  -1.515  -5.316
  505    HA   SER  77           HA       SER  77   0.884  -3.009  -3.650
  506    HB2  SER  77           HB2      SER  77  -0.262  -0.527  -4.264
  507    HB3  SER  77           HB1      SER  77   0.598  -0.957  -2.786
  508    HG   SER  77           HG       SER  77   1.617   0.812  -3.633
  509    H    ASP  78           HN       ASP  78   1.427  -3.224  -6.756
  510    HA   ASP  78           HA       ASP  78  -1.389  -3.058  -7.581
  511    HB2  ASP  78           HB2      ASP  78   1.167  -3.085  -9.192
  512    HB3  ASP  78           HB1      ASP  78  -0.430  -3.243  -9.916
  513    H    CYS  79           HN       CYS  79  -2.449  -4.808  -8.378
  514    HA   CYS  79           HA       CYS  79  -1.035  -7.396  -8.234
  515    HB2  CYS  79           HB2      CYS  79  -3.260  -6.518  -6.770
  516    HB3  CYS  79           HB1      CYS  79  -3.913  -7.615  -7.982
  517    HA   PRO  80           HA       PRO  80  -2.259  -7.214 -12.610
  518    HB2  PRO  80           HB2      PRO  80  -0.604  -9.177 -13.452
  519    HB3  PRO  80           HB1      PRO  80  -0.035  -7.536 -13.122
  520    HG2  PRO  80           HG2      PRO  80   0.117  -9.976 -11.390
  521    HG3  PRO  80           HG1      PRO  80   1.365  -8.760 -11.719
  522    HD2  PRO  80           HD2      PRO  80  -0.128  -8.746  -9.457
  523    HD3  PRO  80           HD1      PRO  80   0.479  -7.259 -10.212
  524    H    TRP  81           HN       TRP  81  -4.002  -8.186 -13.406
  525    HA   TRP  81           HA       TRP  81  -4.842 -10.755 -12.343
  526    HB2  TRP  81           HB2      TRP  81  -6.992 -10.303 -13.454
  527    HB3  TRP  81           HB1      TRP  81  -6.522  -9.046 -12.323
  528    HD1  TRP  81           HD1      TRP  81  -4.474  -8.060 -15.054
  529    HE1  TRP  81           HE1      TRP  81  -5.662  -6.395 -16.613
  530    HE3  TRP  81           HE3      TRP  81  -9.257  -8.882 -13.573
  531    HZ2  TRP  81           HZ2      TRP  81  -8.308  -5.545 -17.133
  532    HZ3  TRP  81           HZ3      TRP  81 -11.083  -7.612 -14.643
  533    HH2  TRP  81           HH2      TRP  81 -10.610  -5.976 -16.395
  534    H    ASN  82           HN       ASN  82  -3.354  -9.559 -15.082
  535    HA   ASN  82           HA       ASN  82  -2.629 -10.495 -17.024
  536    HB2  ASN  82           HB2      ASN  82  -3.532 -13.099 -15.774
  537    HB3  ASN  82           HB1      ASN  82  -2.433 -12.924 -17.140
  538   HD21  ASN  82          HD21      ASN  82  -2.295 -13.943 -14.236
  539   HD22  ASN  82          HD22      ASN  82  -0.821 -13.256 -13.652
  540    H    HIS  83           HN       HIS  83  -5.173  -9.389 -17.035
  541    HA   HIS  83           HA       HIS  83  -6.483 -11.059 -19.065
  542    HB2  HIS  83           HB2      HIS  83  -8.033  -9.453 -17.035
  543    HB3  HIS  83           HB1      HIS  83  -8.657 -10.632 -18.185
  544    HD1  HIS  83           HD1      HIS  83  -8.590 -10.522 -14.845
  545    HD2  HIS  83           HD2      HIS  83  -6.709 -13.145 -17.456
  546    HE1  HIS  83           HE1      HIS  83  -8.122 -12.592 -13.498
  547    HE2  HIS  83           HE2      HIS  83  -6.879 -14.114 -15.071
  Start of MODEL   19
    1    H1   SER   1           HT1      SER   1  -9.478  11.433  16.741
    2    H2   SER   1           HT2      SER   1  -8.708  10.781  18.129
    3    H3   SER   1           HT3      SER   1  -8.609   9.960  16.625
    4    HA   SER   1           HA       SER   1  -7.409  12.542  17.361
    5    HB2  SER   1           HB2      SER   1  -6.292   9.834  16.588
    6    HB3  SER   1           HB1      SER   1  -5.317  11.285  16.818
    7    HG   SER   1           HG       SER   1  -5.248  10.479  18.788
    8    HA   PRO   2           HA       PRO   2  -8.677  13.074  12.942
    9    HB2  PRO   2           HB2      PRO   2  -7.716  15.786  13.725
   10    HB3  PRO   2           HB1      PRO   2  -9.162  15.322  12.821
   11    HG2  PRO   2           HG2      PRO   2  -9.342  16.078  15.366
   12    HG3  PRO   2           HG1      PRO   2 -10.340  14.753  14.737
   13    HD2  PRO   2           HD2      PRO   2  -7.911  14.644  16.467
   14    HD3  PRO   2           HD1      PRO   2  -9.354  13.611  16.479
   15    HA   PRO   3           HA       PRO   3  -4.642  13.120  11.111
   16    HB2  PRO   3           HB2      PRO   3  -5.030  14.333   8.756
   17    HB3  PRO   3           HB1      PRO   3  -5.793  12.782   9.126
   18    HG2  PRO   3           HG2      PRO   3  -6.962  15.538   9.232
   19    HG3  PRO   3           HG1      PRO   3  -7.667  14.050   8.572
   20    HD2  PRO   3           HD2      PRO   3  -8.267  15.035  11.050
   21    HD3  PRO   3           HD1      PRO   3  -8.344  13.311  10.635
   22    H    VAL   4           HN       VAL   4  -2.861  14.261  11.544
   23    HA   VAL   4           HA       VAL   4  -2.780  17.095  10.970
   24    HB   VAL   4           HB       VAL   4  -3.605  17.224  13.200
   25   HG11  VAL   4          HG11      VAL   4  -2.875  15.966  15.005
   26   HG12  VAL   4          HG12      VAL   4  -1.322  15.602  14.252
   27   HG13  VAL   4          HG13      VAL   4  -2.789  14.813  13.672
   28   HG21  VAL   4          HG21      VAL   4  -2.101  18.738  13.968
   29   HG22  VAL   4          HG22      VAL   4  -1.374  18.462  12.383
   30   HG23  VAL   4          HG23      VAL   4  -0.739  17.629  13.803
   31    H    CYS   5           HN       CYS   5  -1.253  16.505   9.476
   32    HA   CYS   5           HA       CYS   5   1.396  16.848  10.120
   33    HB2  CYS   5           HB2      CYS   5   0.538  14.091  10.475
   34    HB3  CYS   5           HB1      CYS   5   1.780  14.216   9.236
   35    H    GLY   6           HN       GLY   6   1.321  18.151   8.319
   36    HA2  GLY   6           HA2      GLY   6   1.168  18.718   6.083
   37    HA3  GLY   6           HA1      GLY   6   1.810  17.103   5.776
   38    H    ASN   7           HN       ASN   7  -1.116  17.544   7.569
   39    HA   ASN   7           HA       ASN   7  -3.255  16.884   7.253
   40    HB2  ASN   7           HB2      ASN   7  -2.507  18.178   4.721
   41    HB3  ASN   7           HB1      ASN   7  -3.836  17.028   4.570
   42   HD21  ASN   7          HD21      ASN   7  -2.853  20.111   5.653
   43   HD22  ASN   7          HD22      ASN   7  -4.375  20.629   6.286
   44    H    LYS   8           HN       LYS   8  -3.413  14.755   7.667
   45    HA   LYS   8           HA       LYS   8  -2.125  12.634   6.748
   46    HB2  LYS   8           HB2      LYS   8  -4.028  12.547   8.345
   47    HB3  LYS   8           HB1      LYS   8  -5.136  12.618   6.981
   48    HG2  LYS   8           HG2      LYS   8  -3.062  10.465   7.243
   49    HG3  LYS   8           HG1      LYS   8  -4.653  10.335   7.994
   50    HD2  LYS   8           HD2      LYS   8  -5.257  11.087   5.421
   51    HD3  LYS   8           HD1      LYS   8  -3.864  10.025   5.199
   52    HE2  LYS   8           HE2      LYS   8  -5.200   8.506   6.896
   53    HE3  LYS   8           HE1      LYS   8  -6.574   9.418   6.271
   54    HZ1  LYS   8           HZ1      LYS   8  -6.168   7.357   5.039
   55    HZ2  LYS   8           HZ2      LYS   8  -4.634   7.916   4.598
   56    HZ3  LYS   8           HZ3      LYS   8  -6.016   8.721   4.050
   57    H    ILE   9           HN       ILE   9  -1.378  12.484   4.707
   58    HA   ILE   9           HA       ILE   9  -2.375  13.359   2.387
   59    HB   ILE   9           HB       ILE   9  -1.417  11.260   1.245
   60   HG12  ILE   9          HG12      ILE   9   0.355  10.195   2.767
   61   HG13  ILE   9          HG11      ILE   9  -0.613  10.797   4.114
   62   HG21  ILE   9          HG21      ILE   9   0.950  12.150   2.109
   63   HG22  ILE   9          HG22      ILE   9  -0.084  13.446   2.703
   64   HG23  ILE   9          HG23      ILE   9  -0.068  13.046   0.986
   65   HD11  ILE   9          HD11      ILE   9  -1.281   8.581   3.804
   66   HD12  ILE   9          HD12      ILE   9  -1.339   8.753   2.050
   67   HD13  ILE   9          HD13      ILE   9  -2.553   9.538   3.054
   68    H    LEU  10           HN       LEU  10  -3.552  12.556   0.632
   69    HA   LEU  10           HA       LEU  10  -5.669  10.684   1.422
   70    HB2  LEU  10           HB2      LEU  10  -7.105  11.986  -0.194
   71    HB3  LEU  10           HB1      LEU  10  -6.649  12.820   1.281
   72    HG   LEU  10           HG       LEU  10  -6.576  14.145  -0.893
   73   HD11  LEU  10          HD11      LEU  10  -5.272  15.581   0.195
   74   HD12  LEU  10          HD12      LEU  10  -3.906  14.465   0.208
   75   HD13  LEU  10          HD13      LEU  10  -5.158  14.340   1.444
   76   HD21  LEU  10          HD21      LEU  10  -4.679  13.953  -2.304
   77   HD22  LEU  10          HD22      LEU  10  -5.398  12.348  -2.177
   78   HD23  LEU  10          HD23      LEU  10  -3.946  12.740  -1.256
   79    H    GLU  11           HN       GLU  11  -3.028  10.582  -0.200
   80    HA   GLU  11           HA       GLU  11  -3.766   8.472  -1.896
   81    HB2  GLU  11           HB2      GLU  11  -3.499   9.456  -4.088
   82    HB3  GLU  11           HB1      GLU  11  -4.768  10.308  -3.218
   83    HG2  GLU  11           HG2      GLU  11  -2.775  11.902  -2.564
   84    HG3  GLU  11           HG1      GLU  11  -2.072  11.238  -4.038
   85    H    GLN  12           HN       GLN  12  -1.725   8.900   0.010
   86    HA   GLN  12           HA       GLN  12   0.492   7.886  -1.379
   87    HB2  GLN  12           HB2      GLN  12   2.064   9.845  -0.851
   88    HB3  GLN  12           HB1      GLN  12   1.027   9.976  -2.263
   89    HG2  GLN  12           HG2      GLN  12  -0.484  11.092  -0.258
   90    HG3  GLN  12           HG1      GLN  12   1.158  11.605   0.133
   91   HE21  GLN  12          HE21      GLN  12   1.382  13.611  -0.551
   92   HE22  GLN  12          HE22      GLN  12   0.926  14.212  -2.106
   93    H    GLY  13           HN       GLY  13  -0.468   6.694   0.669
   94    HA2  GLY  13           HA2      GLY  13   0.211   7.495   3.256
   95    HA3  GLY  13           HA1      GLY  13   0.040   5.825   2.737
   96    H    GLU  14           HN       GLU  14   2.209   6.257   0.717
   97    HA   GLU  14           HA       GLU  14   4.527   6.269   2.544
   98    HB2  GLU  14           HB2      GLU  14   5.549   4.523   1.197
   99    HB3  GLU  14           HB1      GLU  14   3.988   3.978   1.784
  100    HG2  GLU  14           HG2      GLU  14   3.188   3.708  -0.276
  101    HG3  GLU  14           HG1      GLU  14   3.818   5.262  -0.815
  102    H    ASP  15           HN       ASP  15   3.144   7.209  -0.496
  103    HA   ASP  15           HA       ASP  15   5.431   8.005  -1.878
  104    HB2  ASP  15           HB2      ASP  15   2.609   8.282  -2.161
  105    HB3  ASP  15           HB1      ASP  15   3.324   9.879  -2.370
  106    H    CYS  16           HN       CYS  16   3.808   9.347   0.845
  107    HA   CYS  16           HA       CYS  16   5.771  10.904   1.834
  108    HB2  CYS  16           HB2      CYS  16   6.005  12.310  -0.009
  109    HB3  CYS  16           HB1      CYS  16   4.278  12.339  -0.334
  110    H    ASP  17           HN       ASP  17   5.054  12.410   3.477
  111    HA   ASP  17           HA       ASP  17   3.770  12.960   5.257
  112    HB2  ASP  17           HB2      ASP  17   2.215  13.458   2.912
  113    HB3  ASP  17           HB1      ASP  17   1.142  12.890   4.188
  114    H    CYS  18           HN       CYS  18   4.140  11.047   6.410
  115    HA   CYS  18           HA       CYS  18   3.084   8.583   6.266
  116    HB2  CYS  18           HB2      CYS  18   4.560   9.619   8.112
  117    HB3  CYS  18           HB1      CYS  18   3.049  10.065   8.903
  118    H    GLY  19           HN       GLY  19   1.397  11.475   7.369
  119    HA2  GLY  19           HA2      GLY  19  -0.874  11.870   7.364
  120    HA3  GLY  19           HA1      GLY  19  -1.141  10.221   6.816
  121    H    SER  20           HN       SER  20   0.713   9.452   9.188
  122    HA   SER  20           HA       SER  20  -1.462   9.324  11.103
  123    HB2  SER  20           HB2      SER  20   1.065   7.863  11.597
  124    HB3  SER  20           HB1      SER  20  -0.600   7.364  11.889
  125    HG   SER  20           HG       SER  20   0.965   6.779   9.812
  126    HA   PRO  21           HA       PRO  21   0.862  12.796  12.906
  127    HB2  PRO  21           HB2      PRO  21  -1.160  13.243  14.762
  128    HB3  PRO  21           HB1      PRO  21  -1.016  14.025  13.188
  129    HG2  PRO  21           HG2      PRO  21  -2.653  11.650  13.972
  130    HG3  PRO  21           HG1      PRO  21  -3.091  13.014  12.926
  131    HD2  PRO  21           HD2      PRO  21  -2.418  10.675  11.866
  132    HD3  PRO  21           HD1      PRO  21  -1.843  12.186  11.124
  133    H    ALA  22           HN       ALA  22  -0.528   9.930  14.301
  134    HA   ALA  22           HA       ALA  22   0.374  10.187  16.940
  135    HB1  ALA  22           HB1      ALA  22   0.391   7.536  16.668
  136    HB2  ALA  22           HB2      ALA  22  -0.519   7.955  15.216
  137    HB3  ALA  22           HB3      ALA  22  -1.099   8.470  16.800
  138    H    ASN  23           HN       ASN  23   2.140   9.639  14.049
  139    HA   ASN  23           HA       ASN  23   4.521   9.018  15.662
  140    HB2  ASN  23           HB2      ASN  23   3.508   7.659  13.203
  141    HB3  ASN  23           HB1      ASN  23   5.249   7.795  13.434
  142   HD21  ASN  23          HD21      ASN  23   2.567   5.950  14.043
  143   HD22  ASN  23          HD22      ASN  23   3.191   4.970  15.321
  144    H    CYS  24           HN       CYS  24   4.064   9.580  12.185
  145    HA   CYS  24           HA       CYS  24   5.024  11.051  10.750
  146    HB2  CYS  24           HB2      CYS  24   4.952  12.890  13.150
  147    HB3  CYS  24           HB1      CYS  24   5.209  13.398  11.483
  148    H    GLN  25           HN       GLN  25   6.671   9.320  12.510
  149    HA   GLN  25           HA       GLN  25   9.209  10.029  11.604
  150    HB2  GLN  25           HB2      GLN  25   8.434  11.191  14.202
  151    HB3  GLN  25           HB1      GLN  25   9.980  10.355  14.201
  152    HG2  GLN  25           HG2      GLN  25   9.705  12.085  11.903
  153    HG3  GLN  25           HG1      GLN  25   9.493  12.965  13.416
  154   HE21  GLN  25          HE21      GLN  25  11.699  11.636  11.248
  155   HE22  GLN  25          HE22      GLN  25  13.131  11.830  12.195
  156    H    ASP  26           HN       ASP  26   7.498   7.759  11.842
  157    HA   ASP  26           HA       ASP  26   9.327   5.771  12.550
  158    HB2  ASP  26           HB2      ASP  26   8.323   6.843  14.835
  159    HB3  ASP  26           HB1      ASP  26   7.148   5.565  14.539
  160    H    ARG  27           HN       ARG  27   7.464   3.763  13.412
  161    HA   ARG  27           HA       ARG  27   5.994   2.263  12.562
  162    HB2  ARG  27           HB2      ARG  27   4.318   3.969  12.864
  163    HB3  ARG  27           HB1      ARG  27   4.785   4.761  11.367
  164    HG2  ARG  27           HG2      ARG  27   3.443   3.465  10.164
  165    HG3  ARG  27           HG1      ARG  27   4.066   1.997  10.919
  166    HD2  ARG  27           HD2      ARG  27   1.980   1.838  11.750
  167    HD3  ARG  27           HD1      ARG  27   2.574   2.998  12.937
  168    HE   ARG  27           HE       ARG  27   1.477   4.225  10.584
  169   HH11  ARG  27          HH11      ARG  27   0.728   2.895  13.722
  170   HH12  ARG  27          HH12      ARG  27  -0.733   3.807  13.899
  171   HH21  ARG  27          HH21      ARG  27  -0.444   5.426  10.815
  172   HH22  ARG  27          HH22      ARG  27  -1.399   5.244  12.248
  173    H    CYS  28           HN       CYS  28   5.491   4.166   9.667
  174    HA   CYS  28           HA       CYS  28   7.576   2.832   8.202
  175    HB2  CYS  28           HB2      CYS  28   5.808   1.933   6.528
  176    HB3  CYS  28           HB1      CYS  28   6.166   1.011   7.982
  177    H    CYS  29           HN       CYS  29   6.486   5.567   8.803
  178    HA   CYS  29           HA       CYS  29   7.013   6.693   6.256
  179    HB2  CYS  29           HB2      CYS  29   4.738   7.949   6.215
  180    HB3  CYS  29           HB1      CYS  29   4.849   6.337   5.525
  181    H    ASN  30           HN       ASN  30   7.432   8.824   6.287
  182    HA   ASN  30           HA       ASN  30   7.514  10.007   8.970
  183    HB2  ASN  30           HB2      ASN  30   9.520   9.662   7.012
  184    HB3  ASN  30           HB1      ASN  30   9.181  11.386   7.094
  185   HD21  ASN  30          HD21      ASN  30  11.199   9.209   8.173
  186   HD22  ASN  30          HD22      ASN  30  11.568   9.834   9.742
  187    H    ALA  31           HN       ALA  31   5.566  11.051   9.016
  188    HA   ALA  31           HA       ALA  31   4.565  12.664   6.911
  189    HB1  ALA  31           HB1      ALA  31   2.757  12.636   8.220
  190    HB2  ALA  31           HB2      ALA  31   3.609  13.604   9.418
  191    HB3  ALA  31           HB3      ALA  31   3.693  11.847   9.490
  192    H    ALA  32           HN       ALA  32   7.180  12.981   8.918
  193    HA   ALA  32           HA       ALA  32   7.241  15.873   9.125
  194    HB1  ALA  32           HB1      ALA  32   9.262  15.506  10.375
  195    HB2  ALA  32           HB2      ALA  32   9.348  13.828   9.820
  196    HB3  ALA  32           HB3      ALA  32   8.060  14.335  10.923
  197    H    THR  33           HN       THR  33   8.987  13.244   7.565
  198    HA   THR  33           HA       THR  33  10.659  15.071   6.053
  199    HB   THR  33           HB       THR  33  11.087  12.640   7.187
  200    HG1  THR  33           HG1      THR  33  12.733  14.022   6.555
  201   HG21  THR  33          HG21      THR  33   9.764  11.555   5.385
  202   HG22  THR  33          HG22      THR  33  11.403  10.954   5.616
  203   HG23  THR  33          HG23      THR  33  11.040  12.033   4.267
  204    H    CYS  34           HN       CYS  34   7.637  13.732   5.646
  205    HA   CYS  34           HA       CYS  34   6.222  13.645   3.880
  206    HB2  CYS  34           HB2      CYS  34   7.003  15.790   3.179
  207    HB3  CYS  34           HB1      CYS  34   8.499  15.120   2.552
  208    H    LYS  35           HN       LYS  35   8.158  11.427   4.483
  209    HA   LYS  35           HA       LYS  35   7.662   9.992   2.011
  210    HB2  LYS  35           HB2      LYS  35  10.376  10.887   2.779
  211    HB3  LYS  35           HB1      LYS  35  10.224   9.228   2.217
  212    HG2  LYS  35           HG2      LYS  35   8.791  11.043   0.493
  213    HG3  LYS  35           HG1      LYS  35  10.484  11.511   0.656
  214    HD2  LYS  35           HD2      LYS  35  10.077   8.638   0.291
  215    HD3  LYS  35           HD1      LYS  35   9.517   9.615  -1.067
  216    HE2  LYS  35           HE2      LYS  35  11.753  10.760  -1.032
  217    HE3  LYS  35           HE1      LYS  35  12.275   9.554   0.143
  218    HZ1  LYS  35           HZ1      LYS  35  12.845   9.070  -2.231
  219    HZ2  LYS  35           HZ2      LYS  35  11.194   8.843  -2.524
  220    HZ3  LYS  35           HZ3      LYS  35  12.005   7.836  -1.433
  221    H    LEU  36           HN       LEU  36   7.673   7.777   2.210
  222    HA   LEU  36           HA       LEU  36   7.103   6.715   4.721
  223    HB2  LEU  36           HB2      LEU  36   7.019   4.584   3.706
  224    HB3  LEU  36           HB1      LEU  36   6.450   5.731   2.512
  225    HG   LEU  36           HG       LEU  36   9.246   4.599   2.559
  226   HD11  LEU  36          HD11      LEU  36   8.532   2.781   1.490
  227   HD12  LEU  36          HD12      LEU  36   7.563   3.742   0.372
  228   HD13  LEU  36          HD13      LEU  36   6.887   3.252   1.927
  229   HD21  LEU  36          HD21      LEU  36   9.120   6.734   1.438
  230   HD22  LEU  36          HD22      LEU  36   7.718   6.203   0.509
  231   HD23  LEU  36          HD23      LEU  36   9.291   5.455   0.236
  232    H    THR  37           HN       THR  37   8.301   5.332   6.114
  233    HA   THR  37           HA       THR  37  11.108   6.029   6.195
  234    HB   THR  37           HB       THR  37  10.955   4.681   8.398
  235    HG1  THR  37           HG1      THR  37   8.825   4.518   9.176
  236   HG21  THR  37          HG21      THR  37  11.098   7.013   8.584
  237   HG22  THR  37          HG22      THR  37   9.686   6.541   9.530
  238   HG23  THR  37          HG23      THR  37   9.477   7.245   7.926
  239    HA   PRO  38           HA       PRO  38  13.121   2.451   4.655
  240    HB2  PRO  38           HB2      PRO  38  14.432   2.323   7.339
  241    HB3  PRO  38           HB1      PRO  38  15.162   2.272   5.729
  242    HG2  PRO  38           HG2      PRO  38  15.277   4.491   7.175
  243    HG3  PRO  38           HG1      PRO  38  14.968   4.572   5.430
  244    HD2  PRO  38           HD2      PRO  38  13.077   4.923   7.710
  245    HD3  PRO  38           HD1      PRO  38  13.108   5.735   6.132
  246    H    GLY  39           HN       GLY  39  12.971   0.235   4.709
  247    HA2  GLY  39           HA2      GLY  39  12.521  -1.869   5.682
  248    HA3  GLY  39           HA1      GLY  39  11.833  -1.051   7.077
  249    H    SER  40           HN       SER  40  10.147   0.714   5.517
  250    HA   SER  40           HA       SER  40   7.918  -1.062   5.165
  251    HB2  SER  40           HB2      SER  40   7.596   1.151   6.167
  252    HB3  SER  40           HB1      SER  40   8.165   1.919   4.686
  253    HG   SER  40           HG       SER  40   6.211   1.763   3.964
  254    H    GLN  41           HN       GLN  41   7.495  -2.130   3.355
  255    HA   GLN  41           HA       GLN  41   8.854  -1.558   0.908
  256    HB2  GLN  41           HB2      GLN  41   6.455  -3.361   1.201
  257    HB3  GLN  41           HB1      GLN  41   7.753  -3.466   0.019
  258    HG2  GLN  41           HG2      GLN  41   9.185  -3.741   2.262
  259    HG3  GLN  41           HG1      GLN  41   7.647  -4.404   2.813
  260   HE21  GLN  41          HE21      GLN  41   7.406  -6.493   2.525
  261   HE22  GLN  41          HE22      GLN  41   8.186  -7.457   1.322
  262    H    CYS  42           HN       CYS  42   5.554  -1.124   2.084
  263    HA   CYS  42           HA       CYS  42   5.104   1.111   0.393
  264    HB2  CYS  42           HB2      CYS  42   4.862  -0.645  -1.303
  265    HB3  CYS  42           HB1      CYS  42   3.640  -1.439  -0.314
  266    H    ASN  43           HN       ASN  43   3.306   2.278   1.010
  267    HA   ASN  43           HA       ASN  43   1.930   1.242   3.381
  268    HB2  ASN  43           HB2      ASN  43   3.233   3.406   3.527
  269    HB3  ASN  43           HB1      ASN  43   2.016   4.114   2.469
  270   HD21  ASN  43          HD21      ASN  43  -0.250   3.918   3.228
  271   HD22  ASN  43          HD22      ASN  43  -0.547   4.087   4.921
  272    H    TYR  44           HN       TYR  44   1.395   2.643   0.198
  273    HA   TYR  44           HA       TYR  44  -1.439   1.884   0.444
  274    HB2  TYR  44           HB2      TYR  44  -2.232   3.905  -0.227
  275    HB3  TYR  44           HB1      TYR  44  -0.719   4.477   0.465
  276    HD1  TYR  44           HD2      TYR  44  -2.231   3.376  -2.768
  277    HD2  TYR  44           HD1      TYR  44   0.755   5.722  -0.842
  278    HE1  TYR  44           HE2      TYR  44  -1.626   4.372  -4.931
  279    HE2  TYR  44           HE1      TYR  44   1.369   6.722  -3.004
  280    HH   TYR  44           HH       TYR  44   1.197   6.092  -5.440
  281    H    GLY  45           HN       GLY  45  -2.337   0.866  -1.273
  282    HA2  GLY  45           HA2      GLY  45  -1.991   0.907  -3.883
  283    HA3  GLY  45           HA1      GLY  45  -0.507   0.092  -3.418
  284    H    GLU  46           HN       GLU  46  -2.263  -1.136  -5.097
  285    HA   GLU  46           HA       GLU  46  -4.231  -2.738  -3.945
  286    HB2  GLU  46           HB2      GLU  46  -2.552  -2.923  -6.405
  287    HB3  GLU  46           HB1      GLU  46  -3.490  -4.331  -5.925
  288    HG2  GLU  46           HG2      GLU  46  -5.435  -3.404  -6.531
  289    HG3  GLU  46           HG1      GLU  46  -4.986  -1.814  -5.917
  290    H    CYS  47           HN       CYS  47  -0.752  -3.137  -4.056
  291    HA   CYS  47           HA       CYS  47  -1.027  -5.706  -2.635
  292    HB2  CYS  47           HB2      CYS  47   0.935  -4.670  -4.606
  293    HB3  CYS  47           HB1      CYS  47   1.581  -5.672  -3.313
  294    H    CYS  48           HN       CYS  48  -1.124  -2.922  -1.493
  295    HA   CYS  48           HA       CYS  48   1.211  -3.151   0.291
  296    HB2  CYS  48           HB2      CYS  48  -0.383  -0.632  -0.149
  297    HB3  CYS  48           HB1      CYS  48   1.211  -0.798   0.580
  298    H    ASP  49           HN       ASP  49   0.833  -3.680   2.318
  299    HA   ASP  49           HA       ASP  49  -1.732  -2.965   3.545
  300    HB2  ASP  49           HB2      ASP  49  -1.818  -5.335   2.731
  301    HB3  ASP  49           HB1      ASP  49  -0.479  -5.704   3.812
  302    H    GLN  50           HN       GLN  50  -1.453  -2.009   5.440
  303    HA   GLN  50           HA       GLN  50  -0.556  -1.302   7.399
  304    HB2  GLN  50           HB2      GLN  50   0.468  -4.051   7.122
  305    HB3  GLN  50           HB1      GLN  50   1.409  -3.019   8.190
  306    HG2  GLN  50           HG2      GLN  50  -1.054  -2.459   9.085
  307    HG3  GLN  50           HG1      GLN  50  -1.311  -4.106   8.509
  308   HE21  GLN  50          HE21      GLN  50   0.623  -2.103  10.649
  309   HE22  GLN  50          HE22      GLN  50   1.064  -3.367  11.741
  310    H    CYS  51           HN       CYS  51   2.399  -2.889   6.275
  311    HA   CYS  51           HA       CYS  51   3.537  -0.369   5.396
  312    HB2  CYS  51           HB2      CYS  51   4.837  -1.880   7.667
  313    HB3  CYS  51           HB1      CYS  51   5.387  -0.375   6.945
  314    H    ARG  52           HN       ARG  52   2.991  -3.239   4.463
  315    HA   ARG  52           HA       ARG  52   5.536  -3.541   3.089
  316    HB2  ARG  52           HB2      ARG  52   4.291  -5.843   4.602
  317    HB3  ARG  52           HB1      ARG  52   5.740  -5.914   3.609
  318    HG2  ARG  52           HG2      ARG  52   6.626  -4.094   5.239
  319    HG3  ARG  52           HG1      ARG  52   5.350  -4.691   6.301
  320    HD2  ARG  52           HD2      ARG  52   6.958  -6.129   6.964
  321    HD3  ARG  52           HD1      ARG  52   6.441  -7.025   5.536
  322    HE   ARG  52           HE       ARG  52   8.484  -6.617   4.616
  323   HH11  ARG  52          HH11      ARG  52   7.926  -4.254   7.123
  324   HH12  ARG  52          HH12      ARG  52   9.507  -3.561   6.995
  325   HH21  ARG  52          HH21      ARG  52  10.565  -5.707   4.447
  326   HH22  ARG  52          HH22      ARG  52  11.006  -4.385   5.476
  327    H    PHE  53           HN       PHE  53   5.286  -5.582   1.537
  328    HA   PHE  53           HA       PHE  53   2.959  -4.990  -0.056
  329    HB2  PHE  53           HB2      PHE  53   5.377  -6.726  -0.482
  330    HB3  PHE  53           HB1      PHE  53   4.001  -6.802  -1.578
  331    HD1  PHE  53           HD2      PHE  53   3.303  -3.842  -1.456
  332    HD2  PHE  53           HD1      PHE  53   6.983  -5.905  -2.001
  333    HE1  PHE  53           HE2      PHE  53   4.181  -1.928  -2.701
  334    HE2  PHE  53           HE1      PHE  53   7.875  -3.984  -3.255
  335    HZ   PHE  53           HZ       PHE  53   6.473  -1.989  -3.609
  336    H    LYS  54           HN       LYS  54   1.221  -6.281  -0.454
  337    HA   LYS  54           HA       LYS  54   0.543  -8.239   1.467
  338    HB2  LYS  54           HB2      LYS  54  -0.704  -6.992  -0.843
  339    HB3  LYS  54           HB1      LYS  54  -1.084  -8.708  -0.758
  340    HG2  LYS  54           HG2      LYS  54  -2.196  -8.501   1.249
  341    HG3  LYS  54           HG1      LYS  54  -1.361  -7.007   1.677
  342    HD2  LYS  54           HD2      LYS  54  -2.623  -5.766   0.060
  343    HD3  LYS  54           HD1      LYS  54  -3.341  -7.245  -0.584
  344    HE2  LYS  54           HE2      LYS  54  -4.035  -7.461   2.011
  345    HE3  LYS  54           HE1      LYS  54  -4.010  -5.706   1.840
  346    HZ1  LYS  54           HZ1      LYS  54  -6.137  -7.139   1.279
  347    HZ2  LYS  54           HZ2      LYS  54  -5.386  -7.233  -0.233
  348    HZ3  LYS  54           HZ3      LYS  54  -5.765  -5.724   0.429
  349    H    LYS  55           HN       LYS  55   1.868  -9.959   1.597
  350    HA   LYS  55           HA       LYS  55   3.487 -11.254   0.008
  351    HB2  LYS  55           HB2      LYS  55   2.870 -13.403   1.014
  352    HB3  LYS  55           HB1      LYS  55   2.930 -12.114   2.210
  353    HG2  LYS  55           HG2      LYS  55   0.652 -12.116   2.519
  354    HG3  LYS  55           HG1      LYS  55   0.335 -12.799   0.923
  355    HD2  LYS  55           HD2      LYS  55  -0.089 -14.383   2.797
  356    HD3  LYS  55           HD1      LYS  55   1.100 -14.962   1.629
  357    HE2  LYS  55           HE2      LYS  55   2.909 -14.325   3.106
  358    HE3  LYS  55           HE1      LYS  55   1.763 -13.628   4.252
  359    HZ1  LYS  55           HZ1      LYS  55   2.147 -15.683   5.159
  360    HZ2  LYS  55           HZ2      LYS  55   2.312 -16.455   3.663
  361    HZ3  LYS  55           HZ3      LYS  55   0.777 -16.015   4.221
  362    H    ALA  56           HN       ALA  56   3.582 -12.497  -1.761
  363    HA   ALA  56           HA       ALA  56   1.725 -12.340  -3.763
  364    HB1  ALA  56           HB1      ALA  56   3.941 -14.260  -3.220
  365    HB2  ALA  56           HB2      ALA  56   3.773 -13.071  -4.511
  366    HB3  ALA  56           HB3      ALA  56   2.835 -14.565  -4.561
  367    H    GLY  57           HN       GLY  57   0.071 -13.609  -4.492
  368    HA2  GLY  57           HA2      GLY  57  -1.312 -15.577  -4.417
  369    HA3  GLY  57           HA1      GLY  57  -0.754 -15.858  -2.772
  370    H    THR  58           HN       THR  58  -1.122 -12.774  -2.500
  371    HA   THR  58           HA       THR  58  -3.756 -12.937  -1.360
  372    HB   THR  58           HB       THR  58  -1.858 -10.594  -1.687
  373    HG1  THR  58           HG1      THR  58  -1.328 -11.003   0.419
  374   HG21  THR  58          HG21      THR  58  -4.559 -10.474  -1.089
  375   HG22  THR  58          HG22      THR  58  -3.341  -9.224  -0.802
  376   HG23  THR  58          HG23      THR  58  -3.743 -10.377   0.473
  377    H    VAL  59           HN       VAL  59  -5.541 -12.763  -2.569
  378    HA   VAL  59           HA       VAL  59  -5.461 -11.727  -5.218
  379    HB   VAL  59           HB       VAL  59  -7.006 -13.535  -4.614
  380   HG11  VAL  59          HG11      VAL  59  -8.558 -13.435  -2.985
  381   HG12  VAL  59          HG12      VAL  59  -8.935 -11.742  -3.303
  382   HG13  VAL  59          HG13      VAL  59  -7.511 -12.164  -2.351
  383   HG21  VAL  59          HG21      VAL  59  -8.331 -11.003  -5.568
  384   HG22  VAL  59          HG22      VAL  59  -9.050 -12.609  -5.684
  385   HG23  VAL  59          HG23      VAL  59  -7.563 -12.243  -6.559
  386    H    CYS  60           HN       CYS  60  -5.608  -9.685  -5.847
  387    HA   CYS  60           HA       CYS  60  -6.822  -7.734  -4.000
  388    HB2  CYS  60           HB2      CYS  60  -5.051  -6.991  -6.308
  389    HB3  CYS  60           HB1      CYS  60  -5.413  -6.065  -4.856
  390    H    ARG  61           HN       ARG  61  -7.160  -9.219  -7.068
  391    HA   ARG  61           HA       ARG  61  -9.557  -7.672  -7.592
  392    HB2  ARG  61           HB2      ARG  61  -7.180  -6.897  -8.827
  393    HB3  ARG  61           HB1      ARG  61  -8.010  -7.845 -10.052
  394    HG2  ARG  61           HG2      ARG  61 -10.029  -6.277  -9.142
  395    HG3  ARG  61           HG1      ARG  61  -8.646  -5.204  -8.954
  396    HD2  ARG  61           HD2      ARG  61  -9.830  -6.375 -11.430
  397    HD3  ARG  61           HD1      ARG  61  -9.318  -4.722 -11.107
  398    HE   ARG  61           HE       ARG  61  -7.792  -6.697 -12.374
  399   HH11  ARG  61          HH11      ARG  61  -7.441  -4.208  -9.946
  400   HH12  ARG  61          HH12      ARG  61  -5.737  -4.040 -10.191
  401   HH21  ARG  61          HH21      ARG  61  -5.554  -6.475 -12.689
  402   HH22  ARG  61          HH22      ARG  61  -4.666  -5.321 -11.751
  403    H    ILE  62           HN       ILE  62 -10.369  -8.453  -9.927
  404    HA   ILE  62           HA       ILE  62  -9.838 -10.997 -10.878
  405    HB   ILE  62           HB       ILE  62 -10.553 -11.874  -8.730
  406   HG12  ILE  62          HG12      ILE  62 -12.408 -13.344  -9.495
  407   HG13  ILE  62          HG11      ILE  62 -12.612 -12.308 -10.904
  408   HG21  ILE  62          HG21      ILE  62 -12.084  -9.813  -8.355
  409   HG22  ILE  62          HG22      ILE  62 -12.541 -11.369  -7.663
  410   HG23  ILE  62          HG23      ILE  62 -13.309 -10.804  -9.148
  411   HD11  ILE  62          HD11      ILE  62 -10.268 -14.053 -10.222
  412   HD12  ILE  62          HD12      ILE  62 -10.234 -12.840 -11.502
  413   HD13  ILE  62          HD13      ILE  62 -11.367 -14.189 -11.594
  414    H    ALA  63           HN       ALA  63 -10.928 -11.283 -12.734
  415    HA   ALA  63           HA       ALA  63 -12.498  -9.160 -13.715
  416    HB1  ALA  63           HB1      ALA  63 -12.947 -11.291 -15.439
  417    HB2  ALA  63           HB2      ALA  63 -11.339 -11.574 -14.774
  418    HB3  ALA  63           HB3      ALA  63 -11.703 -10.051 -15.580
  419    H    ARG  64           HN       ARG  64 -13.886 -12.308 -14.328
  420    HA   ARG  64           HA       ARG  64 -16.090 -11.769 -12.493
  421    HB2  ARG  64           HB2      ARG  64 -16.226 -11.533 -15.413
  422    HB3  ARG  64           HB1      ARG  64 -17.467 -12.573 -14.730
  423    HG2  ARG  64           HG2      ARG  64 -18.552 -10.584 -14.627
  424    HG3  ARG  64           HG1      ARG  64 -17.743 -10.544 -13.059
  425    HD2  ARG  64           HD2      ARG  64 -15.839  -9.350 -14.297
  426    HD3  ARG  64           HD1      ARG  64 -17.012  -9.107 -15.590
  427    HE   ARG  64           HE       ARG  64 -18.312  -8.185 -13.409
  428   HH11  ARG  64          HH11      ARG  64 -15.158  -7.528 -14.750
  429   HH12  ARG  64          HH12      ARG  64 -15.109  -5.900 -14.162
  430   HH21  ARG  64          HH21      ARG  64 -18.250  -6.044 -12.636
  431   HH22  ARG  64          HH22      ARG  64 -16.865  -5.057 -12.962
  432    H    GLY  65           HN       GLY  65 -15.320 -13.630 -11.358
  433    HA2  GLY  65           HA2      GLY  65 -16.419 -15.893 -11.194
  434    HA3  GLY  65           HA1      GLY  65 -15.769 -16.163 -12.804
  435    H    ASP  66           HN       ASP  66 -13.796 -16.992 -13.010
  436    HA   ASP  66           HA       ASP  66 -11.645 -16.612 -11.283
  437    HB2  ASP  66           HB2      ASP  66 -13.517 -18.722 -10.465
  438    HB3  ASP  66           HB1      ASP  66 -11.844 -19.260 -10.583
  439    H    TRP  67           HN       TRP  67 -10.567 -16.453 -13.205
  440    HA   TRP  67           HA       TRP  67 -10.126 -18.977 -14.669
  441    HB2  TRP  67           HB2      TRP  67  -9.336 -16.823 -16.317
  442    HB3  TRP  67           HB1      TRP  67 -10.716 -17.891 -16.545
  443    HD1  TRP  67           HD1      TRP  67  -9.957 -14.600 -14.582
  444    HE1  TRP  67           HE1      TRP  67 -12.069 -13.161 -14.650
  445    HE3  TRP  67           HE3      TRP  67 -13.019 -17.785 -17.144
  446    HZ2  TRP  67           HZ2      TRP  67 -14.692 -13.330 -15.680
  447    HZ3  TRP  67           HZ3      TRP  67 -15.321 -17.065 -17.641
  448    HH2  TRP  67           HH2      TRP  67 -16.139 -14.879 -16.921
  449    H    ASN  68           HN       ASN  68  -8.621 -15.805 -14.463
  450    HA   ASN  68           HA       ASN  68  -5.994 -17.059 -14.079
  451    HB2  ASN  68           HB2      ASN  68  -6.356 -14.145 -14.637
  452    HB3  ASN  68           HB1      ASN  68  -5.029 -15.210 -15.092
  453   HD21  ASN  68          HD21      ASN  68  -8.410 -14.456 -15.764
  454   HD22  ASN  68          HD22      ASN  68  -8.385 -14.961 -17.415
  455    H    ASP  69           HN       ASP  69  -8.132 -14.509 -12.935
  456    HA   ASP  69           HA       ASP  69  -8.431 -13.618 -10.857
  457    HB2  ASP  69           HB2      ASP  69  -7.530 -16.107 -10.273
  458    HB3  ASP  69           HB1      ASP  69  -6.263 -15.118  -9.558
  459    H    ASP  70           HN       ASP  70  -7.330 -12.253  -9.286
  460    HA   ASP  70           HA       ASP  70  -4.825 -11.186 -10.381
  461    HB2  ASP  70           HB2      ASP  70  -6.854  -9.681 -10.472
  462    HB3  ASP  70           HB1      ASP  70  -6.841  -9.692  -8.716
  463    H    TYR  71           HN       TYR  71  -3.100 -11.550  -9.180
  464    HA   TYR  71           HA       TYR  71  -3.481 -11.732  -6.275
  465    HB2  TYR  71           HB2      TYR  71  -2.167 -13.696  -8.107
  466    HB3  TYR  71           HB1      TYR  71  -1.728 -13.603  -6.402
  467    HD1  TYR  71           HD1      TYR  71  -3.636 -13.703  -4.728
  468    HD2  TYR  71           HD2      TYR  71  -3.997 -14.983  -8.753
  469    HE1  TYR  71           HE1      TYR  71  -5.565 -15.058  -4.091
  470    HE2  TYR  71           HE2      TYR  71  -5.941 -16.352  -8.164
  471    HH   TYR  71           HH       TYR  71  -7.635 -16.509  -6.432
  472    H    CYS  72           HN       CYS  72  -1.909 -11.088  -4.983
  473    HA   CYS  72           HA       CYS  72  -0.075  -9.161  -5.879
  474    HB2  CYS  72           HB2      CYS  72  -0.767 -10.491  -3.349
  475    HB3  CYS  72           HB1      CYS  72   0.906  -9.953  -3.446
  476    H    THR  73           HN       THR  73   2.314  -9.296  -5.447
  477    HA   THR  73           HA       THR  73   3.348 -11.971  -6.110
  478    HB   THR  73           HB       THR  73   4.853 -11.077  -7.691
  479    HG1  THR  73           HG1      THR  73   5.702  -9.242  -7.136
  480   HG21  THR  73          HG21      THR  73   2.825  -9.153  -8.480
  481   HG22  THR  73          HG22      THR  73   2.164 -10.741  -8.086
  482   HG23  THR  73          HG23      THR  73   3.419 -10.587  -9.317
  483    H    GLY  74           HN       GLY  74   3.250  -9.740  -3.756
  484    HA2  GLY  74           HA2      GLY  74   4.547  -9.257  -1.931
  485    HA3  GLY  74           HA1      GLY  74   5.299 -10.817  -2.224
  486    H    LYS  75           HN       LYS  75   5.467  -8.320  -4.643
  487    HA   LYS  75           HA       LYS  75   8.093  -7.452  -3.750
  488    HB2  LYS  75           HB2      LYS  75   7.713  -8.780  -6.437
  489    HB3  LYS  75           HB1      LYS  75   9.198  -8.045  -5.847
  490    HG2  LYS  75           HG2      LYS  75   9.070  -9.722  -3.933
  491    HG3  LYS  75           HG1      LYS  75   7.852 -10.551  -4.903
  492    HD2  LYS  75           HD2      LYS  75   9.883 -10.101  -6.706
  493    HD3  LYS  75           HD1      LYS  75  10.750 -10.459  -5.212
  494    HE2  LYS  75           HE2      LYS  75   8.825 -12.173  -6.739
  495    HE3  LYS  75           HE1      LYS  75  10.460 -12.552  -6.197
  496    HZ1  LYS  75           HZ1      LYS  75   7.954 -12.527  -4.653
  497    HZ2  LYS  75           HZ2      LYS  75   9.427 -12.278  -3.860
  498    HZ3  LYS  75           HZ3      LYS  75   9.161 -13.712  -4.715
  499    H    SER  76           HN       SER  76   5.300  -6.383  -4.474
  500    HA   SER  76           HA       SER  76   6.173  -3.896  -5.476
  501    HB2  SER  76           HB2      SER  76   6.096  -5.552  -7.540
  502    HB3  SER  76           HB1      SER  76   4.372  -5.186  -7.480
  503    HG   SER  76           HG       SER  76   4.832  -3.033  -7.784
  504    H    SER  77           HN       SER  77   4.334  -2.408  -5.934
  505    HA   SER  77           HA       SER  77   2.195  -2.921  -4.030
  506    HB2  SER  77           HB2      SER  77   1.611  -0.484  -4.623
  507    HB3  SER  77           HB1      SER  77   3.126  -0.766  -3.768
  508    HG   SER  77           HG       SER  77   2.681   0.097  -6.363
  509    H    ASP  78           HN       ASP  78   2.527  -3.918  -7.016
  510    HA   ASP  78           HA       ASP  78  -0.197  -3.177  -7.856
  511    HB2  ASP  78           HB2      ASP  78   2.312  -3.696  -9.386
  512    HB3  ASP  78           HB1      ASP  78   0.776  -4.120 -10.135
  513    H    CYS  79           HN       CYS  79  -1.615  -4.747  -8.524
  514    HA   CYS  79           HA       CYS  79  -0.819  -7.534  -7.959
  515    HB2  CYS  79           HB2      CYS  79  -2.791  -6.000  -6.706
  516    HB3  CYS  79           HB1      CYS  79  -3.678  -7.057  -7.798
  517    HA   PRO  80           HA       PRO  80  -1.927  -7.670 -12.381
  518    HB2  PRO  80           HB2      PRO  80  -0.686 -10.022 -12.892
  519    HB3  PRO  80           HB1      PRO  80   0.182  -8.485 -12.801
  520    HG2  PRO  80           HG2      PRO  80  -0.106 -10.621 -10.721
  521    HG3  PRO  80           HG1      PRO  80   1.342  -9.715 -11.200
  522    HD2  PRO  80           HD2      PRO  80  -0.098  -9.090  -8.996
  523    HD3  PRO  80           HD1      PRO  80   0.747  -7.863  -9.960
  524    H    TRP  81           HN       TRP  81  -3.817  -8.394 -13.099
  525    HA   TRP  81           HA       TRP  81  -5.126 -10.595 -11.723
  526    HB2  TRP  81           HB2      TRP  81  -7.176  -9.860 -12.797
  527    HB3  TRP  81           HB1      TRP  81  -6.389  -8.538 -11.950
  528    HD1  TRP  81           HD1      TRP  81  -4.309  -8.295 -14.704
  529    HE1  TRP  81           HE1      TRP  81  -5.260  -6.838 -16.594
  530    HE3  TRP  81           HE3      TRP  81  -9.208  -8.376 -13.364
  531    HZ2  TRP  81           HZ2      TRP  81  -7.783  -5.850 -17.399
  532    HZ3  TRP  81           HZ3      TRP  81 -10.849  -7.155 -14.742
  533    HH2  TRP  81           HH2      TRP  81 -10.144  -5.919 -16.728
  534    H    ASN  82           HN       ASN  82  -3.468 -10.063 -14.586
  535    HA   ASN  82           HA       ASN  82  -3.013 -11.357 -16.404
  536    HB2  ASN  82           HB2      ASN  82  -4.248 -13.459 -14.620
  537    HB3  ASN  82           HB1      ASN  82  -3.528 -13.823 -16.184
  538   HD21  ASN  82          HD21      ASN  82  -2.974 -13.294 -12.888
  539   HD22  ASN  82          HD22      ASN  82  -1.248 -13.353 -12.919
  540    H    HIS  83           HN       HIS  83  -4.251 -10.497 -17.997
  541    HA   HIS  83           HA       HIS  83  -6.545 -11.996 -18.842
  542    HB2  HIS  83           HB2      HIS  83  -6.859  -9.276 -17.629
  543    HB3  HIS  83           HB1      HIS  83  -7.923  -9.767 -18.945
  544    HD1  HIS  83           HD1      HIS  83  -9.382 -11.952 -18.488
  545    HD2  HIS  83           HD2      HIS  83  -7.511 -10.297 -15.169
  546    HE1  HIS  83           HE1      HIS  83 -10.515 -12.977 -16.497
  547    HE2  HIS  83           HE2      HIS  83  -9.313 -12.025 -14.499
  Start of MODEL   20
    1    H1   SER   1           HT1      SER   1 -10.383  21.535  15.252
    2    H2   SER   1           HT2      SER   1  -9.091  21.872  16.330
    3    H3   SER   1           HT3      SER   1  -9.747  20.288  16.242
    4    HA   SER   1           HA       SER   1  -9.059  20.234  13.892
    5    HB2  SER   1           HB2      SER   1  -8.078  22.902  14.762
    6    HB3  SER   1           HB1      SER   1  -7.006  21.970  13.718
    7    HG   SER   1           HG       SER   1  -8.471  23.311  12.546
    8    HA   PRO   2           HA       PRO   2  -6.390  17.944  16.954
    9    HB2  PRO   2           HB2      PRO   2  -6.785  15.981  14.744
   10    HB3  PRO   2           HB1      PRO   2  -6.849  15.735  16.493
   11    HG2  PRO   2           HG2      PRO   2  -9.087  15.829  15.057
   12    HG3  PRO   2           HG1      PRO   2  -9.006  16.572  16.665
   13    HD2  PRO   2           HD2      PRO   2  -8.959  17.862  13.975
   14    HD3  PRO   2           HD1      PRO   2  -9.688  18.433  15.490
   15    HA   PRO   3           HA       PRO   3  -2.589  18.654  14.793
   16    HB2  PRO   3           HB2      PRO   3  -0.958  16.895  16.047
   17    HB3  PRO   3           HB1      PRO   3  -1.536  18.377  16.818
   18    HG2  PRO   3           HG2      PRO   3  -2.551  15.574  17.101
   19    HG3  PRO   3           HG1      PRO   3  -2.280  16.798  18.356
   20    HD2  PRO   3           HD2      PRO   3  -4.735  16.265  17.346
   21    HD3  PRO   3           HD1      PRO   3  -4.263  17.882  17.904
   22    H    VAL   4           HN       VAL   4  -1.934  18.034  12.855
   23    HA   VAL   4           HA       VAL   4  -1.705  15.236  12.233
   24    HB   VAL   4           HB       VAL   4  -3.936  16.205  11.492
   25   HG11  VAL   4          HG11      VAL   4  -2.270  17.568   9.398
   26   HG12  VAL   4          HG12      VAL   4  -3.032  18.386  10.758
   27   HG13  VAL   4          HG13      VAL   4  -4.025  17.582   9.542
   28   HG21  VAL   4          HG21      VAL   4  -2.805  14.159  10.584
   29   HG22  VAL   4          HG22      VAL   4  -2.263  15.163   9.240
   30   HG23  VAL   4          HG23      VAL   4  -3.986  14.927   9.527
   31    H    CYS   5           HN       CYS   5   0.497  15.431  12.349
   32    HA   CYS   5           HA       CYS   5   2.001  17.543  11.234
   33    HB2  CYS   5           HB2      CYS   5   3.920  15.794  11.397
   34    HB3  CYS   5           HB1      CYS   5   3.150  16.346  12.879
   35    H    GLY   6           HN       GLY   6   1.599  17.971   9.148
   36    HA2  GLY   6           HA2      GLY   6   2.466  17.675   6.928
   37    HA3  GLY   6           HA1      GLY   6   2.436  15.936   7.192
   38    H    ASN   7           HN       ASN   7  -0.285  17.648   8.349
   39    HA   ASN   7           HA       ASN   7  -2.469  17.702   7.756
   40    HB2  ASN   7           HB2      ASN   7  -1.091  17.971   5.113
   41    HB3  ASN   7           HB1      ASN   7  -2.828  17.671   5.120
   42   HD21  ASN   7          HD21      ASN   7  -4.049  19.124   6.689
   43   HD22  ASN   7          HD22      ASN   7  -3.610  20.795   6.674
   44    H    LYS   8           HN       LYS   8  -3.913  16.106   7.920
   45    HA   LYS   8           HA       LYS   8  -3.379  13.442   7.805
   46    HB2  LYS   8           HB2      LYS   8  -5.602  14.896   8.363
   47    HB3  LYS   8           HB1      LYS   8  -6.092  14.138   6.854
   48    HG2  LYS   8           HG2      LYS   8  -4.974  12.563   9.152
   49    HG3  LYS   8           HG1      LYS   8  -6.693  12.930   8.996
   50    HD2  LYS   8           HD2      LYS   8  -6.175  11.977   6.525
   51    HD3  LYS   8           HD1      LYS   8  -5.003  11.056   7.469
   52    HE2  LYS   8           HE2      LYS   8  -7.065  10.666   9.047
   53    HE3  LYS   8           HE1      LYS   8  -7.982  11.036   7.588
   54    HZ1  LYS   8           HZ1      LYS   8  -6.281   8.736   8.183
   55    HZ2  LYS   8           HZ2      LYS   8  -6.307   9.287   6.584
   56    HZ3  LYS   8           HZ3      LYS   8  -7.744   8.808   7.336
   57    H    ILE   9           HN       ILE   9  -2.263  12.579   6.117
   58    HA   ILE   9           HA       ILE   9  -2.424  13.277   3.466
   59    HB   ILE   9           HB       ILE   9  -1.840  10.881   2.861
   60   HG12  ILE   9          HG12      ILE   9  -0.910   9.667   4.956
   61   HG13  ILE   9          HG11      ILE   9  -2.089  10.635   5.839
   62   HG21  ILE   9          HG21      ILE   9  -0.184  12.605   3.093
   63   HG22  ILE   9          HG22      ILE   9   0.427  11.119   3.822
   64   HG23  ILE   9          HG23      ILE   9  -0.192  12.410   4.842
   65   HD11  ILE   9          HD11      ILE   9  -3.693   9.212   5.302
   66   HD12  ILE   9          HD12      ILE   9  -2.486   8.197   4.513
   67   HD13  ILE   9          HD13      ILE   9  -3.351   9.422   3.585
   68    H    LEU  10           HN       LEU  10  -3.891  13.298   1.991
   69    HA   LEU  10           HA       LEU  10  -6.404  11.953   2.466
   70    HB2  LEU  10           HB2      LEU  10  -7.158  13.315   0.489
   71    HB3  LEU  10           HB1      LEU  10  -6.627  14.224   1.891
   72    HG   LEU  10           HG       LEU  10  -5.913  14.949  -0.518
   73   HD11  LEU  10          HD11      LEU  10  -4.952  16.387   0.876
   74   HD12  LEU  10          HD12      LEU  10  -3.513  15.375   0.750
   75   HD13  LEU  10          HD13      LEU  10  -4.642  15.140   2.084
   76   HD21  LEU  10          HD21      LEU  10  -3.705  14.089  -1.155
   77   HD22  LEU  10          HD22      LEU  10  -4.954  12.847  -1.226
   78   HD23  LEU  10          HD23      LEU  10  -3.820  12.878   0.123
   79    H    GLU  11           HN       GLU  11  -3.761  10.776   1.313
   80    HA   GLU  11           HA       GLU  11  -4.814   8.621  -0.040
   81    HB2  GLU  11           HB2      GLU  11  -4.358   9.064  -2.388
   82    HB3  GLU  11           HB1      GLU  11  -5.510  10.238  -1.772
   83    HG2  GLU  11           HG2      GLU  11  -4.205  11.794  -2.663
   84    HG3  GLU  11           HG1      GLU  11  -3.075  11.454  -1.350
   85    H    GLN  12           HN       GLN  12  -2.662   9.188   1.764
   86    HA   GLN  12           HA       GLN  12  -0.394   8.274   0.129
   87    HB2  GLN  12           HB2      GLN  12  -0.107   9.776   2.715
   88    HB3  GLN  12           HB1      GLN  12   1.137   9.423   1.534
   89    HG2  GLN  12           HG2      GLN  12  -1.181  11.310   1.179
   90    HG3  GLN  12           HG1      GLN  12   0.505  11.753   1.447
   91   HE21  GLN  12          HE21      GLN  12   0.444  12.962  -0.480
   92   HE22  GLN  12          HE22      GLN  12   0.550  12.193  -2.024
   93    H    GLY  13           HN       GLY  13  -0.477   8.401   3.652
   94    HA2  GLY  13           HA2      GLY  13  -0.476   6.712   5.230
   95    HA3  GLY  13           HA1      GLY  13  -1.017   5.602   3.977
   96    H    GLU  14           HN       GLU  14   1.765   7.521   3.392
   97    HA   GLU  14           HA       GLU  14   3.981   6.488   4.365
   98    HB2  GLU  14           HB2      GLU  14   2.686   4.366   2.754
   99    HB3  GLU  14           HB1      GLU  14   4.402   4.609   2.468
  100    HG2  GLU  14           HG2      GLU  14   4.984   3.676   4.399
  101    HG3  GLU  14           HG1      GLU  14   3.707   4.498   5.294
  102    H    ASP  15           HN       ASP  15   2.215   7.353   1.569
  103    HA   ASP  15           HA       ASP  15   4.199   7.700  -0.336
  104    HB2  ASP  15           HB2      ASP  15   1.519   8.172  -0.210
  105    HB3  ASP  15           HB1      ASP  15   2.149   9.814  -0.211
  106    H    CYS  16           HN       CYS  16   2.843  10.243   1.777
  107    HA   CYS  16           HA       CYS  16   5.188  11.288   2.746
  108    HB2  CYS  16           HB2      CYS  16   6.164  11.921   0.784
  109    HB3  CYS  16           HB1      CYS  16   4.626  12.087  -0.052
  110    H    ASP  17           HN       ASP  17   4.791  12.899   4.150
  111    HA   ASP  17           HA       ASP  17   3.724  14.514   5.336
  112    HB2  ASP  17           HB2      ASP  17   3.013  15.092   2.718
  113    HB3  ASP  17           HB1      ASP  17   1.464  14.998   3.552
  114    H    CYS  18           HN       CYS  18   3.157  11.783   5.665
  115    HA   CYS  18           HA       CYS  18   0.742  10.709   5.749
  116    HB2  CYS  18           HB2      CYS  18   2.245  10.850   8.353
  117    HB3  CYS  18           HB1      CYS  18   1.269   9.532   7.722
  118    H    GLY  19           HN       GLY  19   1.618  13.509   7.707
  119    HA2  GLY  19           HA2      GLY  19   0.237  15.028   8.786
  120    HA3  GLY  19           HA1      GLY  19  -1.111  14.250   7.982
  121    H    SER  20           HN       SER  20  -1.785  12.120   8.881
  122    HA   SER  20           HA       SER  20  -2.542  12.405  11.502
  123    HB2  SER  20           HB2      SER  20  -3.450  10.273  11.394
  124    HB3  SER  20           HB1      SER  20  -3.408  10.783   9.709
  125    HG   SER  20           HG       SER  20  -1.719   9.451   9.331
  126    HA   PRO  21           HA       PRO  21   1.434  12.049  13.485
  127    HB2  PRO  21           HB2      PRO  21  -0.453  12.028  15.799
  128    HB3  PRO  21           HB1      PRO  21   1.025  12.970  15.562
  129    HG2  PRO  21           HG2      PRO  21  -1.348  14.114  15.244
  130    HG3  PRO  21           HG1      PRO  21  -0.017  14.487  14.131
  131    HD2  PRO  21           HD2      PRO  21  -2.405  12.743  13.707
  132    HD3  PRO  21           HD1      PRO  21  -1.572  13.800  12.554
  133    H    ALA  22           HN       ALA  22  -1.316   9.937  13.826
  134    HA   ALA  22           HA       ALA  22  -0.284   8.008  15.550
  135    HB1  ALA  22           HB1      ALA  22  -2.586   8.266  14.120
  136    HB2  ALA  22           HB2      ALA  22  -2.111   6.815  15.004
  137    HB3  ALA  22           HB3      ALA  22  -1.795   6.936  13.273
  138    H    ASN  23           HN       ASN  23   0.631   8.870  12.354
  139    HA   ASN  23           HA       ASN  23   2.418   6.539  12.212
  140    HB2  ASN  23           HB2      ASN  23   0.430   7.368  10.375
  141    HB3  ASN  23           HB1      ASN  23   1.983   7.712   9.626
  142   HD21  ASN  23          HD21      ASN  23   3.446   5.609  10.819
  143   HD22  ASN  23          HD22      ASN  23   2.887   4.123  10.141
  144    H    CYS  24           HN       CYS  24   2.697   9.434  13.239
  145    HA   CYS  24           HA       CYS  24   4.552  10.690  11.456
  146    HB2  CYS  24           HB2      CYS  24   3.084  11.539  13.627
  147    HB3  CYS  24           HB1      CYS  24   4.716  11.496  14.274
  148    H    GLN  25           HN       GLN  25   6.021   8.925  11.097
  149    HA   GLN  25           HA       GLN  25   7.995   7.833  11.391
  150    HB2  GLN  25           HB2      GLN  25   8.504   9.732  13.681
  151    HB3  GLN  25           HB1      GLN  25   9.696   8.881  12.710
  152    HG2  GLN  25           HG2      GLN  25   9.575  10.360  11.008
  153    HG3  GLN  25           HG1      GLN  25   7.861  10.685  11.264
  154   HE21  GLN  25          HE21      GLN  25  11.104  11.391  12.383
  155   HE22  GLN  25          HE22      GLN  25  10.718  12.886  13.158
  156    H    ASP  26           HN       ASP  26   6.578   6.058  12.139
  157    HA   ASP  26           HA       ASP  26   7.506   5.087  14.698
  158    HB2  ASP  26           HB2      ASP  26   4.677   5.917  14.227
  159    HB3  ASP  26           HB1      ASP  26   4.973   4.476  15.195
  160    H    ARG  27           HN       ARG  27   4.714   4.256  12.651
  161    HA   ARG  27           HA       ARG  27   5.440   1.492  12.629
  162    HB2  ARG  27           HB2      ARG  27   3.166   3.098  11.846
  163    HB3  ARG  27           HB1      ARG  27   3.544   1.913  10.604
  164    HG2  ARG  27           HG2      ARG  27   3.199   1.218  13.509
  165    HG3  ARG  27           HG1      ARG  27   1.890   1.171  12.326
  166    HD2  ARG  27           HD2      ARG  27   2.620  -1.017  12.306
  167    HD3  ARG  27           HD1      ARG  27   3.534  -0.321  10.969
  168    HE   ARG  27           HE       ARG  27   5.460  -0.688  12.145
  169   HH11  ARG  27          HH11      ARG  27   2.753  -0.904  14.337
  170   HH12  ARG  27          HH12      ARG  27   3.711  -1.467  15.664
  171   HH21  ARG  27          HH21      ARG  27   6.723  -1.428  13.890
  172   HH22  ARG  27          HH22      ARG  27   5.965  -1.764  15.411
  173    H    CYS  28           HN       CYS  28   4.634   3.319   9.703
  174    HA   CYS  28           HA       CYS  28   7.240   2.798   8.545
  175    HB2  CYS  28           HB2      CYS  28   4.748   1.650   7.275
  176    HB3  CYS  28           HB1      CYS  28   6.385   1.549   6.638
  177    H    CYS  29           HN       CYS  29   5.405   5.101   9.198
  178    HA   CYS  29           HA       CYS  29   5.374   6.318   6.509
  179    HB2  CYS  29           HB2      CYS  29   3.106   5.674   7.671
  180    HB3  CYS  29           HB1      CYS  29   3.404   7.127   8.614
  181    H    ASN  30           HN       ASN  30   6.061   8.379   6.307
  182    HA   ASN  30           HA       ASN  30   7.160   9.657   8.722
  183    HB2  ASN  30           HB2      ASN  30   8.169   9.527   5.902
  184    HB3  ASN  30           HB1      ASN  30   8.608  10.868   6.937
  185   HD21  ASN  30          HD21      ASN  30   8.793   9.550   9.362
  186   HD22  ASN  30          HD22      ASN  30  10.132   8.464   9.312
  187    H    ALA  31           HN       ALA  31   5.533  10.911   9.306
  188    HA   ALA  31           HA       ALA  31   4.118  12.584   7.422
  189    HB1  ALA  31           HB1      ALA  31   3.691  13.406  10.124
  190    HB2  ALA  31           HB2      ALA  31   3.645  11.647  10.055
  191    HB3  ALA  31           HB3      ALA  31   2.569  12.597   9.035
  192    H    ALA  32           HN       ALA  32   6.878  12.685   9.433
  193    HA   ALA  32           HA       ALA  32   7.127  15.603   9.163
  194    HB1  ALA  32           HB1      ALA  32   8.823  15.457  10.888
  195    HB2  ALA  32           HB2      ALA  32   8.719  13.696  10.872
  196    HB3  ALA  32           HB3      ALA  32   7.345  14.657  11.425
  197    H    THR  33           HN       THR  33   8.003  12.839   7.563
  198    HA   THR  33           HA       THR  33  10.457  14.092   6.547
  199    HB   THR  33           HB       THR  33  10.413  11.235   6.134
  200    HG1  THR  33           HG1      THR  33  10.762  10.850   8.473
  201   HG21  THR  33          HG21      THR  33  12.571  11.293   6.925
  202   HG22  THR  33          HG22      THR  33  12.254  12.676   7.973
  203   HG23  THR  33          HG23      THR  33  12.370  12.900   6.227
  204    H    CYS  34           HN       CYS  34   7.377  13.500   5.736
  205    HA   CYS  34           HA       CYS  34   6.221  13.282   3.797
  206    HB2  CYS  34           HB2      CYS  34   7.147  15.378   3.272
  207    HB3  CYS  34           HB1      CYS  34   8.729  14.693   2.931
  208    H    LYS  35           HN       LYS  35   7.205  10.826   4.430
  209    HA   LYS  35           HA       LYS  35   7.175   9.512   1.954
  210    HB2  LYS  35           HB2      LYS  35   9.647  10.598   2.354
  211    HB3  LYS  35           HB1      LYS  35   9.858   8.976   2.998
  212    HG2  LYS  35           HG2      LYS  35  10.315   8.412   0.889
  213    HG3  LYS  35           HG1      LYS  35   8.567   8.468   0.658
  214    HD2  LYS  35           HD2      LYS  35   8.817  10.104  -0.825
  215    HD3  LYS  35           HD1      LYS  35   9.559  11.116   0.415
  216    HE2  LYS  35           HE2      LYS  35  11.728   9.939  -0.083
  217    HE3  LYS  35           HE1      LYS  35  10.925   9.213  -1.475
  218    HZ1  LYS  35           HZ1      LYS  35  11.997  11.096  -2.303
  219    HZ2  LYS  35           HZ2      LYS  35  11.537  12.065  -0.996
  220    HZ3  LYS  35           HZ3      LYS  35  10.386  11.587  -2.139
  221    H    LEU  36           HN       LEU  36   8.205   7.193   2.212
  222    HA   LEU  36           HA       LEU  36   6.982   6.075   4.616
  223    HB2  LEU  36           HB2      LEU  36   7.272   3.907   3.526
  224    HB3  LEU  36           HB1      LEU  36   6.436   5.033   2.474
  225    HG   LEU  36           HG       LEU  36   9.378   4.836   2.153
  226   HD11  LEU  36          HD11      LEU  36   8.543   2.883   0.455
  227   HD12  LEU  36          HD12      LEU  36   7.559   2.556   1.882
  228   HD13  LEU  36          HD13      LEU  36   9.317   2.600   2.015
  229   HD21  LEU  36          HD21      LEU  36   8.650   6.208   0.533
  230   HD22  LEU  36          HD22      LEU  36   6.999   5.592   0.610
  231   HD23  LEU  36          HD23      LEU  36   8.228   4.712  -0.300
  232    H    THR  37           HN       THR  37   8.153   4.785   6.112
  233    HA   THR  37           HA       THR  37  10.955   5.527   6.265
  234    HB   THR  37           HB       THR  37  10.820   4.406   8.520
  235    HG1  THR  37           HG1      THR  37   8.794   3.850   9.259
  236   HG21  THR  37          HG21      THR  37  10.546   6.774   8.411
  237   HG22  THR  37          HG22      THR  37   9.362   6.109   9.537
  238   HG23  THR  37          HG23      THR  37   8.862   6.598   7.916
  239    HA   PRO  38           HA       PRO  38  13.240   1.990   5.064
  240    HB2  PRO  38           HB2      PRO  38  13.857   1.732   7.990
  241    HB3  PRO  38           HB1      PRO  38  14.947   1.593   6.603
  242    HG2  PRO  38           HG2      PRO  38  14.874   3.833   8.017
  243    HG3  PRO  38           HG1      PRO  38  14.993   3.893   6.248
  244    HD2  PRO  38           HD2      PRO  38  12.686   4.509   8.009
  245    HD3  PRO  38           HD1      PRO  38  13.090   5.156   6.408
  246    H    GLY  39           HN       GLY  39  12.991  -0.204   4.889
  247    HA2  GLY  39           HA2      GLY  39  12.256  -2.348   5.494
  248    HA3  GLY  39           HA1      GLY  39  11.411  -1.647   6.866
  249    H    SER  40           HN       SER  40  10.372   0.394   4.735
  250    HA   SER  40           HA       SER  40   7.973  -1.127   4.162
  251    HB2  SER  40           HB2      SER  40   7.763   1.144   5.089
  252    HB3  SER  40           HB1      SER  40   8.600   1.794   3.680
  253    HG   SER  40           HG       SER  40   6.233   1.860   3.633
  254    H    GLN  41           HN       GLN  41   7.976  -2.341   2.385
  255    HA   GLN  41           HA       GLN  41   9.659  -1.808   0.144
  256    HB2  GLN  41           HB2      GLN  41   7.294  -3.675   0.134
  257    HB3  GLN  41           HB1      GLN  41   8.769  -3.785  -0.815
  258    HG2  GLN  41           HG2      GLN  41  10.004  -4.149   1.344
  259    HG3  GLN  41           HG1      GLN  41   8.430  -4.300   2.125
  260   HE21  GLN  41          HE21      GLN  41  10.427  -5.629  -0.464
  261   HE22  GLN  41          HE22      GLN  41   9.784  -7.231  -0.382
  262    H    CYS  42           HN       CYS  42   6.335  -1.127   0.953
  263    HA   CYS  42           HA       CYS  42   6.144   0.614  -1.365
  264    HB2  CYS  42           HB2      CYS  42   5.274  -1.526  -2.191
  265    HB3  CYS  42           HB1      CYS  42   4.130  -1.584  -0.855
  266    H    ASN  43           HN       ASN  43   4.860   2.361  -1.040
  267    HA   ASN  43           HA       ASN  43   4.085   2.936   1.643
  268    HB2  ASN  43           HB2      ASN  43   3.183   5.064   0.607
  269    HB3  ASN  43           HB1      ASN  43   4.895   4.761   0.328
  270   HD21  ASN  43          HD21      ASN  43   5.539   5.140  -1.652
  271   HD22  ASN  43          HD22      ASN  43   4.581   5.007  -3.084
  272    H    TYR  44           HN       TYR  44   2.410   2.096  -1.320
  273    HA   TYR  44           HA       TYR  44   0.217   0.924  -0.045
  274    HB2  TYR  44           HB2      TYR  44  -1.551   2.515  -0.372
  275    HB3  TYR  44           HB1      TYR  44  -0.273   3.326   0.528
  276    HD1  TYR  44           HD1      TYR  44  -1.549   2.853  -2.942
  277    HD2  TYR  44           HD2      TYR  44   0.547   5.366  -0.223
  278    HE1  TYR  44           HE1      TYR  44  -1.485   4.620  -4.642
  279    HE2  TYR  44           HE2      TYR  44   0.618   7.149  -1.909
  280    HH   TYR  44           HH       TYR  44   0.514   7.285  -4.452
  281    H    GLY  45           HN       GLY  45  -1.589   0.467  -1.641
  282    HA2  GLY  45           HA2      GLY  45  -1.950   0.779  -4.182
  283    HA3  GLY  45           HA1      GLY  45  -0.360   0.037  -4.277
  284    H    GLU  46           HN       GLU  46  -1.833  -1.404  -5.652
  285    HA   GLU  46           HA       GLU  46  -3.710  -3.129  -4.517
  286    HB2  GLU  46           HB2      GLU  46  -1.897  -3.322  -6.896
  287    HB3  GLU  46           HB1      GLU  46  -2.882  -4.699  -6.424
  288    HG2  GLU  46           HG2      GLU  46  -4.808  -3.736  -7.088
  289    HG3  GLU  46           HG1      GLU  46  -4.281  -2.115  -6.639
  290    H    CYS  47           HN       CYS  47  -0.212  -3.527  -4.907
  291    HA   CYS  47           HA       CYS  47  -0.311  -5.954  -3.252
  292    HB2  CYS  47           HB2      CYS  47   1.568  -4.884  -5.304
  293    HB3  CYS  47           HB1      CYS  47   2.231  -5.903  -4.035
  294    H    CYS  48           HN       CYS  48  -0.649  -3.391  -1.979
  295    HA   CYS  48           HA       CYS  48   1.797  -3.411  -0.351
  296    HB2  CYS  48           HB2      CYS  48   0.363  -0.843  -0.945
  297    HB3  CYS  48           HB1      CYS  48   1.995  -1.077  -0.329
  298    H    ASP  49           HN       ASP  49   1.394  -3.816   1.671
  299    HA   ASP  49           HA       ASP  49  -1.034  -2.768   2.930
  300    HB2  ASP  49           HB2      ASP  49  -1.081  -5.317   2.194
  301    HB3  ASP  49           HB1      ASP  49  -0.144  -5.524   3.670
  302    H    GLN  50           HN       GLN  50  -0.532  -1.711   4.741
  303    HA   GLN  50           HA       GLN  50   0.563  -1.020   6.616
  304    HB2  GLN  50           HB2      GLN  50   0.695  -3.724   6.794
  305    HB3  GLN  50           HB1      GLN  50   2.408  -3.328   6.747
  306    HG2  GLN  50           HG2      GLN  50   2.168  -3.144   8.964
  307    HG3  GLN  50           HG1      GLN  50   1.551  -1.540   8.571
  308   HE21  GLN  50          HE21      GLN  50   0.705  -4.797   9.481
  309   HE22  GLN  50          HE22      GLN  50  -0.906  -4.446   9.998
  310    H    CYS  51           HN       CYS  51   3.063  -2.903   4.916
  311    HA   CYS  51           HA       CYS  51   4.357  -0.778   3.689
  312    HB2  CYS  51           HB2      CYS  51   6.441  -0.922   5.358
  313    HB3  CYS  51           HB1      CYS  51   5.170   0.278   5.535
  314    H    ARG  52           HN       ARG  52   3.704  -3.430   3.098
  315    HA   ARG  52           HA       ARG  52   6.259  -4.359   2.147
  316    HB2  ARG  52           HB2      ARG  52   4.678  -5.986   4.139
  317    HB3  ARG  52           HB1      ARG  52   5.913  -6.676   3.093
  318    HG2  ARG  52           HG2      ARG  52   7.412  -4.797   4.114
  319    HG3  ARG  52           HG1      ARG  52   6.205  -4.818   5.402
  320    HD2  ARG  52           HD2      ARG  52   8.030  -6.299   5.964
  321    HD3  ARG  52           HD1      ARG  52   6.567  -7.237   5.667
  322    HE   ARG  52           HE       ARG  52   8.259  -6.965   3.359
  323   HH11  ARG  52          HH11      ARG  52   7.622  -8.833   6.237
  324   HH12  ARG  52          HH12      ARG  52   8.376 -10.266   5.625
  325   HH21  ARG  52          HH21      ARG  52   9.251  -8.849   2.552
  326   HH22  ARG  52          HH22      ARG  52   9.301 -10.276   3.533
  327    H    PHE  53           HN       PHE  53   6.075  -5.886   0.442
  328    HA   PHE  53           HA       PHE  53   3.736  -5.621  -1.101
  329    HB2  PHE  53           HB2      PHE  53   6.120  -7.446  -1.366
  330    HB3  PHE  53           HB1      PHE  53   4.779  -7.483  -2.510
  331    HD1  PHE  53           HD1      PHE  53   4.210  -4.512  -2.498
  332    HD2  PHE  53           HD2      PHE  53   7.828  -6.718  -2.831
  333    HE1  PHE  53           HE1      PHE  53   5.200  -2.668  -3.753
  334    HE2  PHE  53           HE2      PHE  53   8.840  -4.862  -4.093
  335    HZ   PHE  53           HZ       PHE  53   7.527  -2.829  -4.558
  336    H    LYS  54           HN       LYS  54   2.008  -6.894  -1.441
  337    HA   LYS  54           HA       LYS  54   1.218  -8.670   0.604
  338    HB2  LYS  54           HB2      LYS  54   0.146  -7.943  -2.091
  339    HB3  LYS  54           HB1      LYS  54  -0.517  -9.349  -1.269
  340    HG2  LYS  54           HG2      LYS  54  -1.367  -8.074   0.486
  341    HG3  LYS  54           HG1      LYS  54  -0.337  -6.693   0.103
  342    HD2  LYS  54           HD2      LYS  54  -1.758  -5.909  -1.463
  343    HD3  LYS  54           HD1      LYS  54  -2.164  -7.524  -2.048
  344    HE2  LYS  54           HE2      LYS  54  -3.563  -7.830  -0.006
  345    HE3  LYS  54           HE1      LYS  54  -3.255  -6.142   0.399
  346    HZ1  LYS  54           HZ1      LYS  54  -4.346  -5.454  -1.602
  347    HZ2  LYS  54           HZ2      LYS  54  -5.380  -6.501  -0.768
  348    HZ3  LYS  54           HZ3      LYS  54  -4.530  -7.053  -2.123
  349    H    LYS  55           HN       LYS  55   2.252 -10.535   0.979
  350    HA   LYS  55           HA       LYS  55   3.925 -12.015  -0.476
  351    HB2  LYS  55           HB2      LYS  55   3.227 -12.592   1.812
  352    HB3  LYS  55           HB1      LYS  55   1.695 -13.192   1.193
  353    HG2  LYS  55           HG2      LYS  55   2.770 -14.985   0.051
  354    HG3  LYS  55           HG1      LYS  55   4.367 -14.313   0.388
  355    HD2  LYS  55           HD2      LYS  55   3.398 -14.525   2.895
  356    HD3  LYS  55           HD1      LYS  55   2.555 -15.868   2.121
  357    HE2  LYS  55           HE2      LYS  55   4.802 -16.601   1.233
  358    HE3  LYS  55           HE1      LYS  55   5.523 -15.406   2.309
  359    HZ1  LYS  55           HZ1      LYS  55   5.245 -17.841   3.093
  360    HZ2  LYS  55           HZ2      LYS  55   3.643 -17.390   3.395
  361    HZ3  LYS  55           HZ3      LYS  55   4.909 -16.579   4.169
  362    H    ALA  56           HN       ALA  56   3.959 -13.057  -2.355
  363    HA   ALA  56           HA       ALA  56   2.099 -13.005  -4.292
  364    HB1  ALA  56           HB1      ALA  56   4.237 -14.984  -3.695
  365    HB2  ALA  56           HB2      ALA  56   4.077 -13.864  -5.049
  366    HB3  ALA  56           HB3      ALA  56   3.095 -15.330  -4.995
  367    H    GLY  57           HN       GLY  57   0.160 -13.828  -4.681
  368    HA2  GLY  57           HA2      GLY  57  -1.262 -15.851  -4.680
  369    HA3  GLY  57           HA1      GLY  57  -0.707 -16.134  -3.035
  370    H    THR  58           HN       THR  58  -0.905 -12.992  -2.912
  371    HA   THR  58           HA       THR  58  -3.483 -12.977  -1.655
  372    HB   THR  58           HB       THR  58  -1.527 -10.738  -2.238
  373    HG1  THR  58           HG1      THR  58  -2.013 -12.354   0.033
  374   HG21  THR  58          HG21      THR  58  -4.182 -10.454  -1.531
  375   HG22  THR  58          HG22      THR  58  -2.899  -9.250  -1.358
  376   HG23  THR  58          HG23      THR  58  -3.301 -10.313  -0.008
  377    H    VAL  59           HN       VAL  59  -5.260 -13.000  -2.908
  378    HA   VAL  59           HA       VAL  59  -5.314 -12.065  -5.570
  379    HB   VAL  59           HB       VAL  59  -6.884 -13.777  -4.791
  380   HG11  VAL  59          HG11      VAL  59  -8.681 -11.871  -3.460
  381   HG12  VAL  59          HG12      VAL  59  -7.206 -12.263  -2.577
  382   HG13  VAL  59          HG13      VAL  59  -8.309 -13.549  -3.066
  383   HG21  VAL  59          HG21      VAL  59  -8.764 -11.619  -5.486
  384   HG22  VAL  59          HG22      VAL  59  -8.496 -13.184  -6.253
  385   HG23  VAL  59          HG23      VAL  59  -7.403 -11.840  -6.585
  386    H    CYS  60           HN       CYS  60  -5.293 -10.023  -6.239
  387    HA   CYS  60           HA       CYS  60  -6.355  -7.944  -4.452
  388    HB2  CYS  60           HB2      CYS  60  -4.651  -7.545  -6.906
  389    HB3  CYS  60           HB1      CYS  60  -5.030  -6.355  -5.667
  390    H    ARG  61           HN       ARG  61  -6.965  -9.555  -7.423
  391    HA   ARG  61           HA       ARG  61  -9.362  -7.965  -7.823
  392    HB2  ARG  61           HB2      ARG  61  -7.065  -7.337  -9.286
  393    HB3  ARG  61           HB1      ARG  61  -8.038  -8.296 -10.391
  394    HG2  ARG  61           HG2      ARG  61  -9.952  -6.760  -9.898
  395    HG3  ARG  61           HG1      ARG  61  -8.817  -5.742  -9.008
  396    HD2  ARG  61           HD2      ARG  61  -9.041  -6.243 -11.932
  397    HD3  ARG  61           HD1      ARG  61  -8.716  -4.741 -11.067
  398    HE   ARG  61           HE       ARG  61  -6.804  -6.568 -12.093
  399   HH11  ARG  61          HH11      ARG  61  -7.386  -4.301  -9.509
  400   HH12  ARG  61          HH12      ARG  61  -5.705  -4.080  -9.155
  401   HH21  ARG  61          HH21      ARG  61  -4.596  -6.317 -11.602
  402   HH22  ARG  61          HH22      ARG  61  -4.119  -5.218 -10.351
  403    H    ILE  62           HN       ILE  62 -10.375  -8.829 -10.049
  404    HA   ILE  62           HA       ILE  62  -9.970 -11.443 -10.881
  405    HB   ILE  62           HB       ILE  62 -10.613 -12.135  -8.637
  406   HG12  ILE  62          HG12      ILE  62 -12.503 -13.629  -9.240
  407   HG13  ILE  62          HG11      ILE  62 -12.741 -12.692 -10.712
  408   HG21  ILE  62          HG21      ILE  62 -12.510 -11.484  -7.525
  409   HG22  ILE  62          HG22      ILE  62 -13.380 -11.106  -9.014
  410   HG23  ILE  62          HG23      ILE  62 -12.130 -10.011  -8.420
  411   HD11  ILE  62          HD11      ILE  62 -11.531 -14.683 -11.238
  412   HD12  ILE  62          HD12      ILE  62 -10.337 -14.345  -9.985
  413   HD13  ILE  62          HD13      ILE  62 -10.444 -13.305 -11.406
  414    H    ALA  63           HN       ALA  63 -11.161 -11.815 -12.648
  415    HA   ALA  63           HA       ALA  63 -12.693  -9.685 -13.692
  416    HB1  ALA  63           HB1      ALA  63 -13.179 -11.981 -15.256
  417    HB2  ALA  63           HB2      ALA  63 -11.507 -12.065 -14.697
  418    HB3  ALA  63           HB3      ALA  63 -12.073 -10.648 -15.577
  419    H    ARG  64           HN       ARG  64 -14.124 -12.857 -14.086
  420    HA   ARG  64           HA       ARG  64 -16.301 -12.162 -12.274
  421    HB2  ARG  64           HB2      ARG  64 -16.563 -11.556 -14.913
  422    HB3  ARG  64           HB1      ARG  64 -17.223 -13.185 -14.880
  423    HG2  ARG  64           HG2      ARG  64 -19.024 -11.665 -14.588
  424    HG3  ARG  64           HG1      ARG  64 -18.736 -12.455 -13.036
  425    HD2  ARG  64           HD2      ARG  64 -17.338 -10.465 -12.401
  426    HD3  ARG  64           HD1      ARG  64 -17.917  -9.679 -13.869
  427    HE   ARG  64           HE       ARG  64 -19.873  -9.238 -12.790
  428   HH11  ARG  64          HH11      ARG  64 -18.284 -11.868 -11.137
  429   HH12  ARG  64          HH12      ARG  64 -19.446 -11.930  -9.855
  430   HH21  ARG  64          HH21      ARG  64 -21.403  -9.318 -11.104
  431   HH22  ARG  64          HH22      ARG  64 -21.217 -10.483  -9.836
  432    H    GLY  65           HN       GLY  65 -15.536 -13.930 -11.007
  433    HA2  GLY  65           HA2      GLY  65 -16.614 -16.163 -10.625
  434    HA3  GLY  65           HA1      GLY  65 -16.043 -16.564 -12.239
  435    H    ASP  66           HN       ASP  66 -14.074 -17.395 -12.485
  436    HA   ASP  66           HA       ASP  66 -11.842 -16.909 -10.911
  437    HB2  ASP  66           HB2      ASP  66 -13.675 -18.918  -9.806
  438    HB3  ASP  66           HB1      ASP  66 -12.018 -19.490  -9.979
  439    H    TRP  67           HN       TRP  67 -10.841 -16.931 -12.865
  440    HA   TRP  67           HA       TRP  67 -10.530 -19.563 -14.158
  441    HB2  TRP  67           HB2      TRP  67  -9.770 -17.563 -15.998
  442    HB3  TRP  67           HB1      TRP  67 -11.188 -18.602 -16.076
  443    HD1  TRP  67           HD1      TRP  67 -10.262 -15.207 -14.371
  444    HE1  TRP  67           HE1      TRP  67 -12.327 -13.706 -14.477
  445    HE3  TRP  67           HE3      TRP  67 -13.496 -18.453 -16.621
  446    HZ2  TRP  67           HZ2      TRP  67 -14.984 -13.859 -15.412
  447    HZ3  TRP  67           HZ3      TRP  67 -15.790 -17.693 -17.096
  448    HH2  TRP  67           HH2      TRP  67 -16.518 -15.439 -16.501
  449    H    ASN  68           HN       ASN  68  -8.937 -16.430 -14.257
  450    HA   ASN  68           HA       ASN  68  -6.327 -17.732 -13.936
  451    HB2  ASN  68           HB2      ASN  68  -6.665 -14.855 -14.697
  452    HB3  ASN  68           HB1      ASN  68  -5.379 -15.977 -15.134
  453   HD21  ASN  68          HD21      ASN  68  -8.795 -15.249 -15.671
  454   HD22  ASN  68          HD22      ASN  68  -8.862 -15.878 -17.278
  455    H    ASP  69           HN       ASP  69  -8.448 -15.233 -12.721
  456    HA   ASP  69           HA       ASP  69  -8.525 -14.079 -10.772
  457    HB2  ASP  69           HB2      ASP  69  -6.735 -16.357  -9.959
  458    HB3  ASP  69           HB1      ASP  69  -7.204 -15.089  -8.832
  459    H    ASP  70           HN       ASP  70  -7.454 -12.460  -9.641
  460    HA   ASP  70           HA       ASP  70  -4.874 -11.715 -10.792
  461    HB2  ASP  70           HB2      ASP  70  -6.682 -10.052 -10.912
  462    HB3  ASP  70           HB1      ASP  70  -6.849 -10.109  -9.166
  463    H    TYR  71           HN       TYR  71  -3.054 -11.974  -9.650
  464    HA   TYR  71           HA       TYR  71  -3.286 -12.028  -6.726
  465    HB2  TYR  71           HB2      TYR  71  -2.115 -14.131  -8.502
  466    HB3  TYR  71           HB1      TYR  71  -1.577 -13.944  -6.833
  467    HD1  TYR  71           HD1      TYR  71  -3.406 -13.892  -5.051
  468    HD2  TYR  71           HD2      TYR  71  -3.981 -15.430  -8.959
  469    HE1  TYR  71           HE1      TYR  71  -5.320 -15.172  -4.234
  470    HE2  TYR  71           HE2      TYR  71  -5.913 -16.722  -8.185
  471    HH   TYR  71           HH       TYR  71  -7.602 -16.525  -6.223
  472    H    CYS  72           HN       CYS  72  -1.572 -11.460  -5.546
  473    HA   CYS  72           HA       CYS  72   0.299  -9.660  -6.735
  474    HB2  CYS  72           HB2      CYS  72  -0.744  -9.559  -4.388
  475    HB3  CYS  72           HB1      CYS  72   0.453 -10.769  -3.938
  476    H    THR  73           HN       THR  73   2.672  -9.847  -6.327
  477    HA   THR  73           HA       THR  73   3.565 -12.646  -6.548
  478    HB   THR  73           HB       THR  73   5.071 -12.102  -8.257
  479    HG1  THR  73           HG1      THR  73   6.001 -10.255  -7.451
  480   HG21  THR  73          HG21      THR  73   3.776 -11.427  -9.994
  481   HG22  THR  73          HG22      THR  73   3.055 -10.096  -9.088
  482   HG23  THR  73          HG23      THR  73   2.514 -11.751  -8.805
  483    H    GLY  74           HN       GLY  74   3.545 -10.220  -4.464
  484    HA2  GLY  74           HA2      GLY  74   4.880  -9.516  -2.739
  485    HA3  GLY  74           HA1      GLY  74   5.572 -11.128  -2.826
  486    H    LYS  75           HN       LYS  75   5.839  -9.047  -5.585
  487    HA   LYS  75           HA       LYS  75   8.572  -8.302  -4.826
  488    HB2  LYS  75           HB2      LYS  75   7.855  -9.511  -7.500
  489    HB3  LYS  75           HB1      LYS  75   9.452  -8.994  -6.979
  490    HG2  LYS  75           HG2      LYS  75   9.850 -10.926  -5.952
  491    HG3  LYS  75           HG1      LYS  75   8.275 -10.924  -5.159
  492    HD2  LYS  75           HD2      LYS  75   7.867 -12.694  -6.485
  493    HD3  LYS  75           HD1      LYS  75   7.562 -11.468  -7.716
  494    HE2  LYS  75           HE2      LYS  75  10.354 -12.417  -7.304
  495    HE3  LYS  75           HE1      LYS  75   9.222 -13.471  -8.151
  496    HZ1  LYS  75           HZ1      LYS  75  10.270 -10.846  -8.952
  497    HZ2  LYS  75           HZ2      LYS  75   8.744 -11.322  -9.505
  498    HZ3  LYS  75           HZ3      LYS  75  10.104 -12.261  -9.866
  499    H    SER  76           HN       SER  76   5.747  -7.062  -5.479
  500    HA   SER  76           HA       SER  76   6.786  -4.613  -6.474
  501    HB2  SER  76           HB2      SER  76   5.484  -6.481  -8.385
  502    HB3  SER  76           HB1      SER  76   5.046  -4.777  -8.504
  503    HG   SER  76           HG       SER  76   6.988  -4.318  -9.212
  504    H    SER  77           HN       SER  77   5.036  -2.991  -6.849
  505    HA   SER  77           HA       SER  77   2.996  -3.311  -4.802
  506    HB2  SER  77           HB2      SER  77   2.582  -0.875  -5.242
  507    HB3  SER  77           HB1      SER  77   4.237  -1.242  -4.757
  508    HG   SER  77           HG       SER  77   3.274  -0.251  -7.132
  509    H    ASP  78           HN       ASP  78   3.032  -4.400  -7.762
  510    HA   ASP  78           HA       ASP  78   0.277  -3.540  -8.361
  511    HB2  ASP  78           HB2      ASP  78   2.621  -4.048 -10.145
  512    HB3  ASP  78           HB1      ASP  78   1.011  -4.425 -10.752
  513    H    CYS  79           HN       CYS  79  -1.201  -5.096  -9.002
  514    HA   CYS  79           HA       CYS  79  -0.408  -7.888  -8.459
  515    HB2  CYS  79           HB2      CYS  79  -2.400  -6.277  -7.266
  516    HB3  CYS  79           HB1      CYS  79  -3.242  -7.472  -8.244
  517    HA   PRO  80           HA       PRO  80  -1.501  -8.122 -12.900
  518    HB2  PRO  80           HB2      PRO  80  -0.818 -10.802 -13.058
  519    HB3  PRO  80           HB1      PRO  80   0.295  -9.462 -13.348
  520    HG2  PRO  80           HG2      PRO  80  -0.078 -11.121 -10.893
  521    HG3  PRO  80           HG1      PRO  80   1.418 -10.492 -11.608
  522    HD2  PRO  80           HD2      PRO  80   0.298  -9.353  -9.450
  523    HD3  PRO  80           HD1      PRO  80   1.114  -8.383 -10.695
  524    H    TRP  81           HN       TRP  81  -3.410  -8.847 -13.827
  525    HA   TRP  81           HA       TRP  81  -5.064 -10.525 -12.096
  526    HB2  TRP  81           HB2      TRP  81  -6.959  -9.426 -13.591
  527    HB3  TRP  81           HB1      TRP  81  -6.379  -8.701 -12.108
  528    HD1  TRP  81           HD1      TRP  81  -3.753  -7.222 -13.296
  529    HE1  TRP  81           HE1      TRP  81  -4.106  -5.179 -14.814
  530    HE3  TRP  81           HE3      TRP  81  -8.547  -8.131 -14.740
  531    HZ2  TRP  81           HZ2      TRP  81  -6.171  -4.082 -16.400
  532    HZ3  TRP  81           HZ3      TRP  81  -9.657  -6.532 -16.240
  533    HH2  TRP  81           HH2      TRP  81  -8.492  -4.552 -17.050
  534    H    ASN  82           HN       ASN  82  -3.230 -11.026 -14.560
  535    HA   ASN  82           HA       ASN  82  -3.234 -12.280 -16.486
  536    HB2  ASN  82           HB2      ASN  82  -4.809 -13.921 -14.505
  537    HB3  ASN  82           HB1      ASN  82  -4.273 -14.557 -16.057
  538   HD21  ASN  82          HD21      ASN  82  -3.316 -13.515 -12.899
  539   HD22  ASN  82          HD22      ASN  82  -1.692 -14.100 -12.971
  540    H    HIS  83           HN       HIS  83  -5.361 -10.301 -16.508
  541    HA   HIS  83           HA       HIS  83  -7.259 -11.721 -18.258
  542    HB2  HIS  83           HB2      HIS  83  -7.937  -9.391 -16.452
  543    HB3  HIS  83           HB1      HIS  83  -9.050 -10.248 -17.514
  544    HD1  HIS  83           HD1      HIS  83  -8.797  -9.974 -14.186
  545    HD2  HIS  83           HD2      HIS  83  -8.382 -13.310 -16.625
  546    HE1  HIS  83           HE1      HIS  83  -9.208 -11.952 -12.693
  547    HE2  HIS  83           HE2      HIS  83  -8.800 -13.957 -14.158
  Start of MODEL   21
    1    H1   SER   1           HT1      SER   1  -8.758  13.312  19.080
    2    H2   SER   1           HT2      SER   1  -9.164  12.553  17.595
    3    H3   SER   1           HT3      SER   1  -9.431  14.235  17.802
    4    HA   SER   1           HA       SER   1  -7.203  14.725  17.774
    5    HB2  SER   1           HB2      SER   1  -6.296  13.099  19.227
    6    HB3  SER   1           HB1      SER   1  -6.897  11.763  18.246
    7    HG   SER   1           HG       SER   1  -5.182  11.891  17.032
    8    HA   PRO   2           HA       PRO   2  -8.329  13.598  13.421
    9    HB2  PRO   2           HB2      PRO   2  -8.211  16.136  12.468
   10    HB3  PRO   2           HB1      PRO   2  -9.658  15.464  13.229
   11    HG2  PRO   2           HG2      PRO   2  -7.553  17.240  14.402
   12    HG3  PRO   2           HG1      PRO   2  -9.316  17.326  14.579
   13    HD2  PRO   2           HD2      PRO   2  -7.713  16.256  16.480
   14    HD3  PRO   2           HD1      PRO   2  -9.363  15.672  16.183
   15    HA   PRO   3           HA       PRO   3  -4.263  13.274  11.739
   16    HB2  PRO   3           HB2      PRO   3  -5.405  14.571   9.310
   17    HB3  PRO   3           HB1      PRO   3  -4.441  13.099   9.463
   18    HG2  PRO   3           HG2      PRO   3  -7.069  12.956   9.065
   19    HG3  PRO   3           HG1      PRO   3  -6.251  11.823  10.158
   20    HD2  PRO   3           HD2      PRO   3  -7.976  14.166  10.800
   21    HD3  PRO   3           HD1      PRO   3  -7.782  12.631  11.671
   22    H    VAL   4           HN       VAL   4  -2.530  14.488  11.949
   23    HA   VAL   4           HA       VAL   4  -2.514  17.245  11.084
   24    HB   VAL   4           HB       VAL   4  -3.342  17.615  13.277
   25   HG11  VAL   4          HG11      VAL   4  -1.101  16.013  14.460
   26   HG12  VAL   4          HG12      VAL   4  -2.637  15.272  14.012
   27   HG13  VAL   4          HG13      VAL   4  -2.596  16.555  15.224
   28   HG21  VAL   4          HG21      VAL   4  -1.851  19.199  13.876
   29   HG22  VAL   4          HG22      VAL   4  -1.038  18.707  12.389
   30   HG23  VAL   4          HG23      VAL   4  -0.508  18.057  13.941
   31    H    CYS   5           HN       CYS   5  -0.982  16.514   9.667
   32    HA   CYS   5           HA       CYS   5   1.671  16.918  10.267
   33    HB2  CYS   5           HB2      CYS   5   0.971  14.440  11.285
   34    HB3  CYS   5           HB1      CYS   5   1.627  14.034   9.705
   35    H    GLY   6           HN       GLY   6   1.604  18.007   8.334
   36    HA2  GLY   6           HA2      GLY   6   1.516  18.310   6.047
   37    HA3  GLY   6           HA1      GLY   6   2.047  16.632   5.926
   38    H    ASN   7           HN       ASN   7  -0.818  17.323   7.701
   39    HA   ASN   7           HA       ASN   7  -3.001  16.799   7.439
   40    HB2  ASN   7           HB2      ASN   7  -2.559  17.105   4.465
   41    HB3  ASN   7           HB1      ASN   7  -4.072  17.277   5.349
   42   HD21  ASN   7          HD21      ASN   7  -1.031  18.752   4.555
   43   HD22  ASN   7          HD22      ASN   7  -1.425  20.340   5.108
   44    H    LYS   8           HN       LYS   8  -3.983  14.860   7.557
   45    HA   LYS   8           HA       LYS   8  -2.756  12.482   7.139
   46    HB2  LYS   8           HB2      LYS   8  -4.706  11.967   8.153
   47    HB3  LYS   8           HB1      LYS   8  -5.545  13.329   7.429
   48    HG2  LYS   8           HG2      LYS   8  -6.619  11.276   6.796
   49    HG3  LYS   8           HG1      LYS   8  -5.858  11.991   5.375
   50    HD2  LYS   8           HD2      LYS   8  -5.209   9.795   5.159
   51    HD3  LYS   8           HD1      LYS   8  -3.845  10.456   6.064
   52    HE2  LYS   8           HE2      LYS   8  -6.219   9.126   7.356
   53    HE3  LYS   8           HE1      LYS   8  -4.743   8.268   6.915
   54    HZ1  LYS   8           HZ1      LYS   8  -3.678  10.215   8.306
   55    HZ2  LYS   8           HZ2      LYS   8  -4.252   8.808   9.049
   56    HZ3  LYS   8           HZ3      LYS   8  -5.197  10.210   9.051
   57    H    ILE   9           HN       ILE   9  -1.871  11.604   5.301
   58    HA   ILE   9           HA       ILE   9  -2.114  12.676   2.796
   59    HB   ILE   9           HB       ILE   9  -1.408  10.484   1.838
   60   HG12  ILE   9          HG12      ILE   9  -0.576   8.830   3.586
   61   HG13  ILE   9          HG11      ILE   9  -1.660   9.638   4.718
   62   HG21  ILE   9          HG21      ILE   9   0.100  11.674   4.142
   63   HG22  ILE   9          HG22      ILE   9   0.216  12.107   2.436
   64   HG23  ILE   9          HG23      ILE   9   0.798  10.538   2.991
   65   HD11  ILE   9          HD11      ILE   9  -2.261   7.543   2.991
   66   HD12  ILE   9          HD12      ILE   9  -3.037   8.959   2.286
   67   HD13  ILE   9          HD13      ILE   9  -3.395   8.494   3.949
   68    H    LEU  10           HN       LEU  10  -3.403  12.581   1.125
   69    HA   LEU  10           HA       LEU  10  -5.936  11.148   1.460
   70    HB2  LEU  10           HB2      LEU  10  -6.338  12.849  -0.638
   71    HB3  LEU  10           HB1      LEU  10  -6.721  13.207   1.036
   72    HG   LEU  10           HG       LEU  10  -4.426  14.230   1.243
   73   HD11  LEU  10          HD11      LEU  10  -3.165  14.759  -0.679
   74   HD12  LEU  10          HD12      LEU  10  -4.447  14.217  -1.762
   75   HD13  LEU  10          HD13      LEU  10  -3.548  13.041  -0.802
   76   HD21  LEU  10          HD21      LEU  10  -5.284  16.115  -0.565
   77   HD22  LEU  10          HD22      LEU  10  -5.778  15.995   1.124
   78   HD23  LEU  10          HD23      LEU  10  -6.768  15.262  -0.139
   79    H    GLU  11           HN       GLU  11  -3.281  10.169   0.360
   80    HA   GLU  11           HA       GLU  11  -4.078   8.261  -1.382
   81    HB2  GLU  11           HB2      GLU  11  -3.233   9.274  -3.611
   82    HB3  GLU  11           HB1      GLU  11  -4.857   9.671  -3.067
   83    HG2  GLU  11           HG2      GLU  11  -4.321  11.841  -2.596
   84    HG3  GLU  11           HG1      GLU  11  -2.622  11.472  -2.298
   85    H    GLN  12           HN       GLN  12  -2.090   8.675   0.587
   86    HA   GLN  12           HA       GLN  12   0.099   7.401  -0.645
   87    HB2  GLN  12           HB2      GLN  12   1.788   9.255  -0.095
   88    HB3  GLN  12           HB1      GLN  12   0.832   9.418  -1.559
   89    HG2  GLN  12           HG2      GLN  12  -0.720  10.741   0.215
   90    HG3  GLN  12           HG1      GLN  12   0.888  11.061   0.865
   91   HE21  GLN  12          HE21      GLN  12  -0.387  13.197   0.063
   92   HE22  GLN  12          HE22      GLN  12   0.190  13.775  -1.459
   93    H    GLY  13           HN       GLY  13  -0.958   6.270   1.332
   94    HA2  GLY  13           HA2      GLY  13  -0.543   7.036   3.963
   95    HA3  GLY  13           HA1      GLY  13  -0.539   5.369   3.411
   96    H    GLU  14           HN       GLU  14   1.741   5.897   1.632
   97    HA   GLU  14           HA       GLU  14   3.937   6.350   3.525
   98    HB2  GLU  14           HB2      GLU  14   3.209   3.820   2.246
   99    HB3  GLU  14           HB1      GLU  14   4.872   4.284   1.948
  100    HG2  GLU  14           HG2      GLU  14   5.233   4.510   4.364
  101    HG3  GLU  14           HG1      GLU  14   3.569   4.003   4.644
  102    H    ASP  15           HN       ASP  15   2.607   6.432   0.346
  103    HA   ASP  15           HA       ASP  15   4.723   6.877  -1.323
  104    HB2  ASP  15           HB2      ASP  15   1.916   7.431  -1.294
  105    HB3  ASP  15           HB1      ASP  15   2.748   8.862  -1.897
  106    H    CYS  16           HN       CYS  16   3.420   8.920   1.172
  107    HA   CYS  16           HA       CYS  16   5.655  10.366   1.714
  108    HB2  CYS  16           HB2      CYS  16   5.899  11.536  -0.226
  109    HB3  CYS  16           HB1      CYS  16   4.188  11.445  -0.623
  110    H    ASP  17           HN       ASP  17   5.299  11.165   3.640
  111    HA   ASP  17           HA       ASP  17   4.331  12.270   5.378
  112    HB2  ASP  17           HB2      ASP  17   2.847  13.253   3.221
  113    HB3  ASP  17           HB1      ASP  17   1.650  12.708   4.389
  114    H    CYS  18           HN       CYS  18   4.203  10.660   6.807
  115    HA   CYS  18           HA       CYS  18   2.877   8.315   6.818
  116    HB2  CYS  18           HB2      CYS  18   4.238   9.825   8.703
  117    HB3  CYS  18           HB1      CYS  18   2.641   9.667   9.419
  118    H    GLY  19           HN       GLY  19   1.536  11.469   7.679
  119    HA2  GLY  19           HA2      GLY  19  -0.673  12.173   7.562
  120    HA3  GLY  19           HA1      GLY  19  -1.132  10.549   7.056
  121    H    SER  20           HN       SER  20   0.494   9.607   9.519
  122    HA   SER  20           HA       SER  20  -1.738   9.869  11.353
  123    HB2  SER  20           HB2      SER  20   0.510   8.069  12.025
  124    HB3  SER  20           HB1      SER  20  -1.226   7.810  12.187
  125    HG   SER  20           HG       SER  20  -1.245   6.889  10.299
  126    HA   PRO  21           HA       PRO  21   0.914  12.926  13.297
  127    HB2  PRO  21           HB2      PRO  21  -0.958  13.717  15.135
  128    HB3  PRO  21           HB1      PRO  21  -0.880  14.329  13.480
  129    HG2  PRO  21           HG2      PRO  21  -2.609  12.160  14.611
  130    HG3  PRO  21           HG1      PRO  21  -3.054  13.480  13.514
  131    HD2  PRO  21           HD2      PRO  21  -2.616  11.005  12.599
  132    HD3  PRO  21           HD1      PRO  21  -2.108  12.430  11.666
  133    H    ALA  22           HN       ALA  22  -0.959  10.400  14.881
  134    HA   ALA  22           HA       ALA  22   0.002  10.511  17.460
  135    HB1  ALA  22           HB1      ALA  22  -1.641   8.839  16.231
  136    HB2  ALA  22           HB2      ALA  22  -0.835   8.405  17.738
  137    HB3  ALA  22           HB3      ALA  22  -0.197   7.827  16.199
  138    H    ASN  23           HN       ASN  23   1.649   9.585  14.557
  139    HA   ASN  23           HA       ASN  23   4.069   9.002  16.130
  140    HB2  ASN  23           HB2      ASN  23   2.974   7.646  13.679
  141    HB3  ASN  23           HB1      ASN  23   4.698   7.604  14.031
  142   HD21  ASN  23          HD21      ASN  23   4.871   7.264  16.656
  143   HD22  ASN  23          HD22      ASN  23   4.105   5.799  17.156
  144    H    CYS  24           HN       CYS  24   2.770  10.219  13.074
  145    HA   CYS  24           HA       CYS  24   3.492  11.782  11.603
  146    HB2  CYS  24           HB2      CYS  24   4.667  12.664  14.173
  147    HB3  CYS  24           HB1      CYS  24   5.396  13.347  12.724
  148    H    GLN  25           HN       GLN  25   6.540  11.448  13.383
  149    HA   GLN  25           HA       GLN  25   7.896  10.780  10.898
  150    HB2  GLN  25           HB2      GLN  25   8.728  12.453  12.689
  151    HB3  GLN  25           HB1      GLN  25   9.216  11.024  13.589
  152    HG2  GLN  25           HG2      GLN  25  10.086  11.108  10.783
  153    HG3  GLN  25           HG1      GLN  25  10.791  12.330  11.840
  154   HE21  GLN  25          HE21      GLN  25  12.224  10.250  10.596
  155   HE22  GLN  25          HE22      GLN  25  12.859   9.223  11.832
  156    H    ASP  26           HN       ASP  26   6.902   9.291  13.886
  157    HA   ASP  26           HA       ASP  26   8.554   7.004  13.782
  158    HB2  ASP  26           HB2      ASP  26   6.566   8.021  15.495
  159    HB3  ASP  26           HB1      ASP  26   5.990   6.437  14.987
  160    H    ARG  27           HN       ARG  27   6.684   4.875  13.986
  161    HA   ARG  27           HA       ARG  27   5.678   3.298  12.690
  162    HB2  ARG  27           HB2      ARG  27   4.164   5.513  12.374
  163    HB3  ARG  27           HB1      ARG  27   4.663   5.255  10.708
  164    HG2  ARG  27           HG2      ARG  27   2.832   3.956  10.640
  165    HG3  ARG  27           HG1      ARG  27   3.903   2.755  11.364
  166    HD2  ARG  27           HD2      ARG  27   2.493   4.632  13.183
  167    HD3  ARG  27           HD1      ARG  27   1.539   3.365  12.412
  168    HE   ARG  27           HE       ARG  27   3.375   3.045  14.554
  169   HH11  ARG  27          HH11      ARG  27   2.161   1.456  11.694
  170   HH12  ARG  27          HH12      ARG  27   2.495  -0.137  12.285
  171   HH21  ARG  27          HH21      ARG  27   3.815   0.951  15.333
  172   HH22  ARG  27          HH22      ARG  27   3.433  -0.424  14.352
  173    H    CYS  28           HN       CYS  28   5.241   3.181   9.908
  174    HA   CYS  28           HA       CYS  28   8.013   2.970   9.014
  175    HB2  CYS  28           HB2      CYS  28   7.074   1.547   7.200
  176    HB3  CYS  28           HB1      CYS  28   6.748   0.935   8.817
  177    H    CYS  29           HN       CYS  29   5.825   5.338   8.900
  178    HA   CYS  29           HA       CYS  29   6.687   6.168   6.215
  179    HB2  CYS  29           HB2      CYS  29   4.485   7.564   6.268
  180    HB3  CYS  29           HB1      CYS  29   4.437   5.870   5.803
  181    H    ASN  30           HN       ASN  30   6.829   8.455   5.872
  182    HA   ASN  30           HA       ASN  30   7.687   9.876   8.307
  183    HB2  ASN  30           HB2      ASN  30   8.576  10.013   5.440
  184    HB3  ASN  30           HB1      ASN  30   8.912  11.304   6.572
  185   HD21  ASN  30          HD21      ASN  30   9.570  10.131   8.833
  186   HD22  ASN  30          HD22      ASN  30  10.943   9.100   8.648
  187    H    ALA  31           HN       ALA  31   6.067  11.044   8.995
  188    HA   ALA  31           HA       ALA  31   4.307  12.471   7.191
  189    HB1  ALA  31           HB1      ALA  31   4.436  12.709  10.194
  190    HB2  ALA  31           HB2      ALA  31   3.488  11.482   9.355
  191    HB3  ALA  31           HB3      ALA  31   3.113  13.186   9.137
  192    H    ALA  32           HN       ALA  32   7.218  12.929   8.913
  193    HA   ALA  32           HA       ALA  32   7.133  15.843   8.504
  194    HB1  ALA  32           HB1      ALA  32   7.696  14.836  10.777
  195    HB2  ALA  32           HB2      ALA  32   8.801  16.057  10.145
  196    HB3  ALA  32           HB3      ALA  32   9.228  14.347  10.053
  197    H    THR  33           HN       THR  33   8.093  13.140   6.896
  198    HA   THR  33           HA       THR  33  10.298  14.573   5.598
  199    HB   THR  33           HB       THR  33  10.565  11.700   5.378
  200    HG1  THR  33           HG1      THR  33  10.617  12.823   7.985
  201   HG21  THR  33          HG21      THR  33  12.441  13.368   6.929
  202   HG22  THR  33          HG22      THR  33  12.276  13.683   5.201
  203   HG23  THR  33          HG23      THR  33  12.760  12.083   5.766
  204    H    CYS  34           HN       CYS  34   7.253  13.495   5.130
  205    HA   CYS  34           HA       CYS  34   5.968  13.041   3.311
  206    HB2  CYS  34           HB2      CYS  34   6.680  15.211   2.608
  207    HB3  CYS  34           HB1      CYS  34   8.235  14.599   2.067
  208    H    LYS  35           HN       LYS  35   7.336  10.763   4.000
  209    HA   LYS  35           HA       LYS  35   7.264   9.315   1.578
  210    HB2  LYS  35           HB2      LYS  35   9.857  10.437   2.310
  211    HB3  LYS  35           HB1      LYS  35   9.889   8.699   2.042
  212    HG2  LYS  35           HG2      LYS  35   8.414  10.157  -0.008
  213    HG3  LYS  35           HG1      LYS  35  10.115  10.616   0.104
  214    HD2  LYS  35           HD2      LYS  35   9.613   7.727   0.221
  215    HD3  LYS  35           HD1      LYS  35   9.165   8.490  -1.306
  216    HE2  LYS  35           HE2      LYS  35  11.302   8.859  -1.886
  217    HE3  LYS  35           HE1      LYS  35  11.759   9.346  -0.254
  218    HZ1  LYS  35           HZ1      LYS  35  12.584   7.097  -1.392
  219    HZ2  LYS  35           HZ2      LYS  35  11.188   6.522  -0.630
  220    HZ3  LYS  35           HZ3      LYS  35  12.401   7.270   0.281
  221    H    LEU  36           HN       LEU  36   7.899   7.052   1.789
  222    HA   LEU  36           HA       LEU  36   7.257   6.090   4.440
  223    HB2  LEU  36           HB2      LEU  36   6.848   4.005   3.481
  224    HB3  LEU  36           HB1      LEU  36   6.316   5.158   2.277
  225    HG   LEU  36           HG       LEU  36   8.903   3.612   2.210
  226   HD11  LEU  36          HD11      LEU  36   6.195   3.104   1.199
  227   HD12  LEU  36          HD12      LEU  36   7.533   1.991   1.478
  228   HD13  LEU  36          HD13      LEU  36   7.471   2.936  -0.009
  229   HD21  LEU  36          HD21      LEU  36   7.716   5.657   0.345
  230   HD22  LEU  36          HD22      LEU  36   8.997   4.539  -0.128
  231   HD23  LEU  36          HD23      LEU  36   9.279   5.709   1.162
  232    H    THR  37           HN       THR  37   8.739   5.784   5.902
  233    HA   THR  37           HA       THR  37  11.453   6.019   5.594
  234    HB   THR  37           HB       THR  37  11.595   4.799   7.811
  235    HG1  THR  37           HG1      THR  37   9.936   3.591   8.212
  236   HG21  THR  37          HG21      THR  37  11.397   7.161   7.854
  237   HG22  THR  37          HG22      THR  37  10.279   6.501   9.048
  238   HG23  THR  37          HG23      THR  37   9.672   7.079   7.495
  239    HA   PRO  38           HA       PRO  38  13.478   2.496   3.955
  240    HB2  PRO  38           HB2      PRO  38  14.821   2.383   6.631
  241    HB3  PRO  38           HB1      PRO  38  15.535   2.290   5.015
  242    HG2  PRO  38           HG2      PRO  38  15.683   4.541   6.392
  243    HG3  PRO  38           HG1      PRO  38  15.322   4.584   4.655
  244    HD2  PRO  38           HD2      PRO  38  13.503   4.997   6.980
  245    HD3  PRO  38           HD1      PRO  38  13.474   5.751   5.374
  246    H    GLY  39           HN       GLY  39  13.387   0.271   3.994
  247    HA2  GLY  39           HA2      GLY  39  12.971  -1.851   4.931
  248    HA3  GLY  39           HA1      GLY  39  12.306  -1.065   6.356
  249    H    SER  40           HN       SER  40  10.508   0.679   4.998
  250    HA   SER  40           HA       SER  40   8.359  -1.181   4.542
  251    HB2  SER  40           HB2      SER  40   8.325   1.186   5.711
  252    HB3  SER  40           HB1      SER  40   8.066   1.759   4.063
  253    HG   SER  40           HG       SER  40   6.188   1.061   5.536
  254    H    GLN  41           HN       GLN  41   7.391  -1.689   2.645
  255    HA   GLN  41           HA       GLN  41   8.781  -0.863   0.216
  256    HB2  GLN  41           HB2      GLN  41   6.799  -3.051   0.817
  257    HB3  GLN  41           HB1      GLN  41   7.294  -2.657  -0.823
  258    HG2  GLN  41           HG2      GLN  41   9.507  -3.069   1.049
  259    HG3  GLN  41           HG1      GLN  41   8.500  -4.489   0.771
  260   HE21  GLN  41          HE21      GLN  41   9.847  -1.834  -1.169
  261   HE22  GLN  41          HE22      GLN  41  10.453  -2.840  -2.436
  262    H    CYS  42           HN       CYS  42   5.465  -1.022   1.481
  263    HA   CYS  42           HA       CYS  42   4.714   1.424   0.239
  264    HB2  CYS  42           HB2      CYS  42   4.680   0.081  -1.778
  265    HB3  CYS  42           HB1      CYS  42   3.697  -1.145  -0.988
  266    H    ASN  43           HN       ASN  43   2.629   2.131   0.893
  267    HA   ASN  43           HA       ASN  43   1.489   0.484   3.039
  268    HB2  ASN  43           HB2      ASN  43   2.410   2.608   3.829
  269    HB3  ASN  43           HB1      ASN  43   1.365   3.483   2.716
  270   HD21  ASN  43          HD21      ASN  43   1.700   2.283   5.810
  271   HD22  ASN  43          HD22      ASN  43   0.060   2.433   6.331
  272    H    TYR  44           HN       TYR  44   0.770   2.258   0.127
  273    HA   TYR  44           HA       TYR  44  -1.982   1.220   0.285
  274    HB2  TYR  44           HB2      TYR  44  -2.961   3.223  -0.153
  275    HB3  TYR  44           HB1      TYR  44  -1.502   3.843   0.609
  276    HD1  TYR  44           HD1      TYR  44  -2.813   2.899  -2.767
  277    HD2  TYR  44           HD2      TYR  44  -0.263   5.446  -0.500
  278    HE1  TYR  44           HE1      TYR  44  -2.314   4.190  -4.792
  279    HE2  TYR  44           HE2      TYR  44   0.245   6.747  -2.527
  280    HH   TYR  44           HH       TYR  44  -1.509   6.736  -5.209
  281    H    GLY  45           HN       GLY  45  -2.758   0.265  -1.495
  282    HA2  GLY  45           HA2      GLY  45  -2.540   0.589  -4.083
  283    HA3  GLY  45           HA1      GLY  45  -0.920  -0.007  -3.754
  284    H    GLU  46           HN       GLU  46  -2.431  -1.397  -5.482
  285    HA   GLU  46           HA       GLU  46  -4.127  -3.366  -4.520
  286    HB2  GLU  46           HB2      GLU  46  -2.244  -3.247  -6.851
  287    HB3  GLU  46           HB1      GLU  46  -3.127  -4.728  -6.503
  288    HG2  GLU  46           HG2      GLU  46  -4.422  -3.601  -8.086
  289    HG3  GLU  46           HG1      GLU  46  -5.230  -3.317  -6.544
  290    H    CYS  47           HN       CYS  47  -0.670  -3.108  -4.272
  291    HA   CYS  47           HA       CYS  47  -0.606  -5.729  -2.921
  292    HB2  CYS  47           HB2      CYS  47   1.308  -4.473  -4.841
  293    HB3  CYS  47           HB1      CYS  47   1.925  -5.564  -3.611
  294    H    CYS  48           HN       CYS  48  -1.167  -3.248  -1.601
  295    HA   CYS  48           HA       CYS  48   1.265  -3.042   0.047
  296    HB2  CYS  48           HB2      CYS  48  -0.628  -0.751  -0.455
  297    HB3  CYS  48           HB1      CYS  48   0.950  -0.695   0.324
  298    H    ASP  49           HN       ASP  49   1.032  -3.246   2.179
  299    HA   ASP  49           HA       ASP  49  -1.505  -2.810   3.486
  300    HB2  ASP  49           HB2      ASP  49  -1.680  -5.079   4.405
  301    HB3  ASP  49           HB1      ASP  49  -1.784  -5.099   2.647
  302    H    GLN  50           HN       GLN  50  -0.916  -1.656   5.186
  303    HA   GLN  50           HA       GLN  50   0.077  -1.030   7.129
  304    HB2  GLN  50           HB2      GLN  50   0.579  -3.877   6.993
  305    HB3  GLN  50           HB1      GLN  50   1.923  -3.045   7.764
  306    HG2  GLN  50           HG2      GLN  50   0.668  -2.368   9.546
  307    HG3  GLN  50           HG1      GLN  50  -0.838  -2.372   8.629
  308   HE21  GLN  50          HE21      GLN  50   1.670  -4.613   9.759
  309   HE22  GLN  50          HE22      GLN  50   0.583  -5.887  10.181
  310    H    CYS  51           HN       CYS  51   2.820  -2.961   5.995
  311    HA   CYS  51           HA       CYS  51   4.187  -0.594   5.014
  312    HB2  CYS  51           HB2      CYS  51   5.452  -2.171   7.253
  313    HB3  CYS  51           HB1      CYS  51   6.022  -0.669   6.540
  314    H    ARG  52           HN       ARG  52   3.359  -3.480   4.223
  315    HA   ARG  52           HA       ARG  52   5.868  -4.048   2.838
  316    HB2  ARG  52           HB2      ARG  52   4.425  -5.946   4.666
  317    HB3  ARG  52           HB1      ARG  52   5.398  -6.548   3.331
  318    HG2  ARG  52           HG2      ARG  52   6.693  -4.565   5.085
  319    HG3  ARG  52           HG1      ARG  52   6.351  -6.141   5.801
  320    HD2  ARG  52           HD2      ARG  52   7.905  -7.183   4.553
  321    HD3  ARG  52           HD1      ARG  52   7.523  -6.242   3.112
  322    HE   ARG  52           HE       ARG  52   8.795  -4.454   4.688
  323   HH11  ARG  52          HH11      ARG  52   9.602  -7.677   3.620
  324   HH12  ARG  52          HH12      ARG  52  11.310  -7.392   3.645
  325   HH21  ARG  52          HH21      ARG  52  11.040  -4.078   4.721
  326   HH22  ARG  52          HH22      ARG  52  12.127  -5.349   4.270
  327    H    PHE  53           HN       PHE  53   5.529  -5.821   1.156
  328    HA   PHE  53           HA       PHE  53   3.247  -5.095  -0.421
  329    HB2  PHE  53           HB2      PHE  53   5.545  -6.992  -0.861
  330    HB3  PHE  53           HB1      PHE  53   4.204  -6.890  -1.997
  331    HD1  PHE  53           HD2      PHE  53   3.725  -3.927  -1.830
  332    HD2  PHE  53           HD1      PHE  53   7.305  -6.190  -2.189
  333    HE1  PHE  53           HE2      PHE  53   4.794  -2.033  -2.948
  334    HE2  PHE  53           HE1      PHE  53   8.392  -4.291  -3.313
  335    HZ   PHE  53           HZ       PHE  53   7.137  -2.205  -3.696
  336    H    LYS  54           HN       LYS  54   1.557  -6.409  -1.106
  337    HA   LYS  54           HA       LYS  54   0.569  -8.238   0.819
  338    HB2  LYS  54           HB2      LYS  54  -0.286  -7.409  -1.931
  339    HB3  LYS  54           HB1      LYS  54  -1.050  -8.799  -1.173
  340    HG2  LYS  54           HG2      LYS  54  -0.937  -6.031   0.007
  341    HG3  LYS  54           HG1      LYS  54  -2.317  -6.723  -0.847
  342    HD2  LYS  54           HD2      LYS  54  -2.055  -8.643   0.918
  343    HD3  LYS  54           HD1      LYS  54  -1.211  -7.398   1.842
  344    HE2  LYS  54           HE2      LYS  54  -3.208  -5.924   1.511
  345    HE3  LYS  54           HE1      LYS  54  -4.040  -7.311   0.806
  346    HZ1  LYS  54           HZ1      LYS  54  -3.308  -8.427   3.036
  347    HZ2  LYS  54           HZ2      LYS  54  -4.697  -7.466   2.971
  348    HZ3  LYS  54           HZ3      LYS  54  -3.258  -6.830   3.591
  349    H    LYS  55           HN       LYS  55   2.129  -9.812   1.102
  350    HA   LYS  55           HA       LYS  55   3.687 -11.315  -0.319
  351    HB2  LYS  55           HB2      LYS  55   3.005 -11.864   1.996
  352    HB3  LYS  55           HB1      LYS  55   1.546 -12.618   1.367
  353    HG2  LYS  55           HG2      LYS  55   2.785 -14.486   1.506
  354    HG3  LYS  55           HG1      LYS  55   3.399 -13.944  -0.057
  355    HD2  LYS  55           HD2      LYS  55   4.740 -12.891   2.369
  356    HD3  LYS  55           HD1      LYS  55   5.003 -14.591   1.975
  357    HE2  LYS  55           HE2      LYS  55   6.017 -14.094  -0.054
  358    HE3  LYS  55           HE1      LYS  55   5.301 -12.484  -0.129
  359    HZ1  LYS  55           HZ1      LYS  55   6.889 -11.613   1.216
  360    HZ2  LYS  55           HZ2      LYS  55   7.807 -12.859   0.535
  361    HZ3  LYS  55           HZ3      LYS  55   7.135 -13.050   2.075
  362    H    ALA  56           HN       ALA  56   3.769 -12.410  -2.170
  363    HA   ALA  56           HA       ALA  56   1.900 -12.516  -4.094
  364    HB1  ALA  56           HB1      ALA  56   3.887 -13.297  -4.877
  365    HB2  ALA  56           HB2      ALA  56   3.039 -14.833  -4.692
  366    HB3  ALA  56           HB3      ALA  56   4.181 -14.301  -3.456
  367    H    GLY  57           HN       GLY  57   0.083 -13.576  -4.559
  368    HA2  GLY  57           HA2      GLY  57  -1.255 -15.618  -4.467
  369    HA3  GLY  57           HA1      GLY  57  -0.683 -15.838  -2.818
  370    H    THR  58           HN       THR  58  -1.048 -12.711  -2.762
  371    HA   THR  58           HA       THR  58  -3.644 -12.810  -1.521
  372    HB   THR  58           HB       THR  58  -1.725 -10.522  -2.023
  373    HG1  THR  58           HG1      THR  58  -1.132 -12.271  -0.529
  374   HG21  THR  58          HG21      THR  58  -3.138  -9.071  -1.138
  375   HG22  THR  58          HG22      THR  58  -3.530 -10.161   0.193
  376   HG23  THR  58          HG23      THR  58  -4.399 -10.290  -1.337
  377    H    VAL  59           HN       VAL  59  -5.436 -12.782  -2.759
  378    HA   VAL  59           HA       VAL  59  -5.490 -11.750  -5.405
  379    HB   VAL  59           HB       VAL  59  -6.991 -13.567  -4.766
  380   HG11  VAL  59          HG11      VAL  59  -7.341 -12.271  -2.428
  381   HG12  VAL  59          HG12      VAL  59  -8.411 -13.541  -3.020
  382   HG13  VAL  59          HG13      VAL  59  -8.838 -11.846  -3.258
  383   HG21  VAL  59          HG21      VAL  59  -7.600 -11.565  -6.417
  384   HG22  VAL  59          HG22      VAL  59  -8.928 -11.389  -5.270
  385   HG23  VAL  59          HG23      VAL  59  -8.691 -12.917  -6.117
  386    H    CYS  60           HN       CYS  60  -5.309  -9.635  -5.770
  387    HA   CYS  60           HA       CYS  60  -6.401  -7.725  -3.881
  388    HB2  CYS  60           HB2      CYS  60  -5.232  -6.047  -5.107
  389    HB3  CYS  60           HB1      CYS  60  -4.155  -7.434  -4.999
  390    H    ARG  61           HN       ARG  61  -6.955  -8.862  -7.151
  391    HA   ARG  61           HA       ARG  61  -9.684  -7.933  -7.051
  392    HB2  ARG  61           HB2      ARG  61  -9.336  -6.892  -9.442
  393    HB3  ARG  61           HB1      ARG  61  -9.064  -5.937  -7.995
  394    HG2  ARG  61           HG2      ARG  61  -6.843  -5.789  -8.345
  395    HG3  ARG  61           HG1      ARG  61  -6.734  -7.393  -9.073
  396    HD2  ARG  61           HD2      ARG  61  -8.049  -6.321 -11.028
  397    HD3  ARG  61           HD1      ARG  61  -7.526  -4.792 -10.327
  398    HE   ARG  61           HE       ARG  61  -5.841  -6.801 -11.601
  399   HH11  ARG  61          HH11      ARG  61  -6.031  -3.792  -9.835
  400   HH12  ARG  61          HH12      ARG  61  -4.442  -3.286 -10.297
  401   HH21  ARG  61          HH21      ARG  61  -3.766  -6.141 -12.199
  402   HH22  ARG  61          HH22      ARG  61  -3.154  -4.619 -11.640
  403    H    ILE  62           HN       ILE  62 -10.596  -8.335  -9.483
  404    HA   ILE  62           HA       ILE  62  -9.515 -10.664 -10.754
  405    HB   ILE  62           HB       ILE  62 -10.585 -11.890  -9.038
  406   HG12  ILE  62          HG12      ILE  62 -12.354 -13.104 -10.196
  407   HG13  ILE  62          HG11      ILE  62 -12.582 -11.761 -11.312
  408   HG21  ILE  62          HG21      ILE  62 -11.966 -10.603  -7.825
  409   HG22  ILE  62          HG22      ILE  62 -13.203 -11.339  -8.847
  410   HG23  ILE  62          HG23      ILE  62 -12.570  -9.740  -9.240
  411   HD11  ILE  62          HD11      ILE  62  -9.906 -12.381 -11.571
  412   HD12  ILE  62          HD12      ILE  62 -11.205 -12.840 -12.672
  413   HD13  ILE  62          HD13      ILE  62 -10.694 -13.949 -11.399
  414    H    ALA  63           HN       ALA  63 -10.053 -10.604 -12.819
  415    HA   ALA  63           HA       ALA  63 -11.151  -8.479 -14.068
  416    HB1  ALA  63           HB1      ALA  63 -10.309 -11.048 -14.864
  417    HB2  ALA  63           HB2      ALA  63 -10.491  -9.597 -15.847
  418    HB3  ALA  63           HB3      ALA  63 -11.840 -10.714 -15.673
  419    H    ARG  64           HN       ARG  64 -13.115 -11.336 -14.624
  420    HA   ARG  64           HA       ARG  64 -15.421 -10.042 -13.385
  421    HB2  ARG  64           HB2      ARG  64 -15.042  -9.624 -16.011
  422    HB3  ARG  64           HB1      ARG  64 -15.900 -11.157 -16.092
  423    HG2  ARG  64           HG2      ARG  64 -17.573  -9.549 -16.259
  424    HG3  ARG  64           HG1      ARG  64 -17.635 -10.061 -14.571
  425    HD2  ARG  64           HD2      ARG  64 -15.875  -8.035 -14.381
  426    HD3  ARG  64           HD1      ARG  64 -16.838  -7.472 -15.746
  427    HE   ARG  64           HE       ARG  64 -17.646  -7.609 -13.001
  428   HH11  ARG  64          HH11      ARG  64 -18.786  -7.674 -16.299
  429   HH12  ARG  64          HH12      ARG  64 -20.375  -7.118 -15.892
  430   HH21  ARG  64          HH21      ARG  64 -19.736  -6.878 -12.465
  431   HH22  ARG  64          HH22      ARG  64 -20.914  -6.666 -13.716
  432    H    GLY  65           HN       GLY  65 -15.324 -11.769 -11.863
  433    HA2  GLY  65           HA2      GLY  65 -16.859 -13.694 -11.520
  434    HA3  GLY  65           HA1      GLY  65 -16.174 -14.358 -12.997
  435    H    ASP  66           HN       ASP  66 -14.410 -15.573 -12.897
  436    HA   ASP  66           HA       ASP  66 -12.373 -15.441 -11.029
  437    HB2  ASP  66           HB2      ASP  66 -12.891 -17.510  -9.675
  438    HB3  ASP  66           HB1      ASP  66 -13.890 -16.108  -9.304
  439    H    TRP  67           HN       TRP  67 -11.136 -15.835 -12.779
  440    HA   TRP  67           HA       TRP  67 -11.248 -18.557 -13.906
  441    HB2  TRP  67           HB2      TRP  67  -9.810 -16.956 -15.699
  442    HB3  TRP  67           HB1      TRP  67 -11.438 -17.582 -15.919
  443    HD1  TRP  67           HD1      TRP  67  -9.916 -14.437 -14.120
  444    HE1  TRP  67           HE1      TRP  67 -11.434 -12.454 -14.645
  445    HE3  TRP  67           HE3      TRP  67 -13.411 -16.844 -16.963
  446    HZ2  TRP  67           HZ2      TRP  67 -13.808 -11.957 -16.112
  447    HZ3  TRP  67           HZ3      TRP  67 -15.275 -15.537 -17.901
  448    HH2  TRP  67           HH2      TRP  67 -15.468 -13.141 -17.479
  449    H    ASN  68           HN       ASN  68  -8.990 -15.867 -13.887
  450    HA   ASN  68           HA       ASN  68  -6.826 -17.667 -13.066
  451    HB2  ASN  68           HB2      ASN  68  -6.345 -14.907 -14.127
  452    HB3  ASN  68           HB1      ASN  68  -5.344 -16.349 -14.275
  453   HD21  ASN  68          HD21      ASN  68  -8.402 -14.927 -15.344
  454   HD22  ASN  68          HD22      ASN  68  -8.422 -15.695 -16.891
  455    H    ASP  69           HN       ASP  69  -8.668 -14.852 -12.262
  456    HA   ASP  69           HA       ASP  69  -8.798 -13.556 -10.411
  457    HB2  ASP  69           HB2      ASP  69  -7.436 -16.003  -9.400
  458    HB3  ASP  69           HB1      ASP  69  -7.459 -14.582  -8.362
  459    H    ASP  70           HN       ASP  70  -7.793 -11.750  -9.772
  460    HA   ASP  70           HA       ASP  70  -5.097 -11.323 -10.692
  461    HB2  ASP  70           HB2      ASP  70  -6.669  -9.335  -9.090
  462    HB3  ASP  70           HB1      ASP  70  -5.490  -9.038 -10.354
  463    H    TYR  71           HN       TYR  71  -3.349 -11.714  -9.518
  464    HA   TYR  71           HA       TYR  71  -3.604 -11.599  -6.586
  465    HB2  TYR  71           HB2      TYR  71  -2.339 -13.665  -8.339
  466    HB3  TYR  71           HB1      TYR  71  -1.778 -13.434  -6.684
  467    HD1  TYR  71           HD1      TYR  71  -3.434 -13.640  -4.824
  468    HD2  TYR  71           HD2      TYR  71  -4.290 -14.872  -8.788
  469    HE1  TYR  71           HE1      TYR  71  -5.273 -15.018  -3.975
  470    HE2  TYR  71           HE2      TYR  71  -6.143 -16.250  -7.971
  471    HH   TYR  71           HH       TYR  71  -7.595 -15.938  -5.194
  472    H    CYS  72           HN       CYS  72  -1.726 -11.230  -5.382
  473    HA   CYS  72           HA       CYS  72   0.030  -9.274  -6.577
  474    HB2  CYS  72           HB2      CYS  72  -0.986  -9.108  -4.252
  475    HB3  CYS  72           HB1      CYS  72   0.143 -10.370  -3.769
  476    H    THR  73           HN       THR  73   2.411  -9.423  -6.212
  477    HA   THR  73           HA       THR  73   3.321 -12.212  -6.480
  478    HB   THR  73           HB       THR  73   4.930 -11.545  -8.077
  479    HG1  THR  73           HG1      THR  73   4.322  -8.903  -7.270
  480   HG21  THR  73          HG21      THR  73   3.013  -9.633  -9.129
  481   HG22  THR  73          HG22      THR  73   2.271 -11.144  -8.601
  482   HG23  THR  73          HG23      THR  73   3.571 -11.169  -9.794
  483    H    GLY  74           HN       GLY  74   3.586  -9.348  -4.667
  484    HA2  GLY  74           HA2      GLY  74   4.753  -8.984  -2.708
  485    HA3  GLY  74           HA1      GLY  74   5.507 -10.557  -2.910
  486    H    LYS  75           HN       LYS  75   5.676  -8.342  -5.549
  487    HA   LYS  75           HA       LYS  75   8.453  -7.690  -4.817
  488    HB2  LYS  75           HB2      LYS  75   7.456  -8.243  -7.613
  489    HB3  LYS  75           HB1      LYS  75   9.118  -7.939  -7.124
  490    HG2  LYS  75           HG2      LYS  75   8.284 -10.101  -5.571
  491    HG3  LYS  75           HG1      LYS  75   7.646 -10.410  -7.187
  492    HD2  LYS  75           HD2      LYS  75  10.486  -9.535  -6.829
  493    HD3  LYS  75           HD1      LYS  75  10.039 -11.223  -6.572
  494    HE2  LYS  75           HE2      LYS  75  10.842 -10.641  -8.891
  495    HE3  LYS  75           HE1      LYS  75   9.282 -11.459  -8.801
  496    HZ1  LYS  75           HZ1      LYS  75   9.603  -8.518  -9.048
  497    HZ2  LYS  75           HZ2      LYS  75   8.161  -9.397  -9.148
  498    HZ3  LYS  75           HZ3      LYS  75   9.332  -9.555 -10.357
  499    H    SER  76           HN       SER  76   5.434  -6.427  -5.451
  500    HA   SER  76           HA       SER  76   6.449  -3.762  -5.582
  501    HB2  SER  76           HB2      SER  76   5.435  -5.069  -8.068
  502    HB3  SER  76           HB1      SER  76   5.066  -3.366  -7.798
  503    HG   SER  76           HG       SER  76   7.049  -3.759  -8.961
  504    H    SER  77           HN       SER  77   4.524  -2.198  -6.105
  505    HA   SER  77           HA       SER  77   2.394  -2.938  -4.280
  506    HB2  SER  77           HB2      SER  77   1.676  -0.493  -4.826
  507    HB3  SER  77           HB1      SER  77   3.125  -0.761  -3.857
  508    HG   SER  77           HG       SER  77   2.895   0.053  -6.536
  509    H    ASP  78           HN       ASP  78   2.801  -3.773  -7.297
  510    HA   ASP  78           HA       ASP  78   0.008  -3.243  -8.078
  511    HB2  ASP  78           HB2      ASP  78   2.505  -3.465  -9.744
  512    HB3  ASP  78           HB1      ASP  78   0.912  -3.724 -10.448
  513    H    CYS  79           HN       CYS  79  -1.276  -4.949  -8.237
  514    HA   CYS  79           HA       CYS  79  -0.057  -7.626  -8.295
  515    HB2  CYS  79           HB2      CYS  79  -1.313  -7.923  -6.456
  516    HB3  CYS  79           HB1      CYS  79  -2.206  -6.438  -6.737
  517    HA   PRO  80           HA       PRO  80  -1.708  -7.671 -12.496
  518    HB2  PRO  80           HB2      PRO  80  -0.947 -10.246 -13.039
  519    HB3  PRO  80           HB1      PRO  80   0.132  -8.852 -13.163
  520    HG2  PRO  80           HG2      PRO  80  -0.159 -10.831 -10.936
  521    HG3  PRO  80           HG1      PRO  80   1.319 -10.152 -11.644
  522    HD2  PRO  80           HD2      PRO  80   0.335  -9.244  -9.320
  523    HD3  PRO  80           HD1      PRO  80   1.103  -8.152 -10.490
  524    H    TRP  81           HN       TRP  81  -3.187  -9.114 -13.741
  525    HA   TRP  81           HA       TRP  81  -5.324 -10.017 -12.012
  526    HB2  TRP  81           HB2      TRP  81  -5.742 -10.449 -14.862
  527    HB3  TRP  81           HB1      TRP  81  -6.747  -9.594 -13.696
  528    HD1  TRP  81           HD1      TRP  81  -3.692  -8.960 -16.000
  529    HE1  TRP  81           HE1      TRP  81  -3.651  -6.443 -16.554
  530    HE3  TRP  81           HE3      TRP  81  -7.508  -7.447 -13.018
  531    HZ2  TRP  81           HZ2      TRP  81  -5.078  -4.122 -15.810
  532    HZ3  TRP  81           HZ3      TRP  81  -8.135  -5.058 -12.985
  533    HH2  TRP  81           HH2      TRP  81  -6.936  -3.428 -14.357
  534    H    ASN  82           HN       ASN  82  -2.845 -11.316 -13.928
  535    HA   ASN  82           HA       ASN  82  -2.012 -13.463 -14.001
  536    HB2  ASN  82           HB2      ASN  82  -3.836 -13.735 -11.954
  537    HB3  ASN  82           HB1      ASN  82  -4.429 -14.890 -13.142
  538   HD21  ASN  82          HD21      ASN  82  -1.842 -15.496 -14.242
  539   HD22  ASN  82          HD22      ASN  82  -1.002 -16.439 -13.064
  540    H    HIS  83           HN       HIS  83  -3.559 -12.003 -15.973
  541    HA   HIS  83           HA       HIS  83  -4.899 -14.154 -17.448
  542    HB2  HIS  83           HB2      HIS  83  -4.883 -11.180 -18.015
  543    HB3  HIS  83           HB1      HIS  83  -5.894 -12.395 -18.797
  544    HD1  HIS  83           HD1      HIS  83  -7.018  -9.924 -17.208
  545    HD2  HIS  83           HD2      HIS  83  -6.598 -13.774 -15.712
  546    HE1  HIS  83           HE1      HIS  83  -8.615 -10.077 -15.274
  547    HE2  HIS  83           HE2      HIS  83  -8.440 -12.455 -14.469
  Start of MODEL   22
    1    H1   SER   1           HT1      SER   1  -4.932  18.814  19.796
    2    H2   SER   1           HT2      SER   1  -3.959  17.898  20.873
    3    H3   SER   1           HT3      SER   1  -5.668  17.876  21.026
    4    HA   SER   1           HA       SER   1  -5.015  15.885  20.028
    5    HB2  SER   1           HB2      SER   1  -6.045  16.369  17.655
    6    HB3  SER   1           HB1      SER   1  -7.039  16.557  19.100
    7    HG   SER   1           HG       SER   1  -5.650  18.638  17.757
    8    HA   PRO   2           HA       PRO   2  -1.314  15.642  17.646
    9    HB2  PRO   2           HB2      PRO   2  -1.817  13.549  16.002
   10    HB3  PRO   2           HB1      PRO   2  -1.527  13.354  17.731
   11    HG2  PRO   2           HG2      PRO   2  -4.121  13.416  16.236
   12    HG3  PRO   2           HG1      PRO   2  -3.607  12.330  17.541
   13    HD2  PRO   2           HD2      PRO   2  -5.226  14.458  17.968
   14    HD3  PRO   2           HD1      PRO   2  -4.067  13.881  19.182
   15    HA   PRO   3           HA       PRO   3  -2.335  17.873  13.877
   16    HB2  PRO   3           HB2      PRO   3   0.030  19.004  13.480
   17    HB3  PRO   3           HB1      PRO   3  -0.967  19.469  14.864
   18    HG2  PRO   3           HG2      PRO   3   1.442  17.715  14.767
   19    HG3  PRO   3           HG1      PRO   3   0.940  18.865  16.017
   20    HD2  PRO   3           HD2      PRO   3   0.550  16.085  16.070
   21    HD3  PRO   3           HD1      PRO   3  -0.247  17.273  17.119
   22    H    VAL   4           HN       VAL   4  -2.577  17.319  12.049
   23    HA   VAL   4           HA       VAL   4  -1.412  15.147  10.807
   24    HB   VAL   4           HB       VAL   4  -2.590  16.034   8.840
   25   HG11  VAL   4          HG11      VAL   4  -4.583  16.306  10.977
   26   HG12  VAL   4          HG12      VAL   4  -3.626  14.825  10.974
   27   HG13  VAL   4          HG13      VAL   4  -4.584  15.259   9.559
   28   HG21  VAL   4          HG21      VAL   4  -2.628  18.435  10.475
   29   HG22  VAL   4          HG22      VAL   4  -4.184  18.042   9.745
   30   HG23  VAL   4          HG23      VAL   4  -2.761  18.259   8.727
   31    H    CYS   5           HN       CYS   5   0.789  15.313  10.654
   32    HA   CYS   5           HA       CYS   5   2.137  17.642   9.739
   33    HB2  CYS   5           HB2      CYS   5   3.383  14.970   9.280
   34    HB3  CYS   5           HB1      CYS   5   4.102  16.443   9.908
   35    H    GLY   6           HN       GLY   6   1.349  18.405   7.841
   36    HA2  GLY   6           HA2      GLY   6   1.563  18.573   5.509
   37    HA3  GLY   6           HA1      GLY   6   1.996  16.871   5.448
   38    H    ASN   7           HN       ASN   7  -0.778  17.685   7.319
   39    HA   ASN   7           HA       ASN   7  -3.006  17.284   7.061
   40    HB2  ASN   7           HB2      ASN   7  -2.166  18.180   4.354
   41    HB3  ASN   7           HB1      ASN   7  -3.721  17.357   4.465
   42   HD21  ASN   7          HD21      ASN   7  -5.357  18.678   4.688
   43   HD22  ASN   7          HD22      ASN   7  -5.345  20.202   5.503
   44    H    LYS   8           HN       LYS   8  -4.135  15.409   7.122
   45    HA   LYS   8           HA       LYS   8  -3.087  12.932   6.700
   46    HB2  LYS   8           HB2      LYS   8  -5.479  13.772   7.561
   47    HB3  LYS   8           HB1      LYS   8  -5.952  13.232   5.956
   48    HG2  LYS   8           HG2      LYS   8  -4.395  11.473   7.820
   49    HG3  LYS   8           HG1      LYS   8  -6.156  11.568   7.871
   50    HD2  LYS   8           HD2      LYS   8  -5.070  11.184   5.181
   51    HD3  LYS   8           HD1      LYS   8  -4.700   9.865   6.292
   52    HE2  LYS   8           HE2      LYS   8  -7.260  10.123   6.889
   53    HE3  LYS   8           HE1      LYS   8  -7.328  10.817   5.270
   54    HZ1  LYS   8           HZ1      LYS   8  -7.765   8.458   5.201
   55    HZ2  LYS   8           HZ2      LYS   8  -6.298   8.121   5.972
   56    HZ3  LYS   8           HZ3      LYS   8  -6.302   8.786   4.417
   57    H    ILE   9           HN       ILE   9  -1.899  12.557   4.870
   58    HA   ILE   9           HA       ILE   9  -2.305  13.467   2.351
   59    HB   ILE   9           HB       ILE   9  -1.228  11.494   1.374
   60   HG12  ILE   9          HG12      ILE   9  -0.326   9.723   2.868
   61   HG13  ILE   9          HG11      ILE   9  -1.345  10.343   4.171
   62   HG21  ILE   9          HG21      ILE   9   0.122  13.257   2.240
   63   HG22  ILE   9          HG22      ILE   9   0.896  11.713   2.592
   64   HG23  ILE   9          HG23      ILE   9   0.042  12.581   3.868
   65   HD11  ILE   9          HD11      ILE   9  -2.024   8.335   2.502
   66   HD12  ILE   9          HD12      ILE   9  -2.754   9.708   1.676
   67   HD13  ILE   9          HD13      ILE   9  -3.184   9.353   3.350
   68    H    LEU  10           HN       LEU  10  -3.455  13.045   0.574
   69    HA   LEU  10           HA       LEU  10  -5.783  11.312   0.966
   70    HB2  LEU  10           HB2      LEU  10  -6.813  12.737  -0.849
   71    HB3  LEU  10           HB1      LEU  10  -6.524  13.527   0.690
   72    HG   LEU  10           HG       LEU  10  -5.982  14.818  -1.455
   73   HD11  LEU  10          HD11      LEU  10  -4.986  14.929   1.105
   74   HD12  LEU  10          HD12      LEU  10  -4.812  16.169  -0.137
   75   HD13  LEU  10          HD13      LEU  10  -3.538  14.973   0.099
   76   HD21  LEU  10          HD21      LEU  10  -3.449  13.202  -1.331
   77   HD22  LEU  10          HD22      LEU  10  -3.869  14.465  -2.486
   78   HD23  LEU  10          HD23      LEU  10  -4.733  12.928  -2.508
   79    H    GLU  11           HN       GLU  11  -2.944  10.967  -0.247
   80    HA   GLU  11           HA       GLU  11  -3.535   8.869  -1.972
   81    HB2  GLU  11           HB2      GLU  11  -3.033   9.760  -4.158
   82    HB3  GLU  11           HB1      GLU  11  -4.357  10.678  -3.457
   83    HG2  GLU  11           HG2      GLU  11  -2.372  12.236  -2.666
   84    HG3  GLU  11           HG1      GLU  11  -1.579  11.508  -4.062
   85    H    GLN  12           HN       GLN  12  -1.705   9.236   0.099
   86    HA   GLN  12           HA       GLN  12   0.634   8.220  -1.054
   87    HB2  GLN  12           HB2      GLN  12   2.147  10.193  -0.361
   88    HB3  GLN  12           HB1      GLN  12   1.282  10.286  -1.887
   89    HG2  GLN  12           HG2      GLN  12  -0.515  11.500  -0.377
   90    HG3  GLN  12           HG1      GLN  12   0.907  11.830   0.612
   91   HE21  GLN  12          HE21      GLN  12  -0.923  13.441  -1.237
   92   HE22  GLN  12          HE22      GLN  12   0.183  14.340  -2.213
   93    H    GLY  13           HN       GLY  13  -0.793   7.260   1.015
   94    HA2  GLY  13           HA2      GLY  13  -0.116   8.035   3.609
   95    HA3  GLY  13           HA1      GLY  13  -0.503   6.388   3.131
   96    H    GLU  14           HN       GLU  14   1.715   6.363   1.218
   97    HA   GLU  14           HA       GLU  14   4.050   6.270   3.010
   98    HB2  GLU  14           HB2      GLU  14   4.729   4.160   2.044
   99    HB3  GLU  14           HB1      GLU  14   3.092   3.984   2.646
  100    HG2  GLU  14           HG2      GLU  14   3.750   4.554  -0.230
  101    HG3  GLU  14           HG1      GLU  14   3.546   2.932   0.423
  102    H    ASP  15           HN       ASP  15   2.674   6.573  -0.158
  103    HA   ASP  15           HA       ASP  15   4.808   6.822  -1.839
  104    HB2  ASP  15           HB2      ASP  15   2.402   6.970  -2.464
  105    HB3  ASP  15           HB1      ASP  15   2.364   8.602  -1.808
  106    H    CYS  16           HN       CYS  16   3.682   9.034   0.578
  107    HA   CYS  16           HA       CYS  16   5.949  10.309   1.205
  108    HB2  CYS  16           HB2      CYS  16   6.530  11.301  -0.775
  109    HB3  CYS  16           HB1      CYS  16   4.867  11.397  -1.342
  110    H    ASP  17           HN       ASP  17   5.476  11.325   3.014
  111    HA   ASP  17           HA       ASP  17   4.369  12.497   4.612
  112    HB2  ASP  17           HB2      ASP  17   2.432  13.239   2.407
  113    HB3  ASP  17           HB1      ASP  17   2.500  13.969   4.006
  114    H    CYS  18           HN       CYS  18   2.102  12.564   5.674
  115    HA   CYS  18           HA       CYS  18   0.487  10.232   5.054
  116    HB2  CYS  18           HB2      CYS  18   2.497  10.097   7.028
  117    HB3  CYS  18           HB1      CYS  18   0.973  10.232   7.901
  118    H    GLY  19           HN       GLY  19   1.088  12.957   7.225
  119    HA2  GLY  19           HA2      GLY  19  -0.363  14.593   7.957
  120    HA3  GLY  19           HA1      GLY  19  -1.585  13.896   6.912
  121    H    SER  20           HN       SER  20  -0.924  11.225   8.386
  122    HA   SER  20           HA       SER  20  -2.776  11.780  10.566
  123    HB2  SER  20           HB2      SER  20  -3.305   9.461  10.596
  124    HB3  SER  20           HB1      SER  20  -3.307   9.972   8.909
  125    HG   SER  20           HG       SER  20  -1.370   8.450  10.292
  126    HA   PRO  21           HA       PRO  21   1.150  12.176  12.853
  127    HB2  PRO  21           HB2      PRO  21  -0.588  12.312  15.152
  128    HB3  PRO  21           HB1      PRO  21   0.402  13.584  14.435
  129    HG2  PRO  21           HG2      PRO  21  -2.461  13.013  14.069
  130    HG3  PRO  21           HG1      PRO  21  -1.567  14.513  13.774
  131    HD2  PRO  21           HD2      PRO  21  -2.525  13.002  11.757
  132    HD3  PRO  21           HD1      PRO  21  -0.996  13.888  11.614
  133    H    ALA  22           HN       ALA  22  -1.531   9.965  13.409
  134    HA   ALA  22           HA       ALA  22  -0.504   8.380  15.425
  135    HB1  ALA  22           HB1      ALA  22  -2.313   7.863  13.118
  136    HB2  ALA  22           HB2      ALA  22  -2.631   7.755  14.849
  137    HB3  ALA  22           HB3      ALA  22  -1.711   6.487  14.041
  138    H    ASN  23           HN       ASN  23   0.553   8.727  12.152
  139    HA   ASN  23           HA       ASN  23   2.587   6.650  12.596
  140    HB2  ASN  23           HB2      ASN  23   1.159   7.302  10.013
  141    HB3  ASN  23           HB1      ASN  23   2.509   6.181  10.163
  142   HD21  ASN  23          HD21      ASN  23   0.619   4.939   9.104
  143   HD22  ASN  23          HD22      ASN  23  -0.347   4.007  10.192
  144    H    CYS  24           HN       CYS  24   2.068   9.904  12.175
  145    HA   CYS  24           HA       CYS  24   3.961  10.772  10.348
  146    HB2  CYS  24           HB2      CYS  24   2.375  12.293  11.385
  147    HB3  CYS  24           HB1      CYS  24   3.111  12.039  12.962
  148    H    GLN  25           HN       GLN  25   5.819   9.522  10.397
  149    HA   GLN  25           HA       GLN  25   7.966   9.020  10.952
  150    HB2  GLN  25           HB2      GLN  25   7.714  11.205  13.025
  151    HB3  GLN  25           HB1      GLN  25   9.206  10.530  12.386
  152    HG2  GLN  25           HG2      GLN  25   7.933  11.372  10.119
  153    HG3  GLN  25           HG1      GLN  25   7.460  12.594  11.298
  154   HE21  GLN  25          HE21      GLN  25  10.321  10.831  10.170
  155   HE22  GLN  25          HE22      GLN  25  11.409  12.165  10.301
  156    H    ASP  26           HN       ASP  26   6.699   7.067  11.793
  157    HA   ASP  26           HA       ASP  26   7.856   6.200  14.192
  158    HB2  ASP  26           HB2      ASP  26   5.822   7.870  14.807
  159    HB3  ASP  26           HB1      ASP  26   4.946   6.346  14.709
  160    H    ARG  27           HN       ARG  27   4.580   5.695  12.861
  161    HA   ARG  27           HA       ARG  27   4.657   2.916  13.077
  162    HB2  ARG  27           HB2      ARG  27   2.571   4.149  12.838
  163    HB3  ARG  27           HB1      ARG  27   3.014   4.620  11.206
  164    HG2  ARG  27           HG2      ARG  27   1.806   2.857  10.569
  165    HG3  ARG  27           HG1      ARG  27   3.200   1.900  11.074
  166    HD2  ARG  27           HD2      ARG  27   1.982   2.142  13.436
  167    HD3  ARG  27           HD1      ARG  27   0.571   2.283  12.388
  168    HE   ARG  27           HE       ARG  27   1.993   0.084  11.500
  169   HH11  ARG  27          HH11      ARG  27   0.369   1.069  14.427
  170   HH12  ARG  27          HH12      ARG  27  -0.036  -0.548  14.896
  171   HH21  ARG  27          HH21      ARG  27   1.461  -2.044  12.114
  172   HH22  ARG  27          HH22      ARG  27   0.585  -2.316  13.583
  173    H    CYS  28           HN       CYS  28   4.221   4.216   9.821
  174    HA   CYS  28           HA       CYS  28   6.674   2.969   8.900
  175    HB2  CYS  28           HB2      CYS  28   3.943   1.994   8.059
  176    HB3  CYS  28           HB1      CYS  28   5.429   1.604   7.201
  177    H    CYS  29           HN       CYS  29   5.164   5.653   8.897
  178    HA   CYS  29           HA       CYS  29   5.830   6.281   6.132
  179    HB2  CYS  29           HB2      CYS  29   3.741   7.398   5.665
  180    HB3  CYS  29           HB1      CYS  29   3.409   5.731   6.120
  181    H    ASN  30           HN       ASN  30   6.569   8.280   5.796
  182    HA   ASN  30           HA       ASN  30   7.008   9.925   8.175
  183    HB2  ASN  30           HB2      ASN  30   8.285   9.858   5.453
  184    HB3  ASN  30           HB1      ASN  30   8.540  11.176   6.575
  185   HD21  ASN  30          HD21      ASN  30   8.778  10.020   8.955
  186   HD22  ASN  30          HD22      ASN  30  10.116   8.927   8.992
  187    H    ALA  31           HN       ALA  31   5.314  11.114   8.524
  188    HA   ALA  31           HA       ALA  31   3.875  12.450   6.405
  189    HB1  ALA  31           HB1      ALA  31   3.601  12.464   9.406
  190    HB2  ALA  31           HB2      ALA  31   2.521  11.733   8.225
  191    HB3  ALA  31           HB3      ALA  31   2.623  13.485   8.356
  192    H    ALA  32           HN       ALA  32   6.491  12.980   8.529
  193    HA   ALA  32           HA       ALA  32   6.528  15.869   7.985
  194    HB1  ALA  32           HB1      ALA  32   7.881  14.163  10.056
  195    HB2  ALA  32           HB2      ALA  32   6.710  15.462  10.299
  196    HB3  ALA  32           HB3      ALA  32   8.346  15.838   9.756
  197    H    THR  33           HN       THR  33   7.739  13.064   6.687
  198    HA   THR  33           HA       THR  33  10.144  14.456   5.736
  199    HB   THR  33           HB       THR  33  10.439  11.590   5.608
  200    HG1  THR  33           HG1      THR  33  10.575  11.377   7.949
  201   HG21  THR  33          HG21      THR  33  12.508  11.977   6.456
  202   HG22  THR  33          HG22      THR  33  11.953  13.287   7.498
  203   HG23  THR  33          HG23      THR  33  12.153  13.561   5.766
  204    H    CYS  34           HN       CYS  34   7.216  13.321   4.754
  205    HA   CYS  34           HA       CYS  34   6.282  12.960   2.717
  206    HB2  CYS  34           HB2      CYS  34   7.336  15.009   2.074
  207    HB3  CYS  34           HB1      CYS  34   8.883  14.210   1.843
  208    H    LYS  35           HN       LYS  35   7.449  10.621   3.827
  209    HA   LYS  35           HA       LYS  35   7.522   8.985   1.550
  210    HB2  LYS  35           HB2      LYS  35  10.086  10.156   2.263
  211    HB3  LYS  35           HB1      LYS  35  10.137   8.399   2.232
  212    HG2  LYS  35           HG2      LYS  35   8.766   9.600  -0.058
  213    HG3  LYS  35           HG1      LYS  35  10.477  10.012   0.071
  214    HD2  LYS  35           HD2      LYS  35   9.764   7.175   0.496
  215    HD3  LYS  35           HD1      LYS  35   9.583   7.794  -1.147
  216    HE2  LYS  35           HE2      LYS  35  11.778   7.691  -1.470
  217    HE3  LYS  35           HE1      LYS  35  12.069   8.699  -0.052
  218    HZ1  LYS  35           HZ1      LYS  35  11.454   5.851   0.320
  219    HZ2  LYS  35           HZ2      LYS  35  12.380   6.884   1.286
  220    HZ3  LYS  35           HZ3      LYS  35  13.012   6.296  -0.168
  221    H    LEU  36           HN       LEU  36   7.314   6.853   2.040
  222    HA   LEU  36           HA       LEU  36   6.682   6.082   4.628
  223    HB2  LEU  36           HB2      LEU  36   7.478   3.701   3.572
  224    HB3  LEU  36           HB1      LEU  36   5.896   4.420   3.368
  225    HG   LEU  36           HG       LEU  36   6.446   5.222   1.190
  226   HD11  LEU  36          HD11      LEU  36   9.089   4.066   0.900
  227   HD12  LEU  36          HD12      LEU  36   9.045   5.363   2.092
  228   HD13  LEU  36          HD13      LEU  36   8.492   5.663   0.446
  229   HD21  LEU  36          HD21      LEU  36   6.019   2.693   1.696
  230   HD22  LEU  36          HD22      LEU  36   7.682   2.516   1.132
  231   HD23  LEU  36          HD23      LEU  36   6.462   3.224   0.073
  232    H    THR  37           HN       THR  37   7.783   4.999   6.279
  233    HA   THR  37           HA       THR  37  10.585   5.635   6.414
  234    HB   THR  37           HB       THR  37  10.274   4.346   8.690
  235    HG1  THR  37           HG1      THR  37   7.619   5.145   8.409
  236   HG21  THR  37          HG21      THR  37   9.746   6.318   9.770
  237   HG22  THR  37          HG22      THR  37   8.699   6.874   8.463
  238   HG23  THR  37          HG23      THR  37  10.450   6.876   8.252
  239    HA   PRO  38           HA       PRO  38  12.644   1.968   5.166
  240    HB2  PRO  38           HB2      PRO  38  13.894   1.973   7.878
  241    HB3  PRO  38           HB1      PRO  38  14.657   1.856   6.288
  242    HG2  PRO  38           HG2      PRO  38  14.726   4.137   7.650
  243    HG3  PRO  38           HG1      PRO  38  14.490   4.137   5.892
  244    HD2  PRO  38           HD2      PRO  38  12.514   4.615   8.071
  245    HD3  PRO  38           HD1      PRO  38  12.603   5.329   6.449
  246    H    GLY  39           HN       GLY  39  12.457  -0.233   5.314
  247    HA2  GLY  39           HA2      GLY  39  11.941  -2.293   6.309
  248    HA3  GLY  39           HA1      GLY  39  11.356  -1.437   7.728
  249    H    SER  40           HN       SER  40   9.831   0.299   5.621
  250    HA   SER  40           HA       SER  40   7.547  -1.545   5.418
  251    HB2  SER  40           HB2      SER  40   7.025   0.301   6.873
  252    HB3  SER  40           HB1      SER  40   7.637   1.466   5.700
  253    HG   SER  40           HG       SER  40   5.772   1.424   4.746
  254    H    GLN  41           HN       GLN  41   7.137  -2.239   3.433
  255    HA   GLN  41           HA       GLN  41   8.305  -1.038   1.121
  256    HB2  GLN  41           HB2      GLN  41   6.306  -3.265   1.497
  257    HB3  GLN  41           HB1      GLN  41   6.835  -2.731  -0.093
  258    HG2  GLN  41           HG2      GLN  41   9.220  -3.116   1.075
  259    HG3  GLN  41           HG1      GLN  41   8.256  -4.303   1.952
  260   HE21  GLN  41          HE21      GLN  41   7.524  -6.103   0.910
  261   HE22  GLN  41          HE22      GLN  41   7.987  -6.528  -0.699
  262    H    CYS  42           HN       CYS  42   5.206  -0.873   2.708
  263    HA   CYS  42           HA       CYS  42   4.464   1.477   1.300
  264    HB2  CYS  42           HB2      CYS  42   2.529   0.663   0.098
  265    HB3  CYS  42           HB1      CYS  42   3.954  -0.215  -0.446
  266    H    ASN  43           HN       ASN  43   2.366   2.303   1.983
  267    HA   ASN  43           HA       ASN  43   1.635   1.280   4.637
  268    HB2  ASN  43           HB2      ASN  43   2.557   3.619   4.532
  269    HB3  ASN  43           HB1      ASN  43   1.154   4.068   3.566
  270   HD21  ASN  43          HD21      ASN  43  -0.893   4.081   4.529
  271   HD22  ASN  43          HD22      ASN  43  -1.085   4.151   6.244
  272    H    TYR  44           HN       TYR  44   0.496   2.257   1.487
  273    HA   TYR  44           HA       TYR  44  -2.062   0.960   2.052
  274    HB2  TYR  44           HB2      TYR  44  -3.418   2.743   1.520
  275    HB3  TYR  44           HB1      TYR  44  -2.087   3.590   2.296
  276    HD1  TYR  44           HD2      TYR  44  -3.472   2.641  -1.015
  277    HD2  TYR  44           HD1      TYR  44  -0.870   5.236   1.129
  278    HE1  TYR  44           HE2      TYR  44  -3.186   4.011  -3.034
  279    HE2  TYR  44           HE1      TYR  44  -0.577   6.615  -0.886
  280    HH   TYR  44           HH       TYR  44  -2.546   6.259  -3.660
  281    H    GLY  45           HN       GLY  45  -3.075   0.065   0.232
  282    HA2  GLY  45           HA2      GLY  45  -2.804   0.377  -2.390
  283    HA3  GLY  45           HA1      GLY  45  -1.261  -0.371  -2.008
  284    H    GLU  46           HN       GLU  46  -3.019  -1.560  -3.761
  285    HA   GLU  46           HA       GLU  46  -4.800  -3.412  -2.650
  286    HB2  GLU  46           HB2      GLU  46  -3.350  -3.145  -5.233
  287    HB3  GLU  46           HB1      GLU  46  -4.033  -4.721  -4.855
  288    HG2  GLU  46           HG2      GLU  46  -6.002  -4.023  -5.565
  289    HG3  GLU  46           HG1      GLU  46  -6.024  -2.812  -4.284
  290    H    CYS  47           HN       CYS  47  -1.338  -3.593  -3.266
  291    HA   CYS  47           HA       CYS  47  -1.258  -6.290  -2.120
  292    HB2  CYS  47           HB2      CYS  47  -0.082  -5.500  -4.348
  293    HB3  CYS  47           HB1      CYS  47   1.154  -4.924  -3.236
  294    H    CYS  48           HN       CYS  48  -1.652  -3.812  -0.531
  295    HA   CYS  48           HA       CYS  48   0.851  -3.710   0.988
  296    HB2  CYS  48           HB2      CYS  48  -0.785  -1.691   0.185
  297    HB3  CYS  48           HB1      CYS  48  -1.393  -1.981   1.811
  298    H    ASP  49           HN       ASP  49   1.052  -4.531   2.992
  299    HA   ASP  49           HA       ASP  49  -1.252  -5.102   4.627
  300    HB2  ASP  49           HB2      ASP  49  -0.673  -7.070   2.882
  301    HB3  ASP  49           HB1      ASP  49   0.407  -7.520   4.198
  302    H    GLN  50           HN       GLN  50  -0.496  -4.086   6.379
  303    HA   GLN  50           HA       GLN  50   0.801  -3.534   8.165
  304    HB2  GLN  50           HB2      GLN  50   0.327  -6.071   8.424
  305    HB3  GLN  50           HB1      GLN  50   2.023  -6.271   8.005
  306    HG2  GLN  50           HG2      GLN  50   2.747  -5.140   9.924
  307    HG3  GLN  50           HG1      GLN  50   1.147  -4.465  10.231
  308   HE21  GLN  50          HE21      GLN  50   3.304  -6.927  10.960
  309   HE22  GLN  50          HE22      GLN  50   2.229  -7.964  11.828
  310    H    CYS  51           HN       CYS  51   1.936  -2.241   6.323
  311    HA   CYS  51           HA       CYS  51   3.852  -1.367   5.456
  312    HB2  CYS  51           HB2      CYS  51   5.322  -2.708   7.712
  313    HB3  CYS  51           HB1      CYS  51   5.674  -1.168   6.938
  314    H    ARG  52           HN       ARG  52   3.120  -4.235   4.771
  315    HA   ARG  52           HA       ARG  52   5.649  -4.847   3.446
  316    HB2  ARG  52           HB2      ARG  52   4.084  -6.935   4.973
  317    HB3  ARG  52           HB1      ARG  52   5.553  -7.205   4.046
  318    HG2  ARG  52           HG2      ARG  52   5.448  -5.353   6.408
  319    HG3  ARG  52           HG1      ARG  52   5.805  -7.074   6.554
  320    HD2  ARG  52           HD2      ARG  52   7.387  -4.940   5.154
  321    HD3  ARG  52           HD1      ARG  52   7.901  -6.018   6.450
  322    HE   ARG  52           HE       ARG  52   7.995  -6.543   3.658
  323   HH11  ARG  52          HH11      ARG  52   7.507  -8.074   6.756
  324   HH12  ARG  52          HH12      ARG  52   8.044  -9.628   6.212
  325   HH21  ARG  52          HH21      ARG  52   8.702  -8.585   2.942
  326   HH22  ARG  52          HH22      ARG  52   8.723  -9.918   4.048
  327    H    PHE  53           HN       PHE  53   5.421  -5.896   1.470
  328    HA   PHE  53           HA       PHE  53   2.900  -5.555   0.197
  329    HB2  PHE  53           HB2      PHE  53   5.528  -6.713  -0.693
  330    HB3  PHE  53           HB1      PHE  53   4.101  -6.812  -1.720
  331    HD1  PHE  53           HD2      PHE  53   2.925  -4.112  -0.953
  332    HD2  PHE  53           HD1      PHE  53   6.853  -5.320  -2.054
  333    HE1  PHE  53           HE2      PHE  53   3.372  -1.857  -1.795
  334    HE2  PHE  53           HE1      PHE  53   7.311  -3.055  -2.903
  335    HZ   PHE  53           HZ       PHE  53   5.569  -1.318  -2.775
  336    H    LYS  54           HN       LYS  54   1.361  -7.015  -0.376
  337    HA   LYS  54           HA       LYS  54   1.090  -9.369   1.126
  338    HB2  LYS  54           HB2      LYS  54  -0.392  -7.991  -0.963
  339    HB3  LYS  54           HB1      LYS  54  -0.482  -9.737  -1.153
  340    HG2  LYS  54           HG2      LYS  54  -1.639 -10.031   0.794
  341    HG3  LYS  54           HG1      LYS  54  -0.964  -8.583   1.543
  342    HD2  LYS  54           HD2      LYS  54  -2.685  -8.207  -0.843
  343    HD3  LYS  54           HD1      LYS  54  -3.476  -8.703   0.655
  344    HE2  LYS  54           HE2      LYS  54  -2.358  -6.798   1.800
  345    HE3  LYS  54           HE1      LYS  54  -1.741  -6.273   0.234
  346    HZ1  LYS  54           HZ1      LYS  54  -4.120  -6.192  -0.503
  347    HZ2  LYS  54           HZ2      LYS  54  -3.688  -5.036   0.653
  348    HZ3  LYS  54           HZ3      LYS  54  -4.567  -6.405   1.115
  349    H    LYS  55           HN       LYS  55   2.462 -11.017   0.989
  350    HA   LYS  55           HA       LYS  55   4.304 -11.703  -0.809
  351    HB2  LYS  55           HB2      LYS  55   3.870 -12.935   1.285
  352    HB3  LYS  55           HB1      LYS  55   2.485 -13.711   0.529
  353    HG2  LYS  55           HG2      LYS  55   4.022 -14.691  -1.156
  354    HG3  LYS  55           HG1      LYS  55   5.376 -14.014  -0.249
  355    HD2  LYS  55           HD2      LYS  55   4.453 -15.272   1.762
  356    HD3  LYS  55           HD1      LYS  55   3.422 -16.130   0.616
  357    HE2  LYS  55           HE2      LYS  55   5.174 -17.254  -0.331
  358    HE3  LYS  55           HE1      LYS  55   6.333 -15.977   0.038
  359    HZ1  LYS  55           HZ1      LYS  55   5.149 -17.460   2.269
  360    HZ2  LYS  55           HZ2      LYS  55   6.688 -16.774   2.127
  361    HZ3  LYS  55           HZ3      LYS  55   6.337 -18.231   1.343
  362    H    ALA  56           HN       ALA  56   4.463 -12.328  -2.855
  363    HA   ALA  56           HA       ALA  56   2.528 -12.215  -4.733
  364    HB1  ALA  56           HB1      ALA  56   5.054 -13.780  -4.594
  365    HB2  ALA  56           HB2      ALA  56   4.596 -12.465  -5.676
  366    HB3  ALA  56           HB3      ALA  56   3.943 -14.084  -5.930
  367    H    GLY  57           HN       GLY  57   0.784 -13.334  -5.292
  368    HA2  GLY  57           HA2      GLY  57  -0.192 -15.568  -5.713
  369    HA3  GLY  57           HA1      GLY  57   0.485 -16.058  -4.164
  370    H    THR  58           HN       THR  58  -0.358 -13.110  -3.400
  371    HA   THR  58           HA       THR  58  -2.855 -13.909  -2.201
  372    HB   THR  58           HB       THR  58  -1.308 -11.306  -2.169
  373    HG1  THR  58           HG1      THR  58  -0.298 -12.914  -1.000
  374   HG21  THR  58          HG21      THR  58  -4.001 -11.633  -1.497
  375   HG22  THR  58          HG22      THR  58  -2.945 -10.264  -1.131
  376   HG23  THR  58          HG23      THR  58  -3.112 -11.585   0.027
  377    H    VAL  59           HN       VAL  59  -4.572 -14.016  -3.552
  378    HA   VAL  59           HA       VAL  59  -4.874 -12.529  -5.906
  379    HB   VAL  59           HB       VAL  59  -6.108 -14.618  -5.499
  380   HG11  VAL  59          HG11      VAL  59  -7.548 -14.962  -3.809
  381   HG12  VAL  59          HG12      VAL  59  -8.215 -13.333  -3.908
  382   HG13  VAL  59          HG13      VAL  59  -6.696 -13.614  -3.057
  383   HG21  VAL  59          HG21      VAL  59  -7.268 -13.749  -7.201
  384   HG22  VAL  59          HG22      VAL  59  -7.308 -12.144  -6.470
  385   HG23  VAL  59          HG23      VAL  59  -8.495 -13.358  -5.996
  386    H    CYS  60           HN       CYS  60  -5.376 -10.474  -6.232
  387    HA   CYS  60           HA       CYS  60  -6.750  -9.015  -4.061
  388    HB2  CYS  60           HB2      CYS  60  -5.202  -7.661  -6.246
  389    HB3  CYS  60           HB1      CYS  60  -5.620  -7.052  -4.649
  390    H    ARG  61           HN       ARG  61  -6.963 -10.012  -7.339
  391    HA   ARG  61           HA       ARG  61  -9.589  -8.799  -7.563
  392    HB2  ARG  61           HB2      ARG  61  -7.452  -7.411  -8.609
  393    HB3  ARG  61           HB1      ARG  61  -8.021  -8.326  -9.997
  394    HG2  ARG  61           HG2      ARG  61 -10.355  -7.410  -9.302
  395    HG3  ARG  61           HG1      ARG  61  -9.410  -6.202  -8.431
  396    HD2  ARG  61           HD2      ARG  61  -9.722  -6.635 -11.350
  397    HD3  ARG  61           HD1      ARG  61  -9.612  -5.131 -10.438
  398    HE   ARG  61           HE       ARG  61  -7.488  -6.522 -11.692
  399   HH11  ARG  61          HH11      ARG  61  -8.257  -4.516  -8.949
  400   HH12  ARG  61          HH12      ARG  61  -6.623  -3.993  -8.715
  401   HH21  ARG  61          HH21      ARG  61  -5.337  -5.867 -11.371
  402   HH22  ARG  61          HH22      ARG  61  -4.964  -4.754 -10.099
  403    H    ILE  62           HN       ILE  62 -10.354  -9.307  -9.987
  404    HA   ILE  62           HA       ILE  62  -9.425 -11.580 -11.303
  405    HB   ILE  62           HB       ILE  62 -10.033 -12.914  -9.422
  406   HG12  ILE  62          HG12      ILE  62 -11.783 -14.374 -10.355
  407   HG13  ILE  62          HG11      ILE  62 -12.241 -13.105 -11.485
  408   HG21  ILE  62          HG21      ILE  62 -11.986 -12.764  -8.190
  409   HG22  ILE  62          HG22      ILE  62 -12.860 -11.951  -9.490
  410   HG23  ILE  62          HG23      ILE  62 -11.635 -11.078  -8.570
  411   HD11  ILE  62          HD11      ILE  62  -9.842 -14.862 -11.477
  412   HD12  ILE  62          HD12      ILE  62  -9.745 -13.268 -12.224
  413   HD13  ILE  62          HD13      ILE  62 -10.930 -14.440 -12.799
  414    H    ALA  63           HN       ALA  63 -10.371 -11.672 -13.241
  415    HA   ALA  63           HA       ALA  63 -12.024  -9.646 -14.124
  416    HB1  ALA  63           HB1      ALA  63 -11.323 -10.462 -16.051
  417    HB2  ALA  63           HB2      ALA  63 -12.443 -11.809 -15.876
  418    HB3  ALA  63           HB3      ALA  63 -10.794 -11.947 -15.266
  419    H    ARG  64           HN       ARG  64 -13.393 -12.807 -14.785
  420    HA   ARG  64           HA       ARG  64 -15.661 -12.242 -13.034
  421    HB2  ARG  64           HB2      ARG  64 -15.761 -12.400 -16.023
  422    HB3  ARG  64           HB1      ARG  64 -17.141 -12.940 -15.076
  423    HG2  ARG  64           HG2      ARG  64 -15.905 -10.196 -14.955
  424    HG3  ARG  64           HG1      ARG  64 -17.383 -10.625 -15.820
  425    HD2  ARG  64           HD2      ARG  64 -18.301 -11.423 -13.611
  426    HD3  ARG  64           HD1      ARG  64 -16.896 -10.680 -12.849
  427    HE   ARG  64           HE       ARG  64 -18.043  -8.724 -14.422
  428   HH11  ARG  64          HH11      ARG  64 -19.005 -10.691 -11.705
  429   HH12  ARG  64          HH12      ARG  64 -20.098  -9.506 -11.074
  430   HH21  ARG  64          HH21      ARG  64 -19.481  -7.164 -13.593
  431   HH22  ARG  64          HH22      ARG  64 -20.369  -7.504 -12.146
  432    H    GLY  65           HN       GLY  65 -14.931 -14.065 -11.830
  433    HA2  GLY  65           HA2      GLY  65 -16.027 -16.338 -11.667
  434    HA3  GLY  65           HA1      GLY  65 -15.275 -16.641 -13.228
  435    H    ASP  66           HN       ASP  66 -13.283 -17.446 -13.288
  436    HA   ASP  66           HA       ASP  66 -11.242 -16.972 -11.463
  437    HB2  ASP  66           HB2      ASP  66 -11.188 -19.257 -10.352
  438    HB3  ASP  66           HB1      ASP  66 -12.433 -18.153  -9.777
  439    H    TRP  67           HN       TRP  67 -10.097 -16.856 -13.352
  440    HA   TRP  67           HA       TRP  67  -9.529 -19.426 -14.679
  441    HB2  TRP  67           HB2      TRP  67  -8.739 -17.365 -16.417
  442    HB3  TRP  67           HB1      TRP  67 -10.119 -18.439 -16.606
  443    HD1  TRP  67           HD1      TRP  67  -9.418 -15.077 -14.736
  444    HE1  TRP  67           HE1      TRP  67 -11.506 -13.618 -14.966
  445    HE3  TRP  67           HE3      TRP  67 -12.368 -18.317 -17.355
  446    HZ2  TRP  67           HZ2      TRP  67 -14.074 -13.805 -16.126
  447    HZ3  TRP  67           HZ3      TRP  67 -14.633 -17.597 -17.995
  448    HH2  TRP  67           HH2      TRP  67 -15.468 -15.383 -17.391
  449    H    ASN  68           HN       ASN  68  -8.102 -16.209 -14.571
  450    HA   ASN  68           HA       ASN  68  -5.472 -17.396 -14.042
  451    HB2  ASN  68           HB2      ASN  68  -5.898 -14.538 -14.870
  452    HB3  ASN  68           HB1      ASN  68  -4.495 -15.569 -15.134
  453   HD21  ASN  68          HD21      ASN  68  -7.872 -15.105 -16.067
  454   HD22  ASN  68          HD22      ASN  68  -7.707 -15.757 -17.657
  455    H    ASP  69           HN       ASP  69  -7.801 -15.002 -12.999
  456    HA   ASP  69           HA       ASP  69  -8.090 -13.844 -11.075
  457    HB2  ASP  69           HB2      ASP  69  -6.670 -16.308 -10.237
  458    HB3  ASP  69           HB1      ASP  69  -6.700 -14.988  -9.072
  459    H    ASP  70           HN       ASP  70  -7.268 -12.000 -10.282
  460    HA   ASP  70           HA       ASP  70  -4.646 -11.189 -11.053
  461    HB2  ASP  70           HB2      ASP  70  -6.432  -9.547 -10.928
  462    HB3  ASP  70           HB1      ASP  70  -6.694  -9.914  -9.232
  463    H    TYR  71           HN       TYR  71  -2.770 -11.159  -9.861
  464    HA   TYR  71           HA       TYR  71  -3.007 -11.937  -7.040
  465    HB2  TYR  71           HB2      TYR  71  -1.594 -13.410  -9.207
  466    HB3  TYR  71           HB1      TYR  71  -0.945 -13.455  -7.568
  467    HD1  TYR  71           HD2      TYR  71  -2.590 -14.077  -5.709
  468    HD2  TYR  71           HD1      TYR  71  -3.285 -14.888  -9.813
  469    HE1  TYR  71           HE2      TYR  71  -4.202 -15.806  -5.070
  470    HE2  TYR  71           HE1      TYR  71  -4.918 -16.615  -9.206
  471    HH   TYR  71           HH       TYR  71  -6.251 -16.912  -6.188
  472    H    CYS  72           HN       CYS  72  -1.450 -11.363  -5.672
  473    HA   CYS  72           HA       CYS  72   0.050  -9.036  -6.214
  474    HB2  CYS  72           HB2      CYS  72  -0.389 -10.861  -3.953
  475    HB3  CYS  72           HB1      CYS  72   1.202 -10.107  -3.961
  476    H    THR  73           HN       THR  73   2.424  -8.854  -5.942
  477    HA   THR  73           HA       THR  73   3.822 -11.215  -7.014
  478    HB   THR  73           HB       THR  73   5.108  -9.868  -8.465
  479    HG1  THR  73           HG1      THR  73   5.222  -7.676  -8.321
  480   HG21  THR  73          HG21      THR  73   2.374  -9.888  -8.744
  481   HG22  THR  73          HG22      THR  73   3.547  -9.408  -9.970
  482   HG23  THR  73          HG23      THR  73   2.798  -8.187  -8.940
  483    H    GLY  74           HN       GLY  74   3.543  -9.267  -4.377
  484    HA2  GLY  74           HA2      GLY  74   4.862  -8.869  -2.545
  485    HA3  GLY  74           HA1      GLY  74   5.783 -10.274  -3.059
  486    H    LYS  75           HN       LYS  75   5.541  -7.593  -5.229
  487    HA   LYS  75           HA       LYS  75   8.176  -6.610  -4.393
  488    HB2  LYS  75           HB2      LYS  75   7.492  -7.078  -7.289
  489    HB3  LYS  75           HB1      LYS  75   9.060  -6.685  -6.597
  490    HG2  LYS  75           HG2      LYS  75   8.438  -9.014  -5.314
  491    HG3  LYS  75           HG1      LYS  75   7.738  -9.267  -6.914
  492    HD2  LYS  75           HD2      LYS  75  10.129  -8.227  -7.599
  493    HD3  LYS  75           HD1      LYS  75  10.562  -9.033  -6.090
  494    HE2  LYS  75           HE2      LYS  75  10.909 -10.567  -7.899
  495    HE3  LYS  75           HE1      LYS  75   9.515 -11.109  -6.965
  496    HZ1  LYS  75           HZ1      LYS  75   9.650 -10.136  -9.695
  497    HZ2  LYS  75           HZ2      LYS  75   8.328  -9.586  -8.796
  498    HZ3  LYS  75           HZ3      LYS  75   8.585 -11.247  -8.991
  499    H    SER  76           HN       SER  76   5.137  -5.751  -4.645
  500    HA   SER  76           HA       SER  76   5.648  -2.993  -4.851
  501    HB2  SER  76           HB2      SER  76   4.829  -4.389  -7.343
  502    HB3  SER  76           HB1      SER  76   4.029  -2.858  -6.989
  503    HG   SER  76           HG       SER  76   5.762  -1.996  -7.793
  504    H    SER  77           HN       SER  77   3.566  -1.710  -4.934
  505    HA   SER  77           HA       SER  77   1.612  -3.050  -3.245
  506    HB2  SER  77           HB2      SER  77   0.978  -0.290  -3.859
  507    HB3  SER  77           HB1      SER  77   1.342  -1.032  -2.302
  508    HG   SER  77           HG       SER  77   3.010   0.312  -4.073
  509    H    ASP  78           HN       ASP  78   1.957  -3.136  -6.388
  510    HA   ASP  78           HA       ASP  78  -0.885  -2.639  -6.978
  511    HB2  ASP  78           HB2      ASP  78   1.375  -1.667  -8.291
  512    HB3  ASP  78           HB1      ASP  78   0.791  -2.965  -9.329
  513    H    CYS  79           HN       CYS  79  -2.111  -4.335  -7.366
  514    HA   CYS  79           HA       CYS  79  -0.868  -6.951  -7.797
  515    HB2  CYS  79           HB2      CYS  79  -3.005  -6.106  -6.232
  516    HB3  CYS  79           HB1      CYS  79  -3.779  -6.908  -7.595
  517    HA   PRO  80           HA       PRO  80  -2.010  -6.248 -12.121
  518    HB2  PRO  80           HB2      PRO  80  -0.571  -8.274 -13.164
  519    HB3  PRO  80           HB1      PRO  80   0.162  -6.745 -12.666
  520    HG2  PRO  80           HG2      PRO  80   0.072  -9.363 -11.220
  521    HG3  PRO  80           HG1      PRO  80   1.419  -8.222 -11.386
  522    HD2  PRO  80           HD2      PRO  80  -0.152  -8.373  -9.163
  523    HD3  PRO  80           HD1      PRO  80   0.656  -6.884  -9.685
  524    H    TRP  81           HN       TRP  81  -3.493  -7.116 -13.435
  525    HA   TRP  81           HA       TRP  81  -4.570  -9.759 -12.770
  526    HB2  TRP  81           HB2      TRP  81  -6.825  -8.908 -13.286
  527    HB3  TRP  81           HB1      TRP  81  -6.105  -8.103 -11.903
  528    HD1  TRP  81           HD1      TRP  81  -4.467  -5.815 -13.252
  529    HE1  TRP  81           HE1      TRP  81  -5.675  -3.919 -14.475
  530    HE3  TRP  81           HE3      TRP  81  -8.866  -8.185 -14.211
  531    HZ2  TRP  81           HZ2      TRP  81  -8.188  -3.475 -15.669
  532    HZ3  TRP  81           HZ3      TRP  81 -10.642  -6.954 -15.401
  533    HH2  TRP  81           HH2      TRP  81 -10.303  -4.645 -16.119
  534    H    ASN  82           HN       ASN  82  -3.252 -10.517 -14.464
  535    HA   ASN  82           HA       ASN  82  -3.233  -9.642 -17.100
  536    HB2  ASN  82           HB2      ASN  82  -2.981 -12.523 -16.226
  537    HB3  ASN  82           HB1      ASN  82  -2.307 -11.785 -17.675
  538   HD21  ASN  82          HD21      ASN  82  -1.781 -12.586 -14.451
  539   HD22  ASN  82          HD22      ASN  82  -0.285 -11.752 -14.225
  540    H    HIS  83           HN       HIS  83  -5.412  -9.062 -17.550
  541    HA   HIS  83           HA       HIS  83  -6.948 -11.299 -18.632
  542    HB2  HIS  83           HB2      HIS  83  -8.107  -9.213 -16.773
  543    HB3  HIS  83           HB1      HIS  83  -9.057 -10.372 -17.698
  544    HD1  HIS  83           HD1      HIS  83  -8.092  -9.934 -14.417
  545    HD2  HIS  83           HD2      HIS  83  -7.758 -13.158 -17.012
  546    HE1  HIS  83           HE1      HIS  83  -7.833 -11.954 -12.945
  547    HE2  HIS  83           HE2      HIS  83  -7.747 -13.903 -14.538
  Start of MODEL   23
    1    H1   SER   1           HT1      SER   1  -5.664  16.316  19.775
    2    H2   SER   1           HT2      SER   1  -4.764  14.951  19.254
    3    H3   SER   1           HT3      SER   1  -4.577  16.460  18.459
    4    HA   SER   1           HA       SER   1  -3.996  17.207  20.885
    5    HB2  SER   1           HB2      SER   1  -3.844  14.275  20.834
    6    HB3  SER   1           HB1      SER   1  -2.360  15.045  21.395
    7    HG   SER   1           HG       SER   1  -4.772  14.816  22.633
    8    HA   PRO   2           HA       PRO   2   0.038  16.595  18.459
    9    HB2  PRO   2           HB2      PRO   2   0.340  14.633  16.687
   10    HB3  PRO   2           HB1      PRO   2   0.379  14.295  18.421
   11    HG2  PRO   2           HG2      PRO   2  -1.802  13.819  16.446
   12    HG3  PRO   2           HG1      PRO   2  -1.318  12.842  17.842
   13    HD2  PRO   2           HD2      PRO   2  -3.440  14.681  17.748
   14    HD3  PRO   2           HD1      PRO   2  -2.741  13.960  19.211
   15    HA   PRO   3           HA       PRO   3  -1.164  18.835  14.814
   16    HB2  PRO   3           HB2      PRO   3   1.224  19.714  13.985
   17    HB3  PRO   3           HB1      PRO   3   0.493  20.302  15.484
   18    HG2  PRO   3           HG2      PRO   3   2.635  18.249  15.097
   19    HG3  PRO   3           HG1      PRO   3   2.522  19.534  16.313
   20    HD2  PRO   3           HD2      PRO   3   1.853  16.905  16.773
   21    HD3  PRO   3           HD1      PRO   3   1.197  18.276  17.688
   22    H    VAL   4           HN       VAL   4  -1.730  18.154  12.864
   23    HA   VAL   4           HA       VAL   4  -0.770  15.830  11.701
   24    HB   VAL   4           HB       VAL   4  -3.030  16.721  11.388
   25   HG11  VAL   4          HG11      VAL   4  -2.022  18.765   9.470
   26   HG12  VAL   4          HG12      VAL   4  -2.043  19.134  11.194
   27   HG13  VAL   4          HG13      VAL   4  -3.540  18.707  10.365
   28   HG21  VAL   4          HG21      VAL   4  -3.112  16.531   8.889
   29   HG22  VAL   4          HG22      VAL   4  -2.393  15.181   9.751
   30   HG23  VAL   4          HG23      VAL   4  -1.363  16.357   8.929
   31    H    CYS   5           HN       CYS   5   1.454  16.019  11.471
   32    HA   CYS   5           HA       CYS   5   2.710  18.204  10.163
   33    HB2  CYS   5           HB2      CYS   5   4.258  15.765   9.894
   34    HB3  CYS   5           HB1      CYS   5   4.621  17.213  10.812
   35    H    GLY   6           HN       GLY   6   1.859  18.666   8.217
   36    HA2  GLY   6           HA2      GLY   6   2.179  18.435   5.860
   37    HA3  GLY   6           HA1      GLY   6   2.314  16.697   6.083
   38    H    ASN   7           HN       ASN   7  -0.216  18.030   7.904
   39    HA   ASN   7           HA       ASN   7  -2.481  17.913   7.776
   40    HB2  ASN   7           HB2      ASN   7  -1.670  18.660   5.010
   41    HB3  ASN   7           HB1      ASN   7  -3.316  18.065   5.214
   42   HD21  ASN   7          HD21      ASN   7  -4.459  19.085   7.160
   43   HD22  ASN   7          HD22      ASN   7  -4.298  20.799   7.309
   44    H    LYS   8           HN       LYS   8  -4.107  16.331   7.557
   45    HA   LYS   8           HA       LYS   8  -3.314  13.697   7.311
   46    HB2  LYS   8           HB2      LYS   8  -5.514  14.684   8.263
   47    HB3  LYS   8           HB1      LYS   8  -6.119  14.518   6.620
   48    HG2  LYS   8           HG2      LYS   8  -4.996  12.271   8.283
   49    HG3  LYS   8           HG1      LYS   8  -6.711  12.611   8.054
   50    HD2  LYS   8           HD2      LYS   8  -5.879  12.503   5.479
   51    HD3  LYS   8           HD1      LYS   8  -4.763  11.356   6.225
   52    HE2  LYS   8           HE2      LYS   8  -7.068  10.566   7.360
   53    HE3  LYS   8           HE1      LYS   8  -7.686  11.189   5.831
   54    HZ1  LYS   8           HZ1      LYS   8  -7.155   8.838   5.682
   55    HZ2  LYS   8           HZ2      LYS   8  -5.552   9.144   6.124
   56    HZ3  LYS   8           HZ3      LYS   8  -6.152   9.738   4.659
   57    H    ILE   9           HN       ILE   9  -2.459  12.736   5.611
   58    HA   ILE   9           HA       ILE   9  -2.543  13.633   2.995
   59    HB   ILE   9           HB       ILE   9  -2.019  11.371   2.209
   60   HG12  ILE   9          HG12      ILE   9  -3.450  10.518   4.428
   61   HG13  ILE   9          HG11      ILE   9  -2.503   9.507   3.345
   62   HG21  ILE   9          HG21      ILE   9  -0.257  12.796   3.012
   63   HG22  ILE   9          HG22      ILE   9   0.080  11.120   3.448
   64   HG23  ILE   9          HG23      ILE   9  -0.529  12.243   4.662
   65   HD11  ILE   9          HD11      ILE   9  -2.026   9.139   5.733
   66   HD12  ILE   9          HD12      ILE   9  -1.438  10.796   5.834
   67   HD13  ILE   9          HD13      ILE   9  -0.612   9.633   4.802
   68    H    LEU  10           HN       LEU  10  -4.066  13.864   1.557
   69    HA   LEU  10           HA       LEU  10  -6.610  12.520   1.955
   70    HB2  LEU  10           HB2      LEU  10  -7.359  14.060   0.092
   71    HB3  LEU  10           HB1      LEU  10  -6.885  14.822   1.597
   72    HG   LEU  10           HG       LEU  10  -6.129  15.840  -0.669
   73   HD11  LEU  10          HD11      LEU  10  -3.741  16.126   0.626
   74   HD12  LEU  10          HD12      LEU  10  -4.832  15.662   1.931
   75   HD13  LEU  10          HD13      LEU  10  -5.198  17.070   0.936
   76   HD21  LEU  10          HD21      LEU  10  -5.173  13.853  -1.653
   77   HD22  LEU  10          HD22      LEU  10  -4.049  13.693  -0.306
   78   HD23  LEU  10          HD23      LEU  10  -3.918  15.066  -1.404
   79    H    GLU  11           HN       GLU  11  -3.977  11.467   0.702
   80    HA   GLU  11           HA       GLU  11  -5.134   9.564  -0.990
   81    HB2  GLU  11           HB2      GLU  11  -4.397  10.274  -3.176
   82    HB3  GLU  11           HB1      GLU  11  -5.409  11.532  -2.481
   83    HG2  GLU  11           HG2      GLU  11  -3.796  13.007  -2.794
   84    HG3  GLU  11           HG1      GLU  11  -2.738  12.078  -1.728
   85    H    GLN  12           HN       GLN  12  -3.116   9.684   1.113
   86    HA   GLN  12           HA       GLN  12  -1.218   7.946  -0.065
   87    HB2  GLN  12           HB2      GLN  12   0.769   9.534   0.615
   88    HB3  GLN  12           HB1      GLN  12   0.032   9.624  -0.976
   89    HG2  GLN  12           HG2      GLN  12  -1.494  11.407   0.318
   90    HG3  GLN  12           HG1      GLN  12  -0.008  11.554   1.252
   91   HE21  GLN  12          HE21      GLN  12   1.979  11.403  -0.419
   92   HE22  GLN  12          HE22      GLN  12   1.886  12.589  -1.672
   93    H    GLY  13           HN       GLY  13  -2.296   6.901   1.825
   94    HA2  GLY  13           HA2      GLY  13  -1.493   7.710   4.468
   95    HA3  GLY  13           HA1      GLY  13  -2.345   6.236   4.045
   96    H    GLU  14           HN       GLU  14   0.656   7.157   2.537
   97    HA   GLU  14           HA       GLU  14   2.630   6.109   4.071
   98    HB2  GLU  14           HB2      GLU  14   0.941   3.983   2.930
   99    HB3  GLU  14           HB1      GLU  14   2.656   3.788   2.597
  100    HG2  GLU  14           HG2      GLU  14   3.176   3.381   4.761
  101    HG3  GLU  14           HG1      GLU  14   1.898   4.425   5.381
  102    H    ASP  15           HN       ASP  15   2.222   8.040   2.167
  103    HA   ASP  15           HA       ASP  15   4.180   7.270   0.121
  104    HB2  ASP  15           HB2      ASP  15   1.447   7.902  -0.308
  105    HB3  ASP  15           HB1      ASP  15   2.384   9.277  -0.889
  106    H    CYS  16           HN       CYS  16   2.456  10.064   1.538
  107    HA   CYS  16           HA       CYS  16   4.750  11.341   2.462
  108    HB2  CYS  16           HB2      CYS  16   5.467  11.628   0.213
  109    HB3  CYS  16           HB1      CYS  16   3.872  12.166  -0.298
  110    H    ASP  17           HN       ASP  17   4.371  13.494   3.263
  111    HA   ASP  17           HA       ASP  17   3.150  15.023   4.413
  112    HB2  ASP  17           HB2      ASP  17   1.577  14.588   1.921
  113    HB3  ASP  17           HB1      ASP  17   0.794  15.465   3.233
  114    H    CYS  18           HN       CYS  18   2.932  12.195   5.055
  115    HA   CYS  18           HA       CYS  18   0.634  10.996   5.574
  116    HB2  CYS  18           HB2      CYS  18   2.614  11.458   7.809
  117    HB3  CYS  18           HB1      CYS  18   1.510  10.104   7.631
  118    H    GLY  19           HN       GLY  19   1.660  13.921   7.264
  119    HA2  GLY  19           HA2      GLY  19   0.474  15.389   8.592
  120    HA3  GLY  19           HA1      GLY  19  -0.939  14.822   7.729
  121    H    SER  20           HN       SER  20  -1.693  12.547   8.490
  122    HA   SER  20           HA       SER  20  -2.619  12.782  11.055
  123    HB2  SER  20           HB2      SER  20  -3.357  10.539  10.920
  124    HB3  SER  20           HB1      SER  20  -3.413  11.176   9.278
  125    HG   SER  20           HG       SER  20  -1.859   9.851   8.697
  126    HA   PRO  21           HA       PRO  21   1.323  12.534  13.131
  127    HB2  PRO  21           HB2      PRO  21  -0.606  12.679  15.406
  128    HB3  PRO  21           HB1      PRO  21   0.877  13.600  15.128
  129    HG2  PRO  21           HG2      PRO  21  -1.499  14.722  14.702
  130    HG3  PRO  21           HG1      PRO  21  -0.140  15.034  13.607
  131    HD2  PRO  21           HD2      PRO  21  -2.519  13.275  13.216
  132    HD3  PRO  21           HD1      PRO  21  -1.654  14.263  12.025
  133    H    ALA  22           HN       ALA  22  -1.464  10.478  13.511
  134    HA   ALA  22           HA       ALA  22  -0.562   8.648  15.389
  135    HB1  ALA  22           HB1      ALA  22  -2.669   8.076  14.797
  136    HB2  ALA  22           HB2      ALA  22  -1.834   7.008  13.668
  137    HB3  ALA  22           HB3      ALA  22  -2.445   8.568  13.118
  138    H    ASN  23           HN       ASN  23   0.550   9.299  12.195
  139    HA   ASN  23           HA       ASN  23   2.324   6.958  12.284
  140    HB2  ASN  23           HB2      ASN  23   1.244   8.514   9.927
  141    HB3  ASN  23           HB1      ASN  23   2.514   7.298   9.800
  142   HD21  ASN  23          HD21      ASN  23   0.607   6.649   8.284
  143   HD22  ASN  23          HD22      ASN  23  -0.477   5.483   8.955
  144    H    CYS  24           HN       CYS  24   2.146  10.434  12.068
  145    HA   CYS  24           HA       CYS  24   4.567  11.142  10.997
  146    HB2  CYS  24           HB2      CYS  24   2.716  12.662  11.915
  147    HB3  CYS  24           HB1      CYS  24   3.519  12.500  13.473
  148    H    GLN  25           HN       GLN  25   6.259   9.814  11.399
  149    HA   GLN  25           HA       GLN  25   8.137   9.077  12.451
  150    HB2  GLN  25           HB2      GLN  25   7.474  10.831  14.805
  151    HB3  GLN  25           HB1      GLN  25   9.056  10.325  14.228
  152    HG2  GLN  25           HG2      GLN  25   7.799  11.749  12.131
  153    HG3  GLN  25           HG1      GLN  25   7.600  12.684  13.612
  154   HE21  GLN  25          HE21      GLN  25   9.465  13.351  14.750
  155   HE22  GLN  25          HE22      GLN  25  10.994  13.482  13.957
  156    H    ASP  26           HN       ASP  26   6.324   7.270  12.570
  157    HA   ASP  26           HA       ASP  26   6.788   5.860  14.973
  158    HB2  ASP  26           HB2      ASP  26   4.292   7.439  14.786
  159    HB3  ASP  26           HB1      ASP  26   4.104   5.774  15.330
  160    H    ARG  27           HN       ARG  27   3.794   5.881  13.071
  161    HA   ARG  27           HA       ARG  27   3.849   3.117  12.574
  162    HB2  ARG  27           HB2      ARG  27   1.966   5.037  12.336
  163    HB3  ARG  27           HB1      ARG  27   2.401   4.837  10.644
  164    HG2  ARG  27           HG2      ARG  27   0.758   3.287  10.763
  165    HG3  ARG  27           HG1      ARG  27   2.109   2.273  11.277
  166    HD2  ARG  27           HD2      ARG  27   1.403   2.189  13.438
  167    HD3  ARG  27           HD1      ARG  27   0.687   3.799  13.380
  168    HE   ARG  27           HE       ARG  27  -0.767   1.996  11.749
  169   HH11  ARG  27          HH11      ARG  27  -0.217   2.847  15.088
  170   HH12  ARG  27          HH12      ARG  27  -1.769   2.287  15.617
  171   HH21  ARG  27          HH21      ARG  27  -2.808   1.259  12.442
  172   HH22  ARG  27          HH22      ARG  27  -3.239   1.385  14.115
  173    H    CYS  28           HN       CYS  28   3.216   3.075   9.741
  174    HA   CYS  28           HA       CYS  28   5.940   3.003   8.736
  175    HB2  CYS  28           HB2      CYS  28   3.436   1.631   8.135
  176    HB3  CYS  28           HB1      CYS  28   4.304   2.126   6.686
  177    H    CYS  29           HN       CYS  29   4.184   5.521   9.065
  178    HA   CYS  29           HA       CYS  29   4.757   6.592   6.388
  179    HB2  CYS  29           HB2      CYS  29   2.253   6.146   6.936
  180    HB3  CYS  29           HB1      CYS  29   2.395   7.552   7.982
  181    H    ASN  30           HN       ASN  30   5.961   8.385   6.402
  182    HA   ASN  30           HA       ASN  30   6.475   9.657   8.991
  183    HB2  ASN  30           HB2      ASN  30   8.240   8.698   7.180
  184    HB3  ASN  30           HB1      ASN  30   8.143  10.387   6.685
  185   HD21  ASN  30          HD21      ASN  30   8.427   8.400   9.557
  186   HD22  ASN  30          HD22      ASN  30   9.557   9.412  10.384
  187    H    ALA  31           HN       ALA  31   5.005  11.183   9.263
  188    HA   ALA  31           HA       ALA  31   4.088  12.918   7.192
  189    HB1  ALA  31           HB1      ALA  31   3.558  14.178   9.609
  190    HB2  ALA  31           HB2      ALA  31   3.529  12.463  10.000
  191    HB3  ALA  31           HB3      ALA  31   2.481  13.095   8.740
  192    H    ALA  32           HN       ALA  32   6.972  12.692   8.864
  193    HA   ALA  32           HA       ALA  32   7.505  15.571   8.735
  194    HB1  ALA  32           HB1      ALA  32   9.458  15.087  10.129
  195    HB2  ALA  32           HB2      ALA  32   9.048  13.372  10.094
  196    HB3  ALA  32           HB3      ALA  32   7.957  14.524  10.867
  197    H    THR  33           HN       THR  33   8.749  12.446   7.529
  198    HA   THR  33           HA       THR  33  10.736  13.881   5.929
  199    HB   THR  33           HB       THR  33  11.434  11.603   5.178
  200    HG1  THR  33           HG1      THR  33  10.055  10.098   5.491
  201   HG21  THR  33          HG21      THR  33  12.218  10.794   7.458
  202   HG22  THR  33          HG22      THR  33  11.427  12.233   8.102
  203   HG23  THR  33          HG23      THR  33  12.741  12.396   6.937
  204    H    CYS  34           HN       CYS  34   7.568  13.211   5.664
  205    HA   CYS  34           HA       CYS  34   6.093  13.333   3.981
  206    HB2  CYS  34           HB2      CYS  34   6.993  15.112   2.884
  207    HB3  CYS  34           HB1      CYS  34   8.565  14.357   2.701
  208    H    LYS  35           HN       LYS  35   7.446  10.725   4.677
  209    HA   LYS  35           HA       LYS  35   6.139   9.260   2.678
  210    HB2  LYS  35           HB2      LYS  35   7.574   8.867   1.050
  211    HB3  LYS  35           HB1      LYS  35   8.556  10.159   1.721
  212    HG2  LYS  35           HG2      LYS  35   9.918   8.587   2.912
  213    HG3  LYS  35           HG1      LYS  35   8.843   7.257   2.471
  214    HD2  LYS  35           HD2      LYS  35   9.395   7.587   0.114
  215    HD3  LYS  35           HD1      LYS  35  10.469   8.918   0.550
  216    HE2  LYS  35           HE2      LYS  35  11.446   6.977   2.143
  217    HE3  LYS  35           HE1      LYS  35  10.855   6.002   0.798
  218    HZ1  LYS  35           HZ1      LYS  35  12.894   8.144   0.750
  219    HZ2  LYS  35           HZ2      LYS  35  12.129   7.615  -0.663
  220    HZ3  LYS  35           HZ3      LYS  35  13.049   6.533   0.255
  221    H    LEU  36           HN       LEU  36   6.422   6.983   2.742
  222    HA   LEU  36           HA       LEU  36   6.087   5.840   5.164
  223    HB2  LEU  36           HB2      LEU  36   6.697   3.694   4.173
  224    HB3  LEU  36           HB1      LEU  36   5.719   4.652   3.078
  225    HG   LEU  36           HG       LEU  36   8.684   4.790   2.803
  226   HD11  LEU  36          HD11      LEU  36   8.283   2.829   1.108
  227   HD12  LEU  36          HD12      LEU  36   6.991   2.410   2.233
  228   HD13  LEU  36          HD13      LEU  36   8.659   2.502   2.800
  229   HD21  LEU  36          HD21      LEU  36   7.897   4.801   0.357
  230   HD22  LEU  36          HD22      LEU  36   7.570   6.224   1.345
  231   HD23  LEU  36          HD23      LEU  36   6.286   5.059   1.026
  232    H    THR  37           HN       THR  37   7.404   4.401   6.486
  233    HA   THR  37           HA       THR  37  10.092   5.510   6.847
  234    HB   THR  37           HB       THR  37   9.917   4.278   9.081
  235    HG1  THR  37           HG1      THR  37   7.869   3.676   9.709
  236   HG21  THR  37          HG21      THR  37   8.101   6.551   8.377
  237   HG22  THR  37          HG22      THR  37   9.656   6.591   9.211
  238   HG23  THR  37          HG23      THR  37   8.237   5.925  10.020
  239    HA   PRO  38           HA       PRO  38  12.599   2.083   5.716
  240    HB2  PRO  38           HB2      PRO  38  13.159   1.785   8.648
  241    HB3  PRO  38           HB1      PRO  38  14.287   1.759   7.285
  242    HG2  PRO  38           HG2      PRO  38  14.049   3.940   8.774
  243    HG3  PRO  38           HG1      PRO  38  14.210   4.069   7.012
  244    HD2  PRO  38           HD2      PRO  38  11.817   4.468   8.728
  245    HD3  PRO  38           HD1      PRO  38  12.237   5.227   7.181
  246    H    GLY  39           HN       GLY  39  11.963   0.085   5.196
  247    HA2  GLY  39           HA2      GLY  39  11.481  -2.182   5.944
  248    HA3  GLY  39           HA1      GLY  39  10.482  -1.486   7.212
  249    H    SER  40           HN       SER  40   9.066   0.397   5.702
  250    HA   SER  40           HA       SER  40   6.962  -1.162   4.705
  251    HB2  SER  40           HB2      SER  40   6.525   1.069   5.507
  252    HB3  SER  40           HB1      SER  40   7.610   1.767   4.305
  253    HG   SER  40           HG       SER  40   5.001   1.098   4.075
  254    H    GLN  41           HN       GLN  41   7.309  -2.517   3.041
  255    HA   GLN  41           HA       GLN  41   9.006  -1.899   0.833
  256    HB2  GLN  41           HB2      GLN  41   7.493  -4.180   1.792
  257    HB3  GLN  41           HB1      GLN  41   7.342  -4.004   0.048
  258    HG2  GLN  41           HG2      GLN  41   9.966  -3.701   0.226
  259    HG3  GLN  41           HG1      GLN  41   9.721  -4.638   1.699
  260   HE21  GLN  41          HE21      GLN  41   8.373  -4.700  -1.586
  261   HE22  GLN  41          HE22      GLN  41   8.652  -6.385  -1.851
  262    H    CYS  42           HN       CYS  42   5.607  -1.529   1.485
  263    HA   CYS  42           HA       CYS  42   5.128  -0.775  -1.313
  264    HB2  CYS  42           HB2      CYS  42   2.758  -1.037  -0.826
  265    HB3  CYS  42           HB1      CYS  42   3.634  -2.491  -0.359
  266    H    ASN  43           HN       ASN  43   4.240   1.185  -1.868
  267    HA   ASN  43           HA       ASN  43   4.419   3.280   0.189
  268    HB2  ASN  43           HB2      ASN  43   4.853   3.244  -2.776
  269    HB3  ASN  43           HB1      ASN  43   4.341   4.744  -2.009
  270   HD21  ASN  43          HD21      ASN  43   6.577   2.147  -1.082
  271   HD22  ASN  43          HD22      ASN  43   7.932   3.183  -0.808
  272    H    TYR  44           HN       TYR  44   2.436   1.986  -2.398
  273    HA   TYR  44           HA       TYR  44   0.016   2.422  -1.203
  274    HB2  TYR  44           HB2      TYR  44   0.866   4.850  -1.871
  275    HB3  TYR  44           HB1      TYR  44   0.206   4.376  -3.439
  276    HD1  TYR  44           HD2      TYR  44  -1.984   2.604  -2.451
  277    HD2  TYR  44           HD1      TYR  44  -0.735   6.473  -1.225
  278    HE1  TYR  44           HE2      TYR  44  -4.219   3.048  -1.638
  279    HE2  TYR  44           HE1      TYR  44  -2.994   6.940  -0.396
  280    HH   TYR  44           HH       TYR  44  -5.036   5.260   0.457
  281    H    GLY  45           HN       GLY  45  -0.824   0.614  -2.010
  282    HA2  GLY  45           HA2      GLY  45  -1.734   0.435  -4.642
  283    HA3  GLY  45           HA1      GLY  45  -0.219  -0.446  -4.552
  284    H    GLU  46           HN       GLU  46  -2.663  -1.604  -5.200
  285    HA   GLU  46           HA       GLU  46  -4.210  -2.791  -3.308
  286    HB2  GLU  46           HB2      GLU  46  -3.152  -3.718  -5.938
  287    HB3  GLU  46           HB1      GLU  46  -4.034  -4.864  -4.938
  288    HG2  GLU  46           HG2      GLU  46  -5.445  -3.726  -6.611
  289    HG3  GLU  46           HG1      GLU  46  -5.984  -3.474  -4.951
  290    H    CYS  47           HN       CYS  47  -1.028  -3.930  -4.384
  291    HA   CYS  47           HA       CYS  47  -0.974  -6.225  -2.729
  292    HB2  CYS  47           HB2      CYS  47   1.062  -4.695  -4.292
  293    HB3  CYS  47           HB1      CYS  47   1.596  -5.939  -3.169
  294    H    CYS  48           HN       CYS  48  -0.383  -2.892  -2.079
  295    HA   CYS  48           HA       CYS  48   1.433  -3.102   0.039
  296    HB2  CYS  48           HB2      CYS  48   0.781  -0.973  -1.079
  297    HB3  CYS  48           HB1      CYS  48  -0.778  -1.060  -0.268
  298    H    ASP  49           HN       ASP  49   1.215  -4.243   1.826
  299    HA   ASP  49           HA       ASP  49  -1.380  -4.218   3.208
  300    HB2  ASP  49           HB2      ASP  49  -0.356  -6.443   1.958
  301    HB3  ASP  49           HB1      ASP  49   0.201  -6.657   3.614
  302    H    GLN  50           HN       GLN  50  -0.969  -2.941   4.904
  303    HA   GLN  50           HA       GLN  50  -0.135  -2.237   6.898
  304    HB2  GLN  50           HB2      GLN  50   0.673  -5.063   6.766
  305    HB3  GLN  50           HB1      GLN  50   1.653  -4.077   7.842
  306    HG2  GLN  50           HG2      GLN  50   0.084  -4.561   9.353
  307    HG3  GLN  50           HG1      GLN  50  -0.840  -3.291   8.550
  308   HE21  GLN  50          HE21      GLN  50  -2.449  -3.886   7.045
  309   HE22  GLN  50          HE22      GLN  50  -3.172  -5.455   7.085
  310    H    CYS  51           HN       CYS  51   2.733  -4.081   5.912
  311    HA   CYS  51           HA       CYS  51   4.114  -1.654   5.119
  312    HB2  CYS  51           HB2      CYS  51   5.010  -3.294   7.497
  313    HB3  CYS  51           HB1      CYS  51   5.980  -2.047   6.720
  314    H    ARG  52           HN       ARG  52   3.323  -4.274   3.949
  315    HA   ARG  52           HA       ARG  52   5.806  -4.810   2.611
  316    HB2  ARG  52           HB2      ARG  52   5.531  -6.255   4.861
  317    HB3  ARG  52           HB1      ARG  52   4.642  -7.288   3.751
  318    HG2  ARG  52           HG2      ARG  52   6.512  -8.063   2.848
  319    HG3  ARG  52           HG1      ARG  52   7.142  -6.435   2.593
  320    HD2  ARG  52           HD2      ARG  52   7.168  -7.355   5.383
  321    HD3  ARG  52           HD1      ARG  52   8.216  -8.262   4.293
  322    HE   ARG  52           HE       ARG  52   8.488  -5.411   4.051
  323   HH11  ARG  52          HH11      ARG  52   9.549  -8.248   5.784
  324   HH12  ARG  52          HH12      ARG  52  11.056  -7.544   6.266
  325   HH21  ARG  52          HH21      ARG  52  10.469  -4.483   4.684
  326   HH22  ARG  52          HH22      ARG  52  11.578  -5.406   5.642
  327    H    PHE  53           HN       PHE  53   5.529  -5.883   0.648
  328    HA   PHE  53           HA       PHE  53   3.039  -5.592  -0.597
  329    HB2  PHE  53           HB2      PHE  53   5.548  -7.066  -1.352
  330    HB3  PHE  53           HB1      PHE  53   4.110  -7.162  -2.363
  331    HD1  PHE  53           HD2      PHE  53   3.164  -4.303  -1.920
  332    HD2  PHE  53           HD1      PHE  53   6.977  -5.950  -2.850
  333    HE1  PHE  53           HE2      PHE  53   3.799  -2.198  -3.010
  334    HE2  PHE  53           HE1      PHE  53   7.621  -3.841  -3.944
  335    HZ   PHE  53           HZ       PHE  53   6.031  -1.962  -4.026
  336    H    LYS  54           HN       LYS  54   1.388  -6.962  -1.052
  337    HA   LYS  54           HA       LYS  54   0.831  -9.054   0.711
  338    HB2  LYS  54           HB2      LYS  54  -0.408  -7.872  -1.653
  339    HB3  LYS  54           HB1      LYS  54  -0.722  -9.596  -1.520
  340    HG2  LYS  54           HG2      LYS  54  -1.989  -9.366   0.348
  341    HG3  LYS  54           HG1      LYS  54  -1.091  -7.958   0.919
  342    HD2  LYS  54           HD2      LYS  54  -2.209  -6.973  -1.346
  343    HD3  LYS  54           HD1      LYS  54  -3.448  -8.120  -0.835
  344    HE2  LYS  54           HE2      LYS  54  -3.458  -7.070   1.396
  345    HE3  LYS  54           HE1      LYS  54  -2.275  -5.893   0.827
  346    HZ1  LYS  54           HZ1      LYS  54  -3.813  -4.874  -0.531
  347    HZ2  LYS  54           HZ2      LYS  54  -4.766  -5.289   0.803
  348    HZ3  LYS  54           HZ3      LYS  54  -4.827  -6.226  -0.604
  349    H    LYS  55           HN       LYS  55   2.365 -10.631   0.825
  350    HA   LYS  55           HA       LYS  55   4.041 -11.823  -0.776
  351    HB2  LYS  55           HB2      LYS  55   3.487 -12.675   1.464
  352    HB3  LYS  55           HB1      LYS  55   2.033 -13.423   0.817
  353    HG2  LYS  55           HG2      LYS  55   3.349 -15.239   0.702
  354    HG3  LYS  55           HG1      LYS  55   3.873 -14.506  -0.815
  355    HD2  LYS  55           HD2      LYS  55   5.725 -13.404   0.416
  356    HD3  LYS  55           HD1      LYS  55   5.229 -14.272   1.870
  357    HE2  LYS  55           HE2      LYS  55   5.426 -16.332   0.166
  358    HE3  LYS  55           HE1      LYS  55   6.616 -15.248  -0.553
  359    HZ1  LYS  55           HZ1      LYS  55   7.813 -15.170   1.488
  360    HZ2  LYS  55           HZ2      LYS  55   7.531 -16.799   1.132
  361    HZ3  LYS  55           HZ3      LYS  55   6.605 -16.020   2.313
  362    H    ALA  56           HN       ALA  56   4.192 -12.828  -2.674
  363    HA   ALA  56           HA       ALA  56   2.308 -12.839  -4.614
  364    HB1  ALA  56           HB1      ALA  56   4.699 -14.534  -4.153
  365    HB2  ALA  56           HB2      ALA  56   4.345 -13.402  -5.459
  366    HB3  ALA  56           HB3      ALA  56   3.585 -14.994  -5.442
  367    H    GLY  57           HN       GLY  57   0.493 -13.875  -5.064
  368    HA2  GLY  57           HA2      GLY  57  -0.702 -16.018  -5.194
  369    HA3  GLY  57           HA1      GLY  57  -0.054 -16.392  -3.602
  370    H    THR  58           HN       THR  58  -0.654 -13.272  -3.281
  371    HA   THR  58           HA       THR  58  -3.170 -13.708  -1.932
  372    HB   THR  58           HB       THR  58  -1.521 -11.192  -2.295
  373    HG1  THR  58           HG1      THR  58  -1.723 -12.916  -0.050
  374   HG21  THR  58          HG21      THR  58  -3.061 -10.044  -1.208
  375   HG22  THR  58          HG22      THR  58  -3.121 -11.250   0.078
  376   HG23  THR  58          HG23      THR  58  -4.140 -11.433  -1.351
  377    H    VAL  59           HN       VAL  59  -4.932 -13.833  -3.234
  378    HA   VAL  59           HA       VAL  59  -5.145 -12.539  -5.729
  379    HB   VAL  59           HB       VAL  59  -6.497 -14.519  -5.185
  380   HG11  VAL  59          HG11      VAL  59  -8.504 -13.020  -3.653
  381   HG12  VAL  59          HG12      VAL  59  -6.991 -13.335  -2.803
  382   HG13  VAL  59          HG13      VAL  59  -7.929 -14.677  -3.460
  383   HG21  VAL  59          HG21      VAL  59  -7.562 -12.049  -6.302
  384   HG22  VAL  59          HG22      VAL  59  -8.816 -13.148  -5.729
  385   HG23  VAL  59          HG23      VAL  59  -7.639 -13.699  -6.921
  386    H    CYS  60           HN       CYS  60  -5.416 -10.452  -6.128
  387    HA   CYS  60           HA       CYS  60  -6.750  -8.804  -4.081
  388    HB2  CYS  60           HB2      CYS  60  -5.214  -7.463  -6.230
  389    HB3  CYS  60           HB1      CYS  60  -5.346  -7.063  -4.523
  390    H    ARG  61           HN       ARG  61  -6.948  -9.959  -7.303
  391    HA   ARG  61           HA       ARG  61  -9.474  -8.586  -7.667
  392    HB2  ARG  61           HB2      ARG  61  -7.472  -8.353  -9.894
  393    HB3  ARG  61           HB1      ARG  61  -8.960  -7.450  -9.652
  394    HG2  ARG  61           HG2      ARG  61  -7.908  -6.350  -7.694
  395    HG3  ARG  61           HG1      ARG  61  -6.400  -7.172  -8.097
  396    HD2  ARG  61           HD2      ARG  61  -7.899  -5.273  -9.900
  397    HD3  ARG  61           HD1      ARG  61  -6.470  -4.867  -8.952
  398    HE   ARG  61           HE       ARG  61  -6.147  -7.082 -10.783
  399   HH11  ARG  61          HH11      ARG  61  -5.837  -3.636 -10.305
  400   HH12  ARG  61          HH12      ARG  61  -4.685  -3.438 -11.581
  401   HH21  ARG  61          HH21      ARG  61  -4.635  -6.819 -12.465
  402   HH22  ARG  61          HH22      ARG  61  -4.004  -5.243 -12.808
  403    H    ILE  62           HN       ILE  62 -10.206  -9.175 -10.091
  404    HA   ILE  62           HA       ILE  62  -9.425 -11.595 -11.232
  405    HB   ILE  62           HB       ILE  62 -10.190 -12.744  -9.279
  406   HG12  ILE  62          HG12      ILE  62 -12.012 -14.137 -10.180
  407   HG13  ILE  62          HG11      ILE  62 -12.331 -12.923 -11.414
  408   HG21  ILE  62          HG21      ILE  62 -12.010 -12.234  -8.043
  409   HG22  ILE  62          HG22      ILE  62 -12.981 -11.804  -9.454
  410   HG23  ILE  62          HG23      ILE  62 -11.799 -10.661  -8.814
  411   HD11  ILE  62          HD11      ILE  62 -10.153 -14.912 -11.222
  412   HD12  ILE  62          HD12      ILE  62  -9.774 -13.353 -11.954
  413   HD13  ILE  62          HD13      ILE  62 -11.064 -14.351 -12.624
  414    H    ALA  63           HN       ALA  63 -10.342 -11.771 -13.180
  415    HA   ALA  63           HA       ALA  63 -11.823  -9.694 -14.251
  416    HB1  ALA  63           HB1      ALA  63 -10.811 -12.229 -15.177
  417    HB2  ALA  63           HB2      ALA  63 -11.021 -10.710 -16.045
  418    HB3  ALA  63           HB3      ALA  63 -12.364 -11.842 -15.919
  419    H    ARG  64           HN       ARG  64 -13.403 -12.781 -14.782
  420    HA   ARG  64           HA       ARG  64 -15.651 -11.970 -13.099
  421    HB2  ARG  64           HB2      ARG  64 -15.809 -11.184 -15.607
  422    HB3  ARG  64           HB1      ARG  64 -16.268 -12.858 -15.885
  423    HG2  ARG  64           HG2      ARG  64 -18.263 -11.601 -15.630
  424    HG3  ARG  64           HG1      ARG  64 -18.059 -12.569 -14.168
  425    HD2  ARG  64           HD2      ARG  64 -18.490 -10.606 -13.142
  426    HD3  ARG  64           HD1      ARG  64 -16.771 -10.331 -13.422
  427    HE   ARG  64           HE       ARG  64 -17.974  -9.383 -15.674
  428   HH11  ARG  64          HH11      ARG  64 -18.341  -8.754 -12.261
  429   HH12  ARG  64          HH12      ARG  64 -18.832  -7.109 -12.489
  430   HH21  ARG  64          HH21      ARG  64 -18.620  -7.219 -15.976
  431   HH22  ARG  64          HH22      ARG  64 -18.991  -6.238 -14.598
  432    H    GLY  65           HN       GLY  65 -15.069 -13.782 -11.805
  433    HA2  GLY  65           HA2      GLY  65 -16.298 -15.957 -11.520
  434    HA3  GLY  65           HA1      GLY  65 -15.627 -16.382 -13.090
  435    H    ASP  66           HN       ASP  66 -13.669 -17.292 -13.198
  436    HA   ASP  66           HA       ASP  66 -11.546 -16.910 -11.469
  437    HB2  ASP  66           HB2      ASP  66 -11.620 -19.132 -10.229
  438    HB3  ASP  66           HB1      ASP  66 -12.740 -17.894  -9.668
  439    H    TRP  67           HN       TRP  67 -10.431 -17.009 -13.371
  440    HA   TRP  67           HA       TRP  67 -10.137 -19.687 -14.571
  441    HB2  TRP  67           HB2      TRP  67  -9.190 -17.750 -16.403
  442    HB3  TRP  67           HB1      TRP  67 -10.616 -18.767 -16.561
  443    HD1  TRP  67           HD1      TRP  67  -9.725 -15.332 -14.935
  444    HE1  TRP  67           HE1      TRP  67 -11.765 -13.807 -15.209
  445    HE3  TRP  67           HE3      TRP  67 -12.907 -18.623 -17.194
  446    HZ2  TRP  67           HZ2      TRP  67 -14.368 -13.960 -16.245
  447    HZ3  TRP  67           HZ3      TRP  67 -15.165 -17.851 -17.805
  448    HH2  TRP  67           HH2      TRP  67 -15.880 -15.561 -17.340
  449    H    ASN  68           HN       ASN  68  -8.425 -16.614 -14.648
  450    HA   ASN  68           HA       ASN  68  -5.897 -18.007 -14.121
  451    HB2  ASN  68           HB2      ASN  68  -6.058 -15.145 -15.000
  452    HB3  ASN  68           HB1      ASN  68  -4.796 -16.334 -15.310
  453   HD21  ASN  68          HD21      ASN  68  -8.141 -15.503 -16.092
  454   HD22  ASN  68          HD22      ASN  68  -8.129 -16.191 -17.676
  455    H    ASP  69           HN       ASP  69  -8.071 -15.535 -12.994
  456    HA   ASP  69           HA       ASP  69  -8.239 -14.390 -11.046
  457    HB2  ASP  69           HB2      ASP  69  -6.541 -16.720 -10.273
  458    HB3  ASP  69           HB1      ASP  69  -6.745 -15.403  -9.123
  459    H    ASP  70           HN       ASP  70  -7.293 -12.719  -9.893
  460    HA   ASP  70           HA       ASP  70  -4.726 -11.828 -10.960
  461    HB2  ASP  70           HB2      ASP  70  -6.791 -10.332 -10.935
  462    HB3  ASP  70           HB1      ASP  70  -6.608 -10.274  -9.186
  463    H    TYR  71           HN       TYR  71  -2.914 -12.087  -9.805
  464    HA   TYR  71           HA       TYR  71  -3.173 -12.242  -6.879
  465    HB2  TYR  71           HB2      TYR  71  -1.789 -14.130  -8.741
  466    HB3  TYR  71           HB1      TYR  71  -1.269 -13.969  -7.066
  467    HD1  TYR  71           HD1      TYR  71  -2.986 -14.326  -5.261
  468    HD2  TYR  71           HD2      TYR  71  -3.618 -15.478  -9.291
  469    HE1  TYR  71           HE1      TYR  71  -4.738 -15.864  -4.520
  470    HE2  TYR  71           HE2      TYR  71  -5.391 -17.016  -8.584
  471    HH   TYR  71           HH       TYR  71  -5.811 -18.029  -5.463
  472    H    CYS  72           HN       CYS  72  -1.568 -11.457  -5.650
  473    HA   CYS  72           HA       CYS  72   0.097  -9.445  -6.751
  474    HB2  CYS  72           HB2      CYS  72  -0.889  -9.482  -4.426
  475    HB3  CYS  72           HB1      CYS  72   0.317 -10.696  -4.013
  476    H    THR  73           HN       THR  73   2.498  -9.387  -6.412
  477    HA   THR  73           HA       THR  73   3.672 -12.062  -6.802
  478    HB   THR  73           HB       THR  73   5.127 -11.228  -8.464
  479    HG1  THR  73           HG1      THR  73   4.319  -8.671  -7.574
  480   HG21  THR  73          HG21      THR  73   3.729 -10.728 -10.174
  481   HG22  THR  73          HG22      THR  73   2.818  -9.545  -9.236
  482   HG23  THR  73          HG23      THR  73   2.537 -11.269  -8.992
  483    H    GLY  74           HN       GLY  74   3.428  -9.954  -4.491
  484    HA2  GLY  74           HA2      GLY  74   4.725  -9.197  -2.755
  485    HA3  GLY  74           HA1      GLY  74   5.596 -10.702  -2.995
  486    H    LYS  75           HN       LYS  75   5.540  -8.319  -5.528
  487    HA   LYS  75           HA       LYS  75   8.224  -7.410  -4.759
  488    HB2  LYS  75           HB2      LYS  75   7.458  -8.339  -7.530
  489    HB3  LYS  75           HB1      LYS  75   9.017  -7.677  -7.057
  490    HG2  LYS  75           HG2      LYS  75   9.730  -9.634  -6.269
  491    HG3  LYS  75           HG1      LYS  75   8.213  -9.948  -5.425
  492    HD2  LYS  75           HD2      LYS  75   7.992 -11.589  -6.951
  493    HD3  LYS  75           HD1      LYS  75   7.434 -10.280  -7.994
  494    HE2  LYS  75           HE2      LYS  75  10.183 -11.499  -7.861
  495    HE3  LYS  75           HE1      LYS  75   9.059 -11.512  -9.219
  496    HZ1  LYS  75           HZ1      LYS  75   9.316  -9.117  -9.409
  497    HZ2  LYS  75           HZ2      LYS  75  10.815  -9.889  -9.542
  498    HZ3  LYS  75           HZ3      LYS  75  10.394  -9.104  -8.105
  499    H    SER  76           HN       SER  76   5.170  -6.471  -5.427
  500    HA   SER  76           HA       SER  76   5.940  -3.762  -5.889
  501    HB2  SER  76           HB2      SER  76   4.261  -4.950  -8.089
  502    HB3  SER  76           HB1      SER  76   5.093  -3.396  -8.058
  503    HG   SER  76           HG       SER  76   6.104  -5.958  -8.538
  504    H    SER  77           HN       SER  77   3.940  -2.359  -6.238
  505    HA   SER  77           HA       SER  77   1.931  -3.209  -4.320
  506    HB2  SER  77           HB2      SER  77   1.629  -0.584  -5.634
  507    HB3  SER  77           HB1      SER  77   1.586  -1.003  -3.922
  508    HG   SER  77           HG       SER  77   3.738  -0.280  -5.529
  509    H    ASP  78           HN       ASP  78   2.244  -3.907  -7.418
  510    HA   ASP  78           HA       ASP  78  -0.565  -3.385  -8.107
  511    HB2  ASP  78           HB2      ASP  78   1.918  -3.683  -9.740
  512    HB3  ASP  78           HB1      ASP  78   0.378  -4.151 -10.454
  513    H    CYS  79           HN       CYS  79  -1.892  -5.022  -8.781
  514    HA   CYS  79           HA       CYS  79  -0.904  -7.772  -8.353
  515    HB2  CYS  79           HB2      CYS  79  -2.771  -6.567  -6.838
  516    HB3  CYS  79           HB1      CYS  79  -3.809  -7.180  -8.121
  517    HA   PRO  80           HA       PRO  80  -2.035  -7.758 -12.775
  518    HB2  PRO  80           HB2      PRO  80  -0.713 -10.053 -13.380
  519    HB3  PRO  80           HB1      PRO  80   0.087  -8.481 -13.263
  520    HG2  PRO  80           HG2      PRO  80  -0.065 -10.685 -11.241
  521    HG3  PRO  80           HG1      PRO  80   1.328  -9.693 -11.711
  522    HD2  PRO  80           HD2      PRO  80  -0.095  -9.208  -9.468
  523    HD3  PRO  80           HD1      PRO  80   0.654  -7.906 -10.414
  524    H    TRP  81           HN       TRP  81  -3.690  -8.729 -13.810
  525    HA   TRP  81           HA       TRP  81  -5.409 -10.504 -12.390
  526    HB2  TRP  81           HB2      TRP  81  -5.856 -10.385 -15.280
  527    HB3  TRP  81           HB1      TRP  81  -6.954 -10.019 -13.958
  528    HD1  TRP  81           HD1      TRP  81  -4.383  -8.353 -16.269
  529    HE1  TRP  81           HE1      TRP  81  -4.775  -5.808 -16.191
  530    HE3  TRP  81           HE3      TRP  81  -7.808  -8.206 -12.519
  531    HZ2  TRP  81           HZ2      TRP  81  -6.352  -3.984 -14.724
  532    HZ3  TRP  81           HZ3      TRP  81  -8.733  -6.024 -11.827
  533    HH2  TRP  81           HH2      TRP  81  -8.012  -3.953 -12.908
  534    H    ASN  82           HN       ASN  82  -2.679 -11.033 -14.257
  535    HA   ASN  82           HA       ASN  82  -1.641 -12.919 -15.013
  536    HB2  ASN  82           HB2      ASN  82  -3.879 -14.249 -13.472
  537    HB3  ASN  82           HB1      ASN  82  -2.623 -15.154 -14.309
  538   HD21  ASN  82          HD21      ASN  82  -3.496 -13.562 -11.475
  539   HD22  ASN  82          HD22      ASN  82  -1.964 -13.610 -10.679
  540    H    HIS  83           HN       HIS  83  -3.791 -11.473 -16.427
  541    HA   HIS  83           HA       HIS  83  -4.939 -13.561 -18.127
  542    HB2  HIS  83           HB2      HIS  83  -5.517 -10.591 -17.960
  543    HB3  HIS  83           HB1      HIS  83  -6.346 -11.725 -19.027
  544    HD1  HIS  83           HD1      HIS  83  -7.731 -10.046 -16.722
  545    HD2  HIS  83           HD2      HIS  83  -6.568 -14.025 -16.492
  546    HE1  HIS  83           HE1      HIS  83  -9.123 -11.051 -14.885
  547    HE2  HIS  83           HE2      HIS  83  -8.483 -13.485 -14.841
  Start of MODEL   24
    1    H1   SER   1           HT1      SER   1  -1.425  12.960  20.842
    2    H2   SER   1           HT2      SER   1  -3.015  12.815  21.471
    3    H3   SER   1           HT3      SER   1  -2.129  14.267  21.700
    4    HA   SER   1           HA       SER   1  -2.933  13.190  19.084
    5    HB2  SER   1           HB2      SER   1  -4.592  15.121  19.211
    6    HB3  SER   1           HB1      SER   1  -4.940  13.741  20.252
    7    HG   SER   1           HG       SER   1  -5.016  15.993  21.165
    8    HA   PRO   2           HA       PRO   2   0.346  16.386  18.565
    9    HB2  PRO   2           HB2      PRO   2   1.307  14.754  16.371
   10    HB3  PRO   2           HB1      PRO   2   2.120  15.160  17.882
   11    HG2  PRO   2           HG2      PRO   2   1.256  12.646  17.266
   12    HG3  PRO   2           HG1      PRO   2   1.418  13.250  18.925
   13    HD2  PRO   2           HD2      PRO   2  -1.039  12.993  17.230
   14    HD3  PRO   2           HD1      PRO   2  -0.821  12.650  18.961
   15    HA   PRO   3           HA       PRO   3  -1.368  18.350  15.002
   16    HB2  PRO   3           HB2      PRO   3   1.159  19.342  14.013
   17    HB3  PRO   3           HB1      PRO   3  -0.088  20.211  14.907
   18    HG2  PRO   3           HG2      PRO   3   2.381  19.622  15.926
   19    HG3  PRO   3           HG1      PRO   3   0.933  19.858  16.921
   20    HD2  PRO   3           HD2      PRO   3   2.240  17.310  16.045
   21    HD3  PRO   3           HD1      PRO   3   1.516  17.726  17.614
   22    H    VAL   4           HN       VAL   4  -2.049  17.638  13.086
   23    HA   VAL   4           HA       VAL   4  -0.987  15.493  11.762
   24    HB   VAL   4           HB       VAL   4  -3.318  16.323  11.643
   25   HG11  VAL   4          HG11      VAL   4  -2.496  18.741  11.277
   26   HG12  VAL   4          HG12      VAL   4  -3.969  18.203  10.470
   27   HG13  VAL   4          HG13      VAL   4  -2.456  18.297   9.572
   28   HG21  VAL   4          HG21      VAL   4  -3.611  15.923   9.209
   29   HG22  VAL   4          HG22      VAL   4  -2.696  14.690  10.063
   30   HG23  VAL   4          HG23      VAL   4  -1.859  15.880   9.064
   31    H    CYS   5           HN       CYS   5   1.199  15.806  11.417
   32    HA   CYS   5           HA       CYS   5   2.257  18.075  10.070
   33    HB2  CYS   5           HB2      CYS   5   3.912  15.710   9.710
   34    HB3  CYS   5           HB1      CYS   5   4.260  17.187  10.589
   35    H    GLY   6           HN       GLY   6   1.257  18.491   8.180
   36    HA2  GLY   6           HA2      GLY   6   1.428  18.289   5.808
   37    HA3  GLY   6           HA1      GLY   6   1.706  16.565   6.007
   38    H    ASN   7           HN       ASN   7  -0.781  17.666   8.017
   39    HA   ASN   7           HA       ASN   7  -3.033  17.375   8.050
   40    HB2  ASN   7           HB2      ASN   7  -2.480  18.287   5.279
   41    HB3  ASN   7           HB1      ASN   7  -4.040  17.504   5.528
   42   HD21  ASN   7          HD21      ASN   7  -3.164  20.337   4.999
   43   HD22  ASN   7          HD22      ASN   7  -3.969  21.266   6.214
   44    H    LYS   8           HN       LYS   8  -4.584  15.722   7.859
   45    HA   LYS   8           HA       LYS   8  -3.689  13.138   7.562
   46    HB2  LYS   8           HB2      LYS   8  -5.749  13.502   8.700
   47    HB3  LYS   8           HB1      LYS   8  -6.466  14.288   7.302
   48    HG2  LYS   8           HG2      LYS   8  -7.261  11.950   7.797
   49    HG3  LYS   8           HG1      LYS   8  -6.709  12.248   6.148
   50    HD2  LYS   8           HD2      LYS   8  -5.094  10.713   6.321
   51    HD3  LYS   8           HD1      LYS   8  -4.542  11.371   7.863
   52    HE2  LYS   8           HE2      LYS   8  -6.991   9.643   7.629
   53    HE3  LYS   8           HE1      LYS   8  -5.379   8.969   7.867
   54    HZ1  LYS   8           HZ1      LYS   8  -5.247   9.786   9.978
   55    HZ2  LYS   8           HZ2      LYS   8  -6.915   9.521   9.888
   56    HZ3  LYS   8           HZ3      LYS   8  -6.295  11.081   9.682
   57    H    ILE   9           HN       ILE   9  -2.676  12.407   5.799
   58    HA   ILE   9           HA       ILE   9  -2.932  13.309   3.212
   59    HB   ILE   9           HB       ILE   9  -2.142  11.174   2.353
   60   HG12  ILE   9          HG12      ILE   9  -3.443  10.072   4.570
   61   HG13  ILE   9          HG11      ILE   9  -2.484   9.221   3.364
   62   HG21  ILE   9          HG21      ILE   9  -0.575  12.775   3.290
   63   HG22  ILE   9          HG22      ILE   9  -0.024  11.117   3.526
   64   HG23  ILE   9          HG23      ILE   9  -0.738  12.008   4.867
   65   HD11  ILE   9          HD11      ILE   9  -1.254  10.458   5.792
   66   HD12  ILE   9          HD12      ILE   9  -0.580   9.240   4.715
   67   HD13  ILE   9          HD13      ILE   9  -1.912   8.825   5.793
   68    H    LEU  10           HN       LEU  10  -4.425  13.326   1.730
   69    HA   LEU  10           HA       LEU  10  -6.814  11.717   2.133
   70    HB2  LEU  10           HB2      LEU  10  -7.766  13.193   0.330
   71    HB3  LEU  10           HB1      LEU  10  -7.314  14.004   1.817
   72    HG   LEU  10           HG       LEU  10  -6.752  15.095  -0.468
   73   HD11  LEU  10          HD11      LEU  10  -4.306  15.206   1.094
   74   HD12  LEU  10          HD12      LEU  10  -5.763  15.364   2.075
   75   HD13  LEU  10          HD13      LEU  10  -5.481  16.469   0.730
   76   HD21  LEU  10          HD21      LEU  10  -5.643  13.113  -1.421
   77   HD22  LEU  10          HD22      LEU  10  -4.382  13.257  -0.198
   78   HD23  LEU  10          HD23      LEU  10  -4.599  14.534  -1.394
   79    H    GLU  11           HN       GLU  11  -4.060  11.048   0.871
   80    HA   GLU  11           HA       GLU  11  -4.869   8.967  -0.786
   81    HB2  GLU  11           HB2      GLU  11  -4.379   9.762  -3.005
   82    HB3  GLU  11           HB1      GLU  11  -5.571  10.836  -2.286
   83    HG2  GLU  11           HG2      GLU  11  -3.412  12.184  -1.587
   84    HG3  GLU  11           HG1      GLU  11  -2.732  11.338  -2.977
   85    H    GLN  12           HN       GLN  12  -2.834   9.627   1.238
   86    HA   GLN  12           HA       GLN  12  -0.600   8.394  -0.095
   87    HB2  GLN  12           HB2      GLN  12   0.823  10.412   1.077
   88    HB3  GLN  12           HB1      GLN  12   0.428  10.318  -0.628
   89    HG2  GLN  12           HG2      GLN  12  -1.787  11.544   0.469
   90    HG3  GLN  12           HG1      GLN  12  -0.439  12.213   1.385
   91   HE21  GLN  12          HE21      GLN  12  -2.169  13.548  -0.498
   92   HE22  GLN  12          HE22      GLN  12  -1.155  14.155  -1.758
   93    H    GLY  13           HN       GLY  13  -1.906   7.128   1.757
   94    HA2  GLY  13           HA2      GLY  13  -1.607   7.422   4.429
   95    HA3  GLY  13           HA1      GLY  13  -1.456   5.867   3.640
   96    H    GLU  14           HN       GLU  14   0.957   6.624   2.198
   97    HA   GLU  14           HA       GLU  14   2.978   7.240   4.172
   98    HB2  GLU  14           HB2      GLU  14   3.773   4.754   2.931
   99    HB3  GLU  14           HB1      GLU  14   3.724   5.171   4.634
  100    HG2  GLU  14           HG2      GLU  14   1.219   4.396   3.202
  101    HG3  GLU  14           HG1      GLU  14   2.349   3.167   3.764
  102    H    ASP  15           HN       ASP  15   1.800   7.891   1.443
  103    HA   ASP  15           HA       ASP  15   4.078   7.573  -0.303
  104    HB2  ASP  15           HB2      ASP  15   2.062   7.338  -1.466
  105    HB3  ASP  15           HB1      ASP  15   1.278   8.627  -0.562
  106    H    CYS  16           HN       CYS  16   2.571   9.948   1.760
  107    HA   CYS  16           HA       CYS  16   4.680  11.531   2.256
  108    HB2  CYS  16           HB2      CYS  16   5.141  12.005   0.005
  109    HB3  CYS  16           HB1      CYS  16   3.446  12.268  -0.375
  110    H    ASP  17           HN       ASP  17   4.189  13.631   3.151
  111    HA   ASP  17           HA       ASP  17   2.995  14.935   4.574
  112    HB2  ASP  17           HB2      ASP  17   1.183  14.648   2.196
  113    HB3  ASP  17           HB1      ASP  17   0.682  15.595   3.593
  114    H    CYS  18           HN       CYS  18   2.891  12.148   5.149
  115    HA   CYS  18           HA       CYS  18   0.661  10.801   5.606
  116    HB2  CYS  18           HB2      CYS  18   2.752  11.365   7.706
  117    HB3  CYS  18           HB1      CYS  18   1.528  10.119   7.855
  118    H    GLY  19           HN       GLY  19   1.444  13.787   7.321
  119    HA2  GLY  19           HA2      GLY  19   0.130  15.153   8.642
  120    HA3  GLY  19           HA1      GLY  19  -1.231  14.445   7.799
  121    H    SER  20           HN       SER  20  -1.759  12.123   8.580
  122    HA   SER  20           HA       SER  20  -2.649  12.283  11.160
  123    HB2  SER  20           HB2      SER  20  -3.160   9.962  11.053
  124    HB3  SER  20           HB1      SER  20  -3.373  10.622   9.433
  125    HG   SER  20           HG       SER  20  -1.548   8.776  10.366
  126    HA   PRO  21           HA       PRO  21   1.353  12.357  13.178
  127    HB2  PRO  21           HB2      PRO  21   0.041  12.314  15.689
  128    HB3  PRO  21           HB1      PRO  21   0.664  13.728  14.838
  129    HG2  PRO  21           HG2      PRO  21  -2.106  12.673  14.973
  130    HG3  PRO  21           HG1      PRO  21  -1.542  14.342  14.785
  131    HD2  PRO  21           HD2      PRO  21  -2.592  12.954  12.732
  132    HD3  PRO  21           HD1      PRO  21  -1.289  14.127  12.499
  133    H    ALA  22           HN       ALA  22  -1.272  10.095  13.619
  134    HA   ALA  22           HA       ALA  22  -0.147   8.295  15.405
  135    HB1  ALA  22           HB1      ALA  22  -2.140   8.121  13.229
  136    HB2  ALA  22           HB2      ALA  22  -2.256   7.624  14.918
  137    HB3  ALA  22           HB3      ALA  22  -1.417   6.600  13.753
  138    H    ASN  23           HN       ASN  23   0.737   9.068  12.166
  139    HA   ASN  23           HA       ASN  23   2.658   6.843  12.121
  140    HB2  ASN  23           HB2      ASN  23   1.623   8.376   9.730
  141    HB3  ASN  23           HB1      ASN  23   2.583   6.897   9.724
  142   HD21  ASN  23          HD21      ASN  23   0.544   6.584   8.260
  143   HD22  ASN  23          HD22      ASN  23  -0.761   5.752   9.028
  144    H    CYS  24           HN       CYS  24   2.266  10.286  12.086
  145    HA   CYS  24           HA       CYS  24   4.583  11.140  10.829
  146    HB2  CYS  24           HB2      CYS  24   2.684  12.557  11.826
  147    HB3  CYS  24           HB1      CYS  24   3.560  12.445  13.348
  148    H    GLN  25           HN       GLN  25   6.480  10.168  11.141
  149    HA   GLN  25           HA       GLN  25   8.466   9.665  12.137
  150    HB2  GLN  25           HB2      GLN  25   7.435  10.878  14.696
  151    HB3  GLN  25           HB1      GLN  25   9.105  10.700  14.175
  152    HG2  GLN  25           HG2      GLN  25   8.946  12.452  12.652
  153    HG3  GLN  25           HG1      GLN  25   7.183  12.402  12.635
  154   HE21  GLN  25          HE21      GLN  25   9.511  14.355  13.430
  155   HE22  GLN  25          HE22      GLN  25   8.895  15.085  14.870
  156    H    ASP  26           HN       ASP  26   6.260   7.858  12.097
  157    HA   ASP  26           HA       ASP  26   7.240   5.857  13.840
  158    HB2  ASP  26           HB2      ASP  26   5.588   7.536  15.187
  159    HB3  ASP  26           HB1      ASP  26   4.423   6.364  14.579
  160    H    ARG  27           HN       ARG  27   5.152   4.131  14.015
  161    HA   ARG  27           HA       ARG  27   4.060   2.538  12.829
  162    HB2  ARG  27           HB2      ARG  27   2.383   4.246  12.547
  163    HB3  ARG  27           HB1      ARG  27   3.267   4.957  11.205
  164    HG2  ARG  27           HG2      ARG  27   2.458   3.478   9.723
  165    HG3  ARG  27           HG1      ARG  27   2.566   2.128  10.854
  166    HD2  ARG  27           HD2      ARG  27   0.541   4.125  11.554
  167    HD3  ARG  27           HD1      ARG  27   0.248   3.310  10.018
  168    HE   ARG  27           HE       ARG  27   0.804   1.268  11.699
  169   HH11  ARG  27          HH11      ARG  27  -1.429   3.945  11.862
  170   HH12  ARG  27          HH12      ARG  27  -2.591   3.081  12.811
  171   HH21  ARG  27          HH21      ARG  27  -0.724   0.129  12.947
  172   HH22  ARG  27          HH22      ARG  27  -2.190   0.915  13.428
  173    H    CYS  28           HN       CYS  28   4.324   4.177   9.782
  174    HA   CYS  28           HA       CYS  28   6.800   2.942   9.027
  175    HB2  CYS  28           HB2      CYS  28   5.941   1.432   7.358
  176    HB3  CYS  28           HB1      CYS  28   5.194   1.037   8.901
  177    H    CYS  29           HN       CYS  29   5.526   5.577   9.079
  178    HA   CYS  29           HA       CYS  29   6.330   6.424   6.456
  179    HB2  CYS  29           HB2      CYS  29   4.350   7.025   5.513
  180    HB3  CYS  29           HB1      CYS  29   3.761   5.694   6.496
  181    H    ASN  30           HN       ASN  30   6.520   8.686   6.234
  182    HA   ASN  30           HA       ASN  30   6.753  10.045   8.836
  183    HB2  ASN  30           HB2      ASN  30   8.650   9.557   6.839
  184    HB3  ASN  30           HB1      ASN  30   8.266  11.271   6.732
  185   HD21  ASN  30          HD21      ASN  30  10.434   9.329   7.918
  186   HD22  ASN  30          HD22      ASN  30  10.851  10.124   9.396
  187    H    ALA  31           HN       ALA  31   5.345  11.529   9.186
  188    HA   ALA  31           HA       ALA  31   3.941  12.880   7.048
  189    HB1  ALA  31           HB1      ALA  31   3.530  12.422   9.867
  190    HB2  ALA  31           HB2      ALA  31   2.371  12.916   8.645
  191    HB3  ALA  31           HB3      ALA  31   3.331  14.126   9.482
  192    H    ALA  32           HN       ALA  32   6.881  13.149   8.546
  193    HA   ALA  32           HA       ALA  32   6.991  16.078   8.365
  194    HB1  ALA  32           HB1      ALA  32   7.722  15.152  10.469
  195    HB2  ALA  32           HB2      ALA  32   9.095  15.870   9.624
  196    HB3  ALA  32           HB3      ALA  32   8.888  14.117   9.642
  197    H    THR  33           HN       THR  33   8.581  13.155   7.115
  198    HA   THR  33           HA       THR  33  10.314  14.788   5.432
  199    HB   THR  33           HB       THR  33  11.071  12.440   4.636
  200    HG1  THR  33           HG1      THR  33   9.795  10.983   5.436
  201   HG21  THR  33          HG21      THR  33  12.272  13.984   6.276
  202   HG22  THR  33          HG22      THR  33  12.674  12.267   6.316
  203   HG23  THR  33          HG23      THR  33  11.596  12.950   7.535
  204    H    CYS  34           HN       CYS  34   7.228  13.706   5.231
  205    HA   CYS  34           HA       CYS  34   5.731  13.612   3.560
  206    HB2  CYS  34           HB2      CYS  34   6.440  15.581   2.588
  207    HB3  CYS  34           HB1      CYS  34   8.034  14.955   2.212
  208    H    LYS  35           HN       LYS  35   7.168  11.198   4.226
  209    HA   LYS  35           HA       LYS  35   6.325   9.647   2.032
  210    HB2  LYS  35           HB2      LYS  35   9.039  10.603   1.872
  211    HB3  LYS  35           HB1      LYS  35   8.985   8.847   1.930
  212    HG2  LYS  35           HG2      LYS  35   8.515   8.826  -0.226
  213    HG3  LYS  35           HG1      LYS  35   6.980   9.616   0.134
  214    HD2  LYS  35           HD2      LYS  35   7.746  11.258  -1.190
  215    HD3  LYS  35           HD1      LYS  35   8.720  11.717   0.208
  216    HE2  LYS  35           HE2      LYS  35  10.292   9.813  -0.882
  217    HE3  LYS  35           HE1      LYS  35   9.518  10.452  -2.331
  218    HZ1  LYS  35           HZ1      LYS  35  11.219  11.875  -0.379
  219    HZ2  LYS  35           HZ2      LYS  35  10.184  12.716  -1.419
  220    HZ3  LYS  35           HZ3      LYS  35  11.415  11.747  -2.055
  221    H    LEU  36           HN       LEU  36   6.745   7.391   2.224
  222    HA   LEU  36           HA       LEU  36   6.278   6.361   4.745
  223    HB2  LEU  36           HB2      LEU  36   6.947   4.162   3.785
  224    HB3  LEU  36           HB1      LEU  36   5.785   5.047   2.816
  225    HG   LEU  36           HG       LEU  36   8.628   5.441   2.099
  226   HD11  LEU  36          HD11      LEU  36   8.607   3.326   0.768
  227   HD12  LEU  36          HD12      LEU  36   7.194   2.824   1.696
  228   HD13  LEU  36          HD13      LEU  36   8.734   3.095   2.511
  229   HD21  LEU  36          HD21      LEU  36   5.965   5.394   0.811
  230   HD22  LEU  36          HD22      LEU  36   7.337   4.888  -0.175
  231   HD23  LEU  36          HD23      LEU  36   7.327   6.488   0.567
  232    H    THR  37           HN       THR  37   7.673   4.874   6.035
  233    HA   THR  37           HA       THR  37  10.404   5.958   6.187
  234    HB   THR  37           HB       THR  37  10.297   4.926   8.546
  235    HG1  THR  37           HG1      THR  37   8.297   3.769   7.993
  236   HG21  THR  37          HG21      THR  37   8.889   7.358   7.622
  237   HG22  THR  37          HG22      THR  37  10.263   7.183   8.714
  238   HG23  THR  37          HG23      THR  37   8.632   6.829   9.284
  239    HA   PRO  38           HA       PRO  38  12.672   2.298   5.296
  240    HB2  PRO  38           HB2      PRO  38  13.350   2.190   8.214
  241    HB3  PRO  38           HB1      PRO  38  14.409   2.000   6.810
  242    HG2  PRO  38           HG2      PRO  38  14.351   4.295   8.149
  243    HG3  PRO  38           HG1      PRO  38  14.466   4.282   6.379
  244    HD2  PRO  38           HD2      PRO  38  12.163   4.974   8.120
  245    HD3  PRO  38           HD1      PRO  38  12.571   5.565   6.498
  246    H    GLY  39           HN       GLY  39  12.218   0.158   5.159
  247    HA2  GLY  39           HA2      GLY  39  11.509  -1.944   6.012
  248    HA3  GLY  39           HA1      GLY  39  10.643  -1.102   7.290
  249    H    SER  40           HN       SER  40   9.476   0.815   5.367
  250    HA   SER  40           HA       SER  40   7.158  -0.739   4.679
  251    HB2  SER  40           HB2      SER  40   7.355   1.778   5.465
  252    HB3  SER  40           HB1      SER  40   7.527   2.077   3.736
  253    HG   SER  40           HG       SER  40   5.396   2.107   3.956
  254    H    GLN  41           HN       GLN  41   7.198  -2.009   2.942
  255    HA   GLN  41           HA       GLN  41   8.915  -1.549   0.712
  256    HB2  GLN  41           HB2      GLN  41   6.875  -3.576   1.466
  257    HB3  GLN  41           HB1      GLN  41   7.259  -3.419  -0.242
  258    HG2  GLN  41           HG2      GLN  41   9.570  -3.577   1.570
  259    HG3  GLN  41           HG1      GLN  41   8.574  -5.029   1.465
  260   HE21  GLN  41          HE21      GLN  41   9.323  -2.619  -1.007
  261   HE22  GLN  41          HE22      GLN  41  10.096  -3.716  -2.096
  262    H    CYS  42           HN       CYS  42   5.625  -0.727   1.473
  263    HA   CYS  42           HA       CYS  42   5.463   0.921  -0.889
  264    HB2  CYS  42           HB2      CYS  42   4.713  -1.253  -1.756
  265    HB3  CYS  42           HB1      CYS  42   3.486  -1.331  -0.496
  266    H    ASN  43           HN       ASN  43   4.049   2.595  -0.682
  267    HA   ASN  43           HA       ASN  43   3.101   3.154   1.966
  268    HB2  ASN  43           HB2      ASN  43   2.238   5.268   0.880
  269    HB3  ASN  43           HB1      ASN  43   3.972   5.001   0.726
  270   HD21  ASN  43          HD21      ASN  43   4.757   5.390  -1.201
  271   HD22  ASN  43          HD22      ASN  43   3.908   5.259  -2.700
  272    H    TYR  44           HN       TYR  44   1.678   2.291  -1.122
  273    HA   TYR  44           HA       TYR  44  -0.591   1.095   0.003
  274    HB2  TYR  44           HB2      TYR  44  -2.349   2.636  -0.451
  275    HB3  TYR  44           HB1      TYR  44  -1.131   3.530   0.450
  276    HD1  TYR  44           HD2      TYR  44  -2.217   2.828  -3.053
  277    HD2  TYR  44           HD1      TYR  44  -0.395   5.577  -0.361
  278    HE1  TYR  44           HE2      TYR  44  -2.154   4.517  -4.832
  279    HE2  TYR  44           HE1      TYR  44  -0.327   7.277  -2.133
  280    HH   TYR  44           HH       TYR  44  -2.018   7.457  -4.578
  281    H    GLY  45           HN       GLY  45  -2.203   0.466  -1.683
  282    HA2  GLY  45           HA2      GLY  45  -2.372   0.710  -4.273
  283    HA3  GLY  45           HA1      GLY  45  -0.772  -0.012  -4.199
  284    H    GLU  46           HN       GLU  46  -2.162  -1.511  -5.640
  285    HA   GLU  46           HA       GLU  46  -4.083  -3.226  -4.574
  286    HB2  GLU  46           HB2      GLU  46  -2.090  -3.514  -6.805
  287    HB3  GLU  46           HB1      GLU  46  -3.175  -4.831  -6.383
  288    HG2  GLU  46           HG2      GLU  46  -3.992  -3.441  -8.248
  289    HG3  GLU  46           HG1      GLU  46  -5.098  -3.497  -6.877
  290    H    CYS  47           HN       CYS  47  -0.565  -3.545  -4.689
  291    HA   CYS  47           HA       CYS  47  -0.744  -5.917  -2.957
  292    HB2  CYS  47           HB2      CYS  47   1.260  -4.952  -4.953
  293    HB3  CYS  47           HB1      CYS  47   1.797  -5.990  -3.641
  294    H    CYS  48           HN       CYS  48  -1.115  -3.305  -1.823
  295    HA   CYS  48           HA       CYS  48   1.303  -3.198  -0.150
  296    HB2  CYS  48           HB2      CYS  48  -0.304  -0.750  -0.849
  297    HB3  CYS  48           HB1      CYS  48   1.298  -0.832  -0.123
  298    H    ASP  49           HN       ASP  49   0.598  -4.171   1.637
  299    HA   ASP  49           HA       ASP  49  -1.574  -2.876   3.101
  300    HB2  ASP  49           HB2      ASP  49  -2.153  -5.150   1.794
  301    HB3  ASP  49           HB1      ASP  49  -1.490  -5.841   3.272
  302    H    GLN  50           HN       GLN  50  -1.080  -2.550   5.169
  303    HA   GLN  50           HA       GLN  50   0.010  -2.598   7.166
  304    HB2  GLN  50           HB2      GLN  50  -0.475  -5.187   6.661
  305    HB3  GLN  50           HB1      GLN  50   1.283  -5.230   6.649
  306    HG2  GLN  50           HG2      GLN  50   1.451  -4.687   8.873
  307    HG3  GLN  50           HG1      GLN  50  -0.124  -3.895   8.909
  308   HE21  GLN  50          HE21      GLN  50  -1.998  -5.174   9.031
  309   HE22  GLN  50          HE22      GLN  50  -1.941  -6.802   9.607
  310    H    CYS  51           HN       CYS  51   1.308  -1.605   4.738
  311    HA   CYS  51           HA       CYS  51   3.297  -0.672   4.154
  312    HB2  CYS  51           HB2      CYS  51   4.591  -1.628   6.680
  313    HB3  CYS  51           HB1      CYS  51   4.819  -0.112   5.816
  314    H    ARG  52           HN       ARG  52   2.679  -3.525   3.635
  315    HA   ARG  52           HA       ARG  52   5.346  -4.292   2.769
  316    HB2  ARG  52           HB2      ARG  52   3.691  -5.890   4.699
  317    HB3  ARG  52           HB1      ARG  52   4.805  -6.694   3.601
  318    HG2  ARG  52           HG2      ARG  52   5.506  -4.624   5.672
  319    HG3  ARG  52           HG1      ARG  52   5.860  -6.352   5.738
  320    HD2  ARG  52           HD2      ARG  52   7.006  -5.771   3.394
  321    HD3  ARG  52           HD1      ARG  52   7.160  -4.198   4.175
  322    HE   ARG  52           HE       ARG  52   8.681  -6.521   4.735
  323   HH11  ARG  52          HH11      ARG  52   7.208  -3.762   6.285
  324   HH12  ARG  52          HH12      ARG  52   8.335  -3.742   7.599
  325   HH21  ARG  52          HH21      ARG  52  10.164  -6.496   6.464
  326   HH22  ARG  52          HH22      ARG  52  10.013  -5.293   7.701
  327    H    PHE  53           HN       PHE  53   5.326  -5.911   1.083
  328    HA   PHE  53           HA       PHE  53   3.148  -5.602  -0.688
  329    HB2  PHE  53           HB2      PHE  53   5.558  -7.404  -0.721
  330    HB3  PHE  53           HB1      PHE  53   4.314  -7.513  -1.965
  331    HD1  PHE  53           HD2      PHE  53   3.762  -4.445  -1.908
  332    HD2  PHE  53           HD1      PHE  53   7.289  -6.791  -2.276
  333    HE1  PHE  53           HE2      PHE  53   4.820  -2.633  -3.154
  334    HE2  PHE  53           HE1      PHE  53   8.367  -4.969  -3.529
  335    HZ   PHE  53           HZ       PHE  53   7.133  -2.882  -3.973
  336    H    LYS  54           HN       LYS  54   1.404  -6.799  -1.102
  337    HA   LYS  54           HA       LYS  54   0.425  -8.582   0.831
  338    HB2  LYS  54           HB2      LYS  54  -0.391  -8.013  -2.012
  339    HB3  LYS  54           HB1      LYS  54  -1.237  -9.201  -1.030
  340    HG2  LYS  54           HG2      LYS  54  -0.851  -6.374  -0.108
  341    HG3  LYS  54           HG1      LYS  54  -2.205  -6.850  -1.135
  342    HD2  LYS  54           HD2      LYS  54  -2.343  -8.753   0.781
  343    HD3  LYS  54           HD1      LYS  54  -1.698  -7.401   1.715
  344    HE2  LYS  54           HE2      LYS  54  -3.572  -6.016   0.671
  345    HE3  LYS  54           HE1      LYS  54  -4.274  -7.557   0.177
  346    HZ1  LYS  54           HZ1      LYS  54  -4.849  -8.072   2.282
  347    HZ2  LYS  54           HZ2      LYS  54  -4.824  -6.393   2.488
  348    HZ3  LYS  54           HZ3      LYS  54  -3.497  -7.323   2.972
  349    H    LYS  55           HN       LYS  55   1.675 -10.330   1.281
  350    HA   LYS  55           HA       LYS  55   3.343 -11.872  -0.035
  351    HB2  LYS  55           HB2      LYS  55   2.498 -12.391   2.225
  352    HB3  LYS  55           HB1      LYS  55   1.029 -13.045   1.515
  353    HG2  LYS  55           HG2      LYS  55   2.186 -14.972   1.816
  354    HG3  LYS  55           HG1      LYS  55   2.759 -14.549   0.202
  355    HD2  LYS  55           HD2      LYS  55   4.564 -13.219   1.669
  356    HD3  LYS  55           HD1      LYS  55   4.184 -14.522   2.796
  357    HE2  LYS  55           HE2      LYS  55   5.249 -14.744  -0.009
  358    HE3  LYS  55           HE1      LYS  55   6.019 -15.263   1.490
  359    HZ1  LYS  55           HZ1      LYS  55   3.827 -16.526  -0.005
  360    HZ2  LYS  55           HZ2      LYS  55   3.924 -16.762   1.667
  361    HZ3  LYS  55           HZ3      LYS  55   5.210 -17.229   0.672
  362    H    ALA  56           HN       ALA  56   3.503 -13.023  -1.845
  363    HA   ALA  56           HA       ALA  56   1.769 -13.027  -3.908
  364    HB1  ALA  56           HB1      ALA  56   2.823 -15.357  -4.478
  365    HB2  ALA  56           HB2      ALA  56   3.867 -14.980  -3.105
  366    HB3  ALA  56           HB3      ALA  56   3.808 -13.893  -4.493
  367    H    GLY  57           HN       GLY  57  -0.151 -13.858  -4.368
  368    HA2  GLY  57           HA2      GLY  57  -1.564 -15.888  -4.393
  369    HA3  GLY  57           HA1      GLY  57  -1.096 -16.128  -2.714
  370    H    THR  58           HN       THR  58  -1.333 -12.960  -2.748
  371    HA   THR  58           HA       THR  58  -3.993 -12.951  -1.634
  372    HB   THR  58           HB       THR  58  -2.008 -10.706  -2.086
  373    HG1  THR  58           HG1      THR  58  -1.100 -11.696  -0.468
  374   HG21  THR  58          HG21      THR  58  -4.691 -10.429  -1.534
  375   HG22  THR  58          HG22      THR  58  -3.423  -9.235  -1.236
  376   HG23  THR  58          HG23      THR  58  -3.920 -10.336   0.051
  377    H    VAL  59           HN       VAL  59  -5.637 -13.044  -3.081
  378    HA   VAL  59           HA       VAL  59  -5.496 -12.071  -5.719
  379    HB   VAL  59           HB       VAL  59  -7.127 -13.787  -5.059
  380   HG11  VAL  59          HG11      VAL  59  -8.695 -13.543  -3.469
  381   HG12  VAL  59          HG12      VAL  59  -9.037 -11.872  -3.917
  382   HG13  VAL  59          HG13      VAL  59  -7.646 -12.245  -2.899
  383   HG21  VAL  59          HG21      VAL  59  -8.032 -13.088  -6.976
  384   HG22  VAL  59          HG22      VAL  59  -7.770 -11.391  -6.578
  385   HG23  VAL  59          HG23      VAL  59  -9.202 -12.226  -5.977
  386    H    CYS  60           HN       CYS  60  -5.450 -10.028  -6.386
  387    HA   CYS  60           HA       CYS  60  -6.699  -7.976  -4.687
  388    HB2  CYS  60           HB2      CYS  60  -4.765  -7.395  -6.910
  389    HB3  CYS  60           HB1      CYS  60  -5.190  -6.383  -5.536
  390    H    ARG  61           HN       ARG  61  -6.864  -9.530  -7.740
  391    HA   ARG  61           HA       ARG  61  -9.192  -7.955  -8.463
  392    HB2  ARG  61           HB2      ARG  61  -6.609  -7.882  -9.954
  393    HB3  ARG  61           HB1      ARG  61  -8.102  -7.848 -10.876
  394    HG2  ARG  61           HG2      ARG  61  -8.420  -5.703 -10.426
  395    HG3  ARG  61           HG1      ARG  61  -8.184  -5.961  -8.697
  396    HD2  ARG  61           HD2      ARG  61  -6.560  -4.378  -9.812
  397    HD3  ARG  61           HD1      ARG  61  -5.844  -5.688  -8.876
  398    HE   ARG  61           HE       ARG  61  -5.913  -6.701 -11.382
  399   HH11  ARG  61          HH11      ARG  61  -4.716  -3.694 -10.073
  400   HH12  ARG  61          HH12      ARG  61  -3.445  -3.548 -11.240
  401   HH21  ARG  61          HH21      ARG  61  -4.237  -6.513 -12.911
  402   HH22  ARG  61          HH22      ARG  61  -3.174  -5.147 -12.852
  403    H    ILE  62           HN       ILE  62  -9.847  -8.772 -10.827
  404    HA   ILE  62           HA       ILE  62  -9.282 -11.380 -11.631
  405    HB   ILE  62           HB       ILE  62 -10.311 -12.196  -9.629
  406   HG12  ILE  62          HG12      ILE  62 -12.216 -13.478 -10.524
  407   HG13  ILE  62          HG11      ILE  62 -12.297 -12.393 -11.907
  408   HG21  ILE  62          HG21      ILE  62 -11.657  -9.929  -9.466
  409   HG22  ILE  62          HG22      ILE  62 -12.202 -11.393  -8.647
  410   HG23  ILE  62          HG23      ILE  62 -12.928 -10.918 -10.186
  411   HD11  ILE  62          HD11      ILE  62 -11.164 -14.197 -12.761
  412   HD12  ILE  62          HD12      ILE  62 -10.284 -14.491 -11.261
  413   HD13  ILE  62          HD13      ILE  62  -9.840 -13.131 -12.292
  414    H    ALA  63           HN       ALA  63 -10.073 -11.651 -13.627
  415    HA   ALA  63           HA       ALA  63 -11.263  -9.527 -14.965
  416    HB1  ALA  63           HB1      ALA  63 -10.459 -10.712 -16.645
  417    HB2  ALA  63           HB2      ALA  63 -11.844 -11.790 -16.496
  418    HB3  ALA  63           HB3      ALA  63 -10.345 -12.155 -15.641
  419    H    ARG  64           HN       ARG  64 -13.041 -12.522 -15.385
  420    HA   ARG  64           HA       ARG  64 -15.343 -11.403 -13.978
  421    HB2  ARG  64           HB2      ARG  64 -15.180 -10.915 -16.606
  422    HB3  ARG  64           HB1      ARG  64 -15.907 -12.514 -16.675
  423    HG2  ARG  64           HG2      ARG  64 -17.670 -10.936 -16.725
  424    HG3  ARG  64           HG1      ARG  64 -17.683 -11.676 -15.123
  425    HD2  ARG  64           HD2      ARG  64 -17.889  -9.473 -14.545
  426    HD3  ARG  64           HD1      ARG  64 -16.133  -9.631 -14.534
  427    HE   ARG  64           HE       ARG  64 -17.111  -8.830 -17.088
  428   HH11  ARG  64          HH11      ARG  64 -16.356  -7.651 -13.891
  429   HH12  ARG  64          HH12      ARG  64 -16.053  -6.032 -14.424
  430   HH21  ARG  64          HH21      ARG  64 -16.712  -6.700 -17.790
  431   HH22  ARG  64          HH22      ARG  64 -16.256  -5.491 -16.637
  432    H    GLY  65           HN       GLY  65 -15.018 -13.136 -12.494
  433    HA2  GLY  65           HA2      GLY  65 -16.444 -15.177 -12.147
  434    HA3  GLY  65           HA1      GLY  65 -15.684 -15.787 -13.610
  435    H    ASP  66           HN       ASP  66 -13.818 -16.862 -13.465
  436    HA   ASP  66           HA       ASP  66 -11.823 -16.501 -11.575
  437    HB2  ASP  66           HB2      ASP  66 -12.183 -18.585 -10.183
  438    HB3  ASP  66           HB1      ASP  66 -13.284 -17.253  -9.847
  439    H    TRP  67           HN       TRP  67 -10.569 -16.822 -13.367
  440    HA   TRP  67           HA       TRP  67 -10.381 -19.600 -14.340
  441    HB2  TRP  67           HB2      TRP  67  -9.141 -17.911 -16.227
  442    HB3  TRP  67           HB1      TRP  67 -10.648 -18.797 -16.419
  443    HD1  TRP  67           HD1      TRP  67  -9.555 -15.343 -14.952
  444    HE1  TRP  67           HE1      TRP  67 -11.397 -13.657 -15.514
  445    HE3  TRP  67           HE3      TRP  67 -12.837 -18.475 -17.296
  446    HZ2  TRP  67           HZ2      TRP  67 -13.899 -13.637 -16.790
  447    HZ3  TRP  67           HZ3      TRP  67 -14.941 -17.537 -18.171
  448    HH2  TRP  67           HH2      TRP  67 -15.459 -15.163 -17.922
  449    H    ASN  68           HN       ASN  68  -8.438 -16.670 -14.486
  450    HA   ASN  68           HA       ASN  68  -6.085 -18.187 -13.607
  451    HB2  ASN  68           HB2      ASN  68  -5.930 -15.424 -14.764
  452    HB3  ASN  68           HB1      ASN  68  -4.749 -16.729 -14.838
  453   HD21  ASN  68          HD21      ASN  68  -7.939 -15.748 -16.007
  454   HD22  ASN  68          HD22      ASN  68  -7.840 -16.585 -17.515
  455    H    ASP  69           HN       ASP  69  -8.106 -15.414 -12.983
  456    HA   ASP  69           HA       ASP  69  -8.351 -14.046 -11.190
  457    HB2  ASP  69           HB2      ASP  69  -7.040 -16.447  -9.999
  458    HB3  ASP  69           HB1      ASP  69  -7.212 -14.999  -9.013
  459    H    ASP  70           HN       ASP  70  -7.343 -12.371 -10.094
  460    HA   ASP  70           HA       ASP  70  -4.605 -11.871 -10.943
  461    HB2  ASP  70           HB2      ASP  70  -6.460 -10.143 -11.189
  462    HB3  ASP  70           HB1      ASP  70  -6.424  -9.994  -9.438
  463    H    TYR  71           HN       TYR  71  -2.926 -12.208  -9.626
  464    HA   TYR  71           HA       TYR  71  -3.429 -12.129  -6.734
  465    HB2  TYR  71           HB2      TYR  71  -2.215 -14.330  -8.344
  466    HB3  TYR  71           HB1      TYR  71  -1.738 -14.094  -6.663
  467    HD1  TYR  71           HD1      TYR  71  -3.547 -14.039  -4.925
  468    HD2  TYR  71           HD2      TYR  71  -4.197 -15.451  -8.865
  469    HE1  TYR  71           HE1      TYR  71  -5.540 -15.222  -4.142
  470    HE2  TYR  71           HE2      TYR  71  -6.208 -16.638  -8.122
  471    HH   TYR  71           HH       TYR  71  -7.897 -16.350  -6.129
  472    H    CYS  72           HN       CYS  72  -1.827 -11.493  -5.424
  473    HA   CYS  72           HA       CYS  72   0.158  -9.785  -6.515
  474    HB2  CYS  72           HB2      CYS  72  -1.017  -9.659  -4.219
  475    HB3  CYS  72           HB1      CYS  72   0.187 -10.834  -3.698
  476    H    THR  73           HN       THR  73   2.491  -9.980  -5.970
  477    HA   THR  73           HA       THR  73   3.376 -12.786  -6.093
  478    HB   THR  73           HB       THR  73   4.938 -12.301  -7.753
  479    HG1  THR  73           HG1      THR  73   5.595 -10.190  -8.248
  480   HG21  THR  73          HG21      THR  73   3.751 -11.566  -9.544
  481   HG22  THR  73          HG22      THR  73   3.048 -10.208  -8.665
  482   HG23  THR  73          HG23      THR  73   2.427 -11.839  -8.411
  483    H    GLY  74           HN       GLY  74   3.234 -10.354  -4.041
  484    HA2  GLY  74           HA2      GLY  74   4.470  -9.621  -2.254
  485    HA3  GLY  74           HA1      GLY  74   5.176 -11.229  -2.288
  486    H    LYS  75           HN       LYS  75   5.567  -9.139  -5.031
  487    HA   LYS  75           HA       LYS  75   8.266  -8.409  -4.143
  488    HB2  LYS  75           HB2      LYS  75   7.645  -9.589  -6.854
  489    HB3  LYS  75           HB1      LYS  75   9.222  -9.060  -6.285
  490    HG2  LYS  75           HG2      LYS  75   9.608 -10.991  -5.250
  491    HG3  LYS  75           HG1      LYS  75   8.004 -11.016  -4.516
  492    HD2  LYS  75           HD2      LYS  75   7.688 -12.789  -5.869
  493    HD3  LYS  75           HD1      LYS  75   7.379 -11.553  -7.090
  494    HE2  LYS  75           HE2      LYS  75  10.078 -12.787  -6.559
  495    HE3  LYS  75           HE1      LYS  75   8.967 -13.331  -7.816
  496    HZ1  LYS  75           HZ1      LYS  75  10.503 -10.830  -7.653
  497    HZ2  LYS  75           HZ2      LYS  75   9.052 -10.853  -8.521
  498    HZ3  LYS  75           HZ3      LYS  75  10.314 -11.890  -8.959
  499    H    SER  76           HN       SER  76   5.469  -7.148  -4.907
  500    HA   SER  76           HA       SER  76   6.559  -4.684  -5.796
  501    HB2  SER  76           HB2      SER  76   5.166  -4.652  -7.962
  502    HB3  SER  76           HB1      SER  76   6.681  -5.553  -7.978
  503    HG   SER  76           HG       SER  76   4.039  -6.529  -7.858
  504    H    SER  77           HN       SER  77   4.793  -3.088  -6.349
  505    HA   SER  77           HA       SER  77   2.643  -3.403  -4.410
  506    HB2  SER  77           HB2      SER  77   2.233  -0.950  -5.014
  507    HB3  SER  77           HB1      SER  77   3.762  -1.322  -4.218
  508    HG   SER  77           HG       SER  77   3.609   0.028  -6.322
  509    H    ASP  78           HN       ASP  78   2.875  -4.511  -7.351
  510    HA   ASP  78           HA       ASP  78   0.161  -3.663  -8.135
  511    HB2  ASP  78           HB2      ASP  78   0.831  -4.216 -10.476
  512    HB3  ASP  78           HB1      ASP  78   1.746  -2.881  -9.781
  513    H    CYS  79           HN       CYS  79  -1.257  -5.220  -8.901
  514    HA   CYS  79           HA       CYS  79  -0.504  -8.014  -8.319
  515    HB2  CYS  79           HB2      CYS  79  -2.566  -6.427  -7.228
  516    HB3  CYS  79           HB1      CYS  79  -3.354  -7.585  -8.294
  517    HA   PRO  80           HA       PRO  80  -1.398  -8.209 -12.777
  518    HB2  PRO  80           HB2      PRO  80  -0.234 -10.611 -13.195
  519    HB3  PRO  80           HB1      PRO  80   0.702  -9.120 -13.034
  520    HG2  PRO  80           HG2      PRO  80   0.144 -11.235 -10.986
  521    HG3  PRO  80           HG1      PRO  80   1.673 -10.416 -11.358
  522    HD2  PRO  80           HD2      PRO  80   0.109  -9.701  -9.265
  523    HD3  PRO  80           HD1      PRO  80   1.101  -8.533 -10.158
  524    H    TRP  81           HN       TRP  81  -3.124  -9.037 -13.808
  525    HA   TRP  81           HA       TRP  81  -5.086 -10.533 -12.457
  526    HB2  TRP  81           HB2      TRP  81  -5.209 -10.745 -15.378
  527    HB3  TRP  81           HB1      TRP  81  -6.411 -10.153 -14.242
  528    HD1  TRP  81           HD1      TRP  81  -3.492  -8.950 -16.411
  529    HE1  TRP  81           HE1      TRP  81  -3.671  -6.393 -16.650
  530    HE3  TRP  81           HE3      TRP  81  -7.247  -8.119 -13.088
  531    HZ2  TRP  81           HZ2      TRP  81  -5.222  -4.300 -15.565
  532    HZ3  TRP  81           HZ3      TRP  81  -8.041  -5.811 -12.736
  533    HH2  TRP  81           HH2      TRP  81  -7.042  -3.937 -13.949
  534    H    ASN  82           HN       ASN  82  -2.299 -11.517 -14.113
  535    HA   ASN  82           HA       ASN  82  -1.368 -13.588 -14.415
  536    HB2  ASN  82           HB2      ASN  82  -3.178 -14.064 -12.382
  537    HB3  ASN  82           HB1      ASN  82  -3.681 -15.210 -13.621
  538   HD21  ASN  82          HD21      ASN  82  -1.144 -15.689 -14.752
  539   HD22  ASN  82          HD22      ASN  82  -0.208 -16.579 -13.605
  540    H    HIS  83           HN       HIS  83  -3.245 -12.115 -16.209
  541    HA   HIS  83           HA       HIS  83  -4.375 -14.271 -17.825
  542    HB2  HIS  83           HB2      HIS  83  -4.659 -11.261 -18.031
  543    HB3  HIS  83           HB1      HIS  83  -5.477 -12.428 -19.069
  544    HD1  HIS  83           HD1      HIS  83  -6.888 -10.366 -17.086
  545    HD2  HIS  83           HD2      HIS  83  -6.256 -14.412 -16.404
  546    HE1  HIS  83           HE1      HIS  83  -8.591 -11.033 -15.360
  547    HE2  HIS  83           HE2      HIS  83  -8.260 -13.508 -15.044
  Start of MODEL   25
    1    H1   SER   1           HT1      SER   1  -8.964  21.197  15.179
    2    H2   SER   1           HT2      SER   1  -9.163  21.756  13.568
    3    H3   SER   1           HT3      SER   1  -7.607  21.756  14.293
    4    HA   SER   1           HA       SER   1  -9.221  19.350  13.781
    5    HB2  SER   1           HB2      SER   1  -6.760  20.034  12.236
    6    HB3  SER   1           HB1      SER   1  -8.180  19.115  11.737
    7    HG   SER   1           HG       SER   1  -7.796  21.896  11.829
    8    HA   PRO   2           HA       PRO   2  -6.292  17.346  16.403
    9    HB2  PRO   2           HB2      PRO   2  -6.144  14.886  15.265
   10    HB3  PRO   2           HB1      PRO   2  -7.554  15.437  16.178
   11    HG2  PRO   2           HG2      PRO   2  -7.130  15.353  13.215
   12    HG3  PRO   2           HG1      PRO   2  -8.564  14.897  14.153
   13    HD2  PRO   2           HD2      PRO   2  -8.362  17.269  12.865
   14    HD3  PRO   2           HD1      PRO   2  -9.265  17.081  14.381
   15    HA   PRO   3           HA       PRO   3  -2.165  17.754  14.886
   16    HB2  PRO   3           HB2      PRO   3  -1.634  15.130  16.192
   17    HB3  PRO   3           HB1      PRO   3  -0.782  16.668  16.368
   18    HG2  PRO   3           HG2      PRO   3  -2.424  15.807  18.275
   19    HG3  PRO   3           HG1      PRO   3  -2.357  17.525  17.840
   20    HD2  PRO   3           HD2      PRO   3  -4.422  15.477  17.171
   21    HD3  PRO   3           HD1      PRO   3  -4.618  17.205  17.526
   22    H    VAL   4           HN       VAL   4  -1.397  17.353  12.937
   23    HA   VAL   4           HA       VAL   4  -1.263  14.713  11.887
   24    HB   VAL   4           HB       VAL   4  -3.531  15.742  11.338
   25   HG11  VAL   4          HG11      VAL   4  -3.647  17.316   9.507
   26   HG12  VAL   4          HG12      VAL   4  -1.890  17.410   9.456
   27   HG13  VAL   4          HG13      VAL   4  -2.760  18.003  10.867
   28   HG21  VAL   4          HG21      VAL   4  -1.868  14.960   8.969
   29   HG22  VAL   4          HG22      VAL   4  -3.607  14.763   9.189
   30   HG23  VAL   4          HG23      VAL   4  -2.487  13.827  10.170
   31    H    CYS   5           HN       CYS   5   0.974  14.979  12.001
   32    HA   CYS   5           HA       CYS   5   2.314  17.316  11.135
   33    HB2  CYS   5           HB2      CYS   5   4.122  15.117  10.876
   34    HB3  CYS   5           HB1      CYS   5   4.082  16.359  12.110
   35    H    GLY   6           HN       GLY   6   1.849  17.984   9.151
   36    HA2  GLY   6           HA2      GLY   6   2.641  18.046   6.890
   37    HA3  GLY   6           HA1      GLY   6   2.758  16.290   6.923
   38    H    ASN   7           HN       ASN   7  -0.035  17.647   8.358
   39    HA   ASN   7           HA       ASN   7  -2.235  17.617   7.839
   40    HB2  ASN   7           HB2      ASN   7  -0.975  18.245   5.199
   41    HB3  ASN   7           HB1      ASN   7  -2.687  17.823   5.224
   42   HD21  ASN   7          HD21      ASN   7  -4.145  19.260   5.995
   43   HD22  ASN   7          HD22      ASN   7  -3.745  20.858   6.516
   44    H    LYS   8           HN       LYS   8  -3.704  15.995   7.678
   45    HA   LYS   8           HA       LYS   8  -2.928  13.370   7.338
   46    HB2  LYS   8           HB2      LYS   8  -4.992  13.684   8.420
   47    HB3  LYS   8           HB1      LYS   8  -5.619  14.698   7.130
   48    HG2  LYS   8           HG2      LYS   8  -6.595  12.373   7.328
   49    HG3  LYS   8           HG1      LYS   8  -6.025  12.854   5.730
   50    HD2  LYS   8           HD2      LYS   8  -4.624  11.119   5.664
   51    HD3  LYS   8           HD1      LYS   8  -3.875  11.625   7.180
   52    HE2  LYS   8           HE2      LYS   8  -4.800   9.336   7.274
   53    HE3  LYS   8           HE1      LYS   8  -5.528  10.423   8.455
   54    HZ1  LYS   8           HZ1      LYS   8  -6.856  10.178   5.867
   55    HZ2  LYS   8           HZ2      LYS   8  -7.522  10.375   7.409
   56    HZ3  LYS   8           HZ3      LYS   8  -6.967   8.855   6.916
   57    H    ILE   9           HN       ILE   9  -1.914  12.633   5.591
   58    HA   ILE   9           HA       ILE   9  -2.061  13.616   3.016
   59    HB   ILE   9           HB       ILE   9  -1.538  11.247   2.202
   60   HG12  ILE   9          HG12      ILE   9  -0.548   9.894   4.191
   61   HG13  ILE   9          HG11      ILE   9  -1.687  10.815   5.168
   62   HG21  ILE   9          HG21      ILE   9   0.752  11.449   2.944
   63   HG22  ILE   9          HG22      ILE   9   0.257  12.532   4.244
   64   HG23  ILE   9          HG23      ILE   9   0.090  13.036   2.564
   65   HD11  ILE   9          HD11      ILE   9  -3.005   9.744   2.865
   66   HD12  ILE   9          HD12      ILE   9  -3.344   9.480   4.574
   67   HD13  ILE   9          HD13      ILE   9  -2.165   8.469   3.741
   68    H    LEU  10           HN       LEU  10  -3.567  13.830   1.599
   69    HA   LEU  10           HA       LEU  10  -6.091  12.496   1.949
   70    HB2  LEU  10           HB2      LEU  10  -6.754  13.963  -0.018
   71    HB3  LEU  10           HB1      LEU  10  -6.315  14.769   1.475
   72    HG   LEU  10           HG       LEU  10  -5.457  15.671  -0.820
   73   HD11  LEU  10          HD11      LEU  10  -4.666  15.970   1.805
   74   HD12  LEU  10          HD12      LEU  10  -4.205  16.994   0.446
   75   HD13  LEU  10          HD13      LEU  10  -3.159  15.664   0.941
   76   HD21  LEU  10          HD21      LEU  10  -4.472  13.493  -1.503
   77   HD22  LEU  10          HD22      LEU  10  -3.281  13.679  -0.217
   78   HD23  LEU  10          HD23      LEU  10  -3.338  14.842  -1.540
   79    H    GLU  11           HN       GLU  11  -3.472  11.318   0.748
   80    HA   GLU  11           HA       GLU  11  -4.521   9.230  -0.675
   81    HB2  GLU  11           HB2      GLU  11  -4.148   9.746  -3.012
   82    HB3  GLU  11           HB1      GLU  11  -5.254  10.931  -2.337
   83    HG2  GLU  11           HG2      GLU  11  -2.985  12.252  -1.943
   84    HG3  GLU  11           HG1      GLU  11  -2.479  11.257  -3.307
   85    H    GLN  12           HN       GLN  12  -2.450   9.467   1.118
   86    HA   GLN  12           HA       GLN  12  -0.374   8.094  -0.187
   87    HB2  GLN  12           HB2      GLN  12   1.350  10.039   0.423
   88    HB3  GLN  12           HB1      GLN  12   0.606   9.889  -1.161
   89    HG2  GLN  12           HG2      GLN  12  -1.183  11.435   0.300
   90    HG3  GLN  12           HG1      GLN  12   0.409  12.008   0.790
   91   HE21  GLN  12          HE21      GLN  12   0.347  13.944  -0.241
   92   HE22  GLN  12          HE22      GLN  12   0.311  14.117  -1.959
   93    H    GLY  13           HN       GLY  13  -1.177   6.941   1.824
   94    HA2  GLY  13           HA2      GLY  13  -0.211   7.942   4.362
   95    HA3  GLY  13           HA1      GLY  13  -0.971   6.383   4.077
   96    H    GLU  14           HN       GLU  14   1.886   7.815   2.579
   97    HA   GLU  14           HA       GLU  14   4.057   6.954   3.777
   98    HB2  GLU  14           HB2      GLU  14   2.598   4.552   2.855
   99    HB3  GLU  14           HB1      GLU  14   4.313   4.590   2.473
  100    HG2  GLU  14           HG2      GLU  14   4.952   4.422   4.641
  101    HG3  GLU  14           HG1      GLU  14   3.525   5.262   5.245
  102    H    ASP  15           HN       ASP  15   2.878   8.468   1.538
  103    HA   ASP  15           HA       ASP  15   4.675   7.717  -0.643
  104    HB2  ASP  15           HB2      ASP  15   2.056   8.346  -0.748
  105    HB3  ASP  15           HB1      ASP  15   2.747   9.955  -0.940
  106    H    CYS  16           HN       CYS  16   3.588  10.556   1.195
  107    HA   CYS  16           HA       CYS  16   6.034  11.576   1.877
  108    HB2  CYS  16           HB2      CYS  16   6.374  11.669  -0.609
  109    HB3  CYS  16           HB1      CYS  16   5.102  12.882  -0.677
  110    H    ASP  17           HN       ASP  17   4.624  11.998   3.635
  111    HA   ASP  17           HA       ASP  17   3.996  14.485   4.273
  112    HB2  ASP  17           HB2      ASP  17   1.997  13.575   2.315
  113    HB3  ASP  17           HB1      ASP  17   1.308  14.261   3.782
  114    H    CYS  18           HN       CYS  18   2.161  11.448   4.131
  115    HA   CYS  18           HA       CYS  18   1.150  10.179   5.716
  116    HB2  CYS  18           HB2      CYS  18   3.129  11.414   7.625
  117    HB3  CYS  18           HB1      CYS  18   2.285   9.888   7.829
  118    H    GLY  19           HN       GLY  19   2.020  13.126   7.539
  119    HA2  GLY  19           HA2      GLY  19   0.683  14.646   8.646
  120    HA3  GLY  19           HA1      GLY  19  -0.659  14.052   7.686
  121    H    SER  20           HN       SER  20  -1.408  11.782   8.361
  122    HA   SER  20           HA       SER  20  -2.418  11.983  10.920
  123    HB2  SER  20           HB2      SER  20  -3.364   9.868  10.629
  124    HB3  SER  20           HB1      SER  20  -3.253  10.545   9.007
  125    HG   SER  20           HG       SER  20  -2.503   8.385   9.070
  126    HA   PRO  21           HA       PRO  21   1.299  11.293  13.232
  127    HB2  PRO  21           HB2      PRO  21  -0.781  11.149  15.365
  128    HB3  PRO  21           HB1      PRO  21   0.734  12.061  15.332
  129    HG2  PRO  21           HG2      PRO  21  -1.581  13.289  14.911
  130    HG3  PRO  21           HG1      PRO  21  -0.144  13.724  13.965
  131    HD2  PRO  21           HD2      PRO  21  -2.520  12.098  13.161
  132    HD3  PRO  21           HD1      PRO  21  -1.555  13.223  12.189
  133    H    ALA  22           HN       ALA  22  -1.533   9.261  13.156
  134    HA   ALA  22           HA       ALA  22  -0.788   7.171  14.808
  135    HB1  ALA  22           HB1      ALA  22  -1.942   5.786  12.826
  136    HB2  ALA  22           HB2      ALA  22  -2.461   7.411  12.378
  137    HB3  ALA  22           HB3      ALA  22  -2.859   6.765  13.970
  138    H    ASN  23           HN       ASN  23   0.538   8.202  11.798
  139    HA   ASN  23           HA       ASN  23   2.335   5.877  11.741
  140    HB2  ASN  23           HB2      ASN  23   1.625   7.685   9.422
  141    HB3  ASN  23           HB1      ASN  23   2.525   6.169   9.362
  142   HD21  ASN  23          HD21      ASN  23  -0.618   7.584  10.024
  143   HD22  ASN  23          HD22      ASN  23  -1.538   6.168   9.661
  144    H    CYS  24           HN       CYS  24   2.080   9.319  11.925
  145    HA   CYS  24           HA       CYS  24   4.490  10.290  11.057
  146    HB2  CYS  24           HB2      CYS  24   2.536  11.555  12.042
  147    HB3  CYS  24           HB1      CYS  24   3.157  11.137  13.631
  148    H    GLN  25           HN       GLN  25   6.195   8.859  11.374
  149    HA   GLN  25           HA       GLN  25   7.912   7.809  12.445
  150    HB2  GLN  25           HB2      GLN  25   7.538  10.273  14.145
  151    HB3  GLN  25           HB1      GLN  25   8.873   9.153  14.378
  152    HG2  GLN  25           HG2      GLN  25   9.333   9.552  11.867
  153    HG3  GLN  25           HG1      GLN  25   8.322  10.981  12.082
  154   HE21  GLN  25          HE21      GLN  25   9.167  12.749  13.008
  155   HE22  GLN  25          HE22      GLN  25  10.771  12.859  13.639
  156    H    ASP  26           HN       ASP  26   6.311   6.085  12.988
  157    HA   ASP  26           HA       ASP  26   6.649   5.227  15.638
  158    HB2  ASP  26           HB2      ASP  26   4.745   7.114  15.649
  159    HB3  ASP  26           HB1      ASP  26   3.746   5.723  15.242
  160    H    ARG  27           HN       ARG  27   4.634   5.045  12.738
  161    HA   ARG  27           HA       ARG  27   4.378   2.151  13.156
  162    HB2  ARG  27           HB2      ARG  27   2.257   3.301  12.878
  163    HB3  ARG  27           HB1      ARG  27   2.806   4.006  11.365
  164    HG2  ARG  27           HG2      ARG  27   1.413   2.234  10.746
  165    HG3  ARG  27           HG1      ARG  27   3.053   1.623  10.519
  166    HD2  ARG  27           HD2      ARG  27   1.482   1.161  13.041
  167    HD3  ARG  27           HD1      ARG  27   1.403   0.068  11.661
  168    HE   ARG  27           HE       ARG  27   3.533   0.299  13.559
  169   HH11  ARG  27          HH11      ARG  27   2.759  -0.563  10.268
  170   HH12  ARG  27          HH12      ARG  27   4.126  -1.610  10.088
  171   HH21  ARG  27          HH21      ARG  27   5.332  -1.077  13.326
  172   HH22  ARG  27          HH22      ARG  27   5.587  -1.903  11.824
  173    H    CYS  28           HN       CYS  28   4.230   3.928  10.100
  174    HA   CYS  28           HA       CYS  28   6.770   2.896   9.210
  175    HB2  CYS  28           HB2      CYS  28   4.329   1.441   8.696
  176    HB3  CYS  28           HB1      CYS  28   5.038   1.991   7.183
  177    H    CYS  29           HN       CYS  29   5.280   5.475   9.482
  178    HA   CYS  29           HA       CYS  29   5.697   6.407   6.723
  179    HB2  CYS  29           HB2      CYS  29   3.211   6.023   7.505
  180    HB3  CYS  29           HB1      CYS  29   3.454   7.556   8.332
  181    H    ASN  30           HN       ASN  30   6.603   8.391   6.497
  182    HA   ASN  30           HA       ASN  30   7.474   9.715   8.971
  183    HB2  ASN  30           HB2      ASN  30   8.550   9.699   6.167
  184    HB3  ASN  30           HB1      ASN  30   9.020  10.922   7.325
  185   HD21  ASN  30          HD21      ASN  30   9.204   9.521   9.637
  186   HD22  ASN  30          HD22      ASN  30  10.453   8.334   9.517
  187    H    ALA  31           HN       ALA  31   5.818  10.988   9.496
  188    HA   ALA  31           HA       ALA  31   4.538  12.701   7.552
  189    HB1  ALA  31           HB1      ALA  31   3.942  11.792  10.204
  190    HB2  ALA  31           HB2      ALA  31   2.881  12.591   9.052
  191    HB3  ALA  31           HB3      ALA  31   3.861  13.547  10.154
  192    H    ALA  32           HN       ALA  32   7.206  12.727   9.645
  193    HA   ALA  32           HA       ALA  32   7.503  15.645   9.466
  194    HB1  ALA  32           HB1      ALA  32   8.909  13.606  11.188
  195    HB2  ALA  32           HB2      ALA  32   7.689  14.771  11.708
  196    HB3  ALA  32           HB3      ALA  32   9.273  15.333  11.172
  197    H    THR  33           HN       THR  33   8.332  12.899   7.828
  198    HA   THR  33           HA       THR  33  10.775  14.133   6.771
  199    HB   THR  33           HB       THR  33  10.811  11.277   6.433
  200    HG1  THR  33           HG1      THR  33  11.078  10.833   8.717
  201   HG21  THR  33          HG21      THR  33  12.602  12.663   8.327
  202   HG22  THR  33          HG22      THR  33  12.691  13.091   6.617
  203   HG23  THR  33          HG23      THR  33  12.959  11.423   7.127
  204    H    CYS  34           HN       CYS  34   7.711  13.554   6.043
  205    HA   CYS  34           HA       CYS  34   6.486  13.121   4.167
  206    HB2  CYS  34           HB2      CYS  34   7.806  15.323   3.794
  207    HB3  CYS  34           HB1      CYS  34   8.730  14.385   2.627
  208    H    LYS  35           HN       LYS  35   7.627  10.736   4.696
  209    HA   LYS  35           HA       LYS  35   7.663   9.513   2.176
  210    HB2  LYS  35           HB2      LYS  35  10.243  10.496   3.084
  211    HB3  LYS  35           HB1      LYS  35  10.260   8.771   2.740
  212    HG2  LYS  35           HG2      LYS  35   8.897  10.337   0.697
  213    HG3  LYS  35           HG1      LYS  35  10.595  10.774   0.905
  214    HD2  LYS  35           HD2      LYS  35  10.076   7.888   0.872
  215    HD3  LYS  35           HD1      LYS  35   9.685   8.716  -0.636
  216    HE2  LYS  35           HE2      LYS  35  11.843   9.111  -1.121
  217    HE3  LYS  35           HE1      LYS  35  12.244   9.509   0.549
  218    HZ1  LYS  35           HZ1      LYS  35  12.826   7.391   1.011
  219    HZ2  LYS  35           HZ2      LYS  35  13.122   7.330  -0.653
  220    HZ3  LYS  35           HZ3      LYS  35  11.677   6.711  -0.028
  221    H    LEU  36           HN       LEU  36   7.514   7.325   2.251
  222    HA   LEU  36           HA       LEU  36   6.786   6.081   4.638
  223    HB2  LEU  36           HB2      LEU  36   6.853   4.001   3.489
  224    HB3  LEU  36           HB1      LEU  36   6.333   5.208   2.334
  225    HG   LEU  36           HG       LEU  36   9.116   4.059   2.521
  226   HD11  LEU  36          HD11      LEU  36   7.193   2.583   1.682
  227   HD12  LEU  36          HD12      LEU  36   8.622   2.742   0.660
  228   HD13  LEU  36          HD13      LEU  36   7.161   3.657   0.284
  229   HD21  LEU  36          HD21      LEU  36   9.250   6.296   1.714
  230   HD22  LEU  36          HD22      LEU  36   7.875   6.052   0.637
  231   HD23  LEU  36          HD23      LEU  36   9.398   5.219   0.325
  232    H    THR  37           HN       THR  37   7.867   4.923   6.196
  233    HA   THR  37           HA       THR  37  10.625   5.536   6.546
  234    HB   THR  37           HB       THR  37  10.354   3.929   8.536
  235    HG1  THR  37           HG1      THR  37   8.602   2.789   8.368
  236   HG21  THR  37          HG21      THR  37  10.245   6.063   9.272
  237   HG22  THR  37          HG22      THR  37   8.572   5.585   9.568
  238   HG23  THR  37          HG23      THR  37   8.983   6.515   8.126
  239    HA   PRO  38           HA       PRO  38  13.016   2.287   4.834
  240    HB2  PRO  38           HB2      PRO  38  13.898   1.743   7.640
  241    HB3  PRO  38           HB1      PRO  38  14.871   1.948   6.178
  242    HG2  PRO  38           HG2      PRO  38  14.686   3.919   7.938
  243    HG3  PRO  38           HG1      PRO  38  14.644   4.264   6.199
  244    HD2  PRO  38           HD2      PRO  38  12.420   4.249   8.184
  245    HD3  PRO  38           HD1      PRO  38  12.657   5.281   6.759
  246    H    GLY  39           HN       GLY  39  12.920   0.103   4.472
  247    HA2  GLY  39           HA2      GLY  39  12.355  -2.127   4.850
  248    HA3  GLY  39           HA1      GLY  39  11.674  -1.666   6.402
  249    H    SER  40           HN       SER  40  10.293   0.510   4.509
  250    HA   SER  40           HA       SER  40   7.852  -1.023   4.267
  251    HB2  SER  40           HB2      SER  40   6.799   1.112   3.755
  252    HB3  SER  40           HB1      SER  40   7.849   1.299   5.160
  253    HG   SER  40           HG       SER  40   8.835   2.785   4.079
  254    H    GLN  41           HN       GLN  41   7.994  -2.411   2.559
  255    HA   GLN  41           HA       GLN  41   9.137  -1.680   0.048
  256    HB2  GLN  41           HB2      GLN  41   7.902  -4.057   1.233
  257    HB3  GLN  41           HB1      GLN  41   7.541  -3.870  -0.478
  258    HG2  GLN  41           HG2      GLN  41  10.144  -3.446  -0.614
  259    HG3  GLN  41           HG1      GLN  41  10.131  -4.387   0.876
  260   HE21  GLN  41          HE21      GLN  41   8.406  -6.306   0.576
  261   HE22  GLN  41          HE22      GLN  41   8.732  -7.289  -0.807
  262    H    CYS  42           HN       CYS  42   6.191  -0.933   1.479
  263    HA   CYS  42           HA       CYS  42   5.174   0.079  -1.038
  264    HB2  CYS  42           HB2      CYS  42   4.232  -2.154  -1.021
  265    HB3  CYS  42           HB1      CYS  42   3.636  -1.927   0.618
  266    H    ASN  43           HN       ASN  43   3.768   1.768  -0.826
  267    HA   ASN  43           HA       ASN  43   3.542   2.888   1.870
  268    HB2  ASN  43           HB2      ASN  43   2.948   5.000   0.615
  269    HB3  ASN  43           HB1      ASN  43   4.575   4.395   0.320
  270   HD21  ASN  43          HD21      ASN  43   5.193   4.219  -1.707
  271   HD22  ASN  43          HD22      ASN  43   4.151   4.172  -3.085
  272    H    TYR  44           HN       TYR  44   1.701   2.109  -1.006
  273    HA   TYR  44           HA       TYR  44  -0.614   1.352   0.403
  274    HB2  TYR  44           HB2      TYR  44  -2.151   3.102  -0.091
  275    HB3  TYR  44           HB1      TYR  44  -0.745   3.870   0.638
  276    HD1  TYR  44           HD1      TYR  44  -2.192   3.038  -2.697
  277    HD2  TYR  44           HD2      TYR  44   0.222   5.695  -0.413
  278    HE1  TYR  44           HE1      TYR  44  -2.019   4.533  -4.633
  279    HE2  TYR  44           HE2      TYR  44   0.405   7.202  -2.343
  280    HH   TYR  44           HH       TYR  44  -1.288   7.549  -4.576
  281    H    GLY  45           HN       GLY  45  -2.402   0.770  -1.110
  282    HA2  GLY  45           HA2      GLY  45  -2.883   0.732  -3.606
  283    HA3  GLY  45           HA1      GLY  45  -1.260   0.075  -3.736
  284    H    GLU  46           HN       GLU  46  -2.958  -1.455  -4.874
  285    HA   GLU  46           HA       GLU  46  -4.547  -3.217  -3.439
  286    HB2  GLU  46           HB2      GLU  46  -3.065  -3.402  -6.031
  287    HB3  GLU  46           HB1      GLU  46  -3.861  -4.832  -5.389
  288    HG2  GLU  46           HG2      GLU  46  -5.787  -4.144  -6.219
  289    HG3  GLU  46           HG1      GLU  46  -5.700  -2.686  -5.233
  290    H    CYS  47           HN       CYS  47  -1.093  -3.427  -4.178
  291    HA   CYS  47           HA       CYS  47  -0.873  -5.916  -2.676
  292    HB2  CYS  47           HB2      CYS  47   0.910  -4.394  -4.531
  293    HB3  CYS  47           HB1      CYS  47   1.623  -5.557  -3.419
  294    H    CYS  48           HN       CYS  48  -1.530  -3.593  -1.125
  295    HA   CYS  48           HA       CYS  48   0.990  -3.230   0.355
  296    HB2  CYS  48           HB2      CYS  48  -0.714  -1.286  -0.653
  297    HB3  CYS  48           HB1      CYS  48  -1.098  -1.340   1.066
  298    H    ASP  49           HN       ASP  49   1.142  -4.241   2.200
  299    HA   ASP  49           HA       ASP  49  -1.182  -4.478   3.944
  300    HB2  ASP  49           HB2      ASP  49  -1.138  -6.560   2.602
  301    HB3  ASP  49           HB1      ASP  49   0.504  -6.867   3.159
  302    H    GLN  50           HN       GLN  50  -0.560  -3.665   5.820
  303    HA   GLN  50           HA       GLN  50   0.637  -3.261   7.713
  304    HB2  GLN  50           HB2      GLN  50   1.600  -5.812   6.822
  305    HB3  GLN  50           HB1      GLN  50   2.945  -4.887   7.474
  306    HG2  GLN  50           HG2      GLN  50   1.242  -4.430   9.427
  307    HG3  GLN  50           HG1      GLN  50   0.513  -5.919   8.828
  308   HE21  GLN  50          HE21      GLN  50   1.390  -6.022  11.306
  309   HE22  GLN  50          HE22      GLN  50   2.870  -6.904  11.434
  310    H    CYS  51           HN       CYS  51   3.395  -4.167   5.669
  311    HA   CYS  51           HA       CYS  51   4.054  -1.465   5.005
  312    HB2  CYS  51           HB2      CYS  51   4.711  -1.833   7.503
  313    HB3  CYS  51           HB1      CYS  51   6.051  -2.757   6.835
  314    H    ARG  52           HN       ARG  52   3.733  -4.063   3.712
  315    HA   ARG  52           HA       ARG  52   6.114  -3.981   2.093
  316    HB2  ARG  52           HB2      ARG  52   5.479  -6.376   3.806
  317    HB3  ARG  52           HB1      ARG  52   6.438  -6.510   2.338
  318    HG2  ARG  52           HG2      ARG  52   8.001  -4.814   3.305
  319    HG3  ARG  52           HG1      ARG  52   7.095  -4.937   4.815
  320    HD2  ARG  52           HD2      ARG  52   8.738  -6.470   5.222
  321    HD3  ARG  52           HD1      ARG  52   7.535  -7.513   4.466
  322    HE   ARG  52           HE       ARG  52   9.298  -6.422   2.529
  323   HH11  ARG  52          HH11      ARG  52   9.102  -8.856   5.022
  324   HH12  ARG  52          HH12      ARG  52  10.286  -9.883   4.287
  325   HH21  ARG  52          HH21      ARG  52  10.856  -7.772   1.560
  326   HH22  ARG  52          HH22      ARG  52  11.282  -9.268   2.321
  327    H    PHE  53           HN       PHE  53   5.940  -5.558   0.230
  328    HA   PHE  53           HA       PHE  53   3.356  -5.314  -0.928
  329    HB2  PHE  53           HB2      PHE  53   5.911  -6.626  -1.813
  330    HB3  PHE  53           HB1      PHE  53   4.426  -6.846  -2.732
  331    HD1  PHE  53           HD1      PHE  53   3.342  -4.023  -2.210
  332    HD2  PHE  53           HD2      PHE  53   7.127  -5.475  -3.492
  333    HE1  PHE  53           HE1      PHE  53   3.745  -1.904  -3.371
  334    HE2  PHE  53           HE2      PHE  53   7.545  -3.349  -4.663
  335    HZ   PHE  53           HZ       PHE  53   5.853  -1.559  -4.604
  336    H    LYS  54           HN       LYS  54   1.755  -6.776  -1.223
  337    HA   LYS  54           HA       LYS  54   1.509  -8.912   0.580
  338    HB2  LYS  54           HB2      LYS  54   0.010  -8.141  -1.910
  339    HB3  LYS  54           HB1      LYS  54  -0.393  -9.607  -1.029
  340    HG2  LYS  54           HG2      LYS  54  -0.226  -7.058   0.486
  341    HG3  LYS  54           HG1      LYS  54  -1.623  -7.332  -0.557
  342    HD2  LYS  54           HD2      LYS  54  -1.278  -9.726   0.836
  343    HD3  LYS  54           HD1      LYS  54  -1.006  -8.458   2.033
  344    HE2  LYS  54           HE2      LYS  54  -3.348  -8.251   0.197
  345    HE3  LYS  54           HE1      LYS  54  -3.422  -9.369   1.559
  346    HZ1  LYS  54           HZ1      LYS  54  -2.877  -7.497   3.030
  347    HZ2  LYS  54           HZ2      LYS  54  -4.327  -7.251   2.193
  348    HZ3  LYS  54           HZ3      LYS  54  -2.922  -6.445   1.705
  349    H    LYS  55           HN       LYS  55   2.938 -10.545   0.543
  350    HA   LYS  55           HA       LYS  55   4.557 -11.576  -1.270
  351    HB2  LYS  55           HB2      LYS  55   4.254 -12.529   0.977
  352    HB3  LYS  55           HB1      LYS  55   2.762 -13.294   0.450
  353    HG2  LYS  55           HG2      LYS  55   4.228 -15.037   0.269
  354    HG3  LYS  55           HG1      LYS  55   4.308 -14.373  -1.364
  355    HD2  LYS  55           HD2      LYS  55   6.276 -12.980  -0.499
  356    HD3  LYS  55           HD1      LYS  55   6.282 -14.080   0.881
  357    HE2  LYS  55           HE2      LYS  55   6.693 -15.962  -0.530
  358    HE3  LYS  55           HE1      LYS  55   6.436 -14.998  -1.984
  359    HZ1  LYS  55           HZ1      LYS  55   8.709 -14.872  -0.092
  360    HZ2  LYS  55           HZ2      LYS  55   8.399 -13.640  -1.208
  361    HZ3  LYS  55           HZ3      LYS  55   8.745 -15.204  -1.751
  362    H    ALA  56           HN       ALA  56   4.535 -12.455  -3.231
  363    HA   ALA  56           HA       ALA  56   2.472 -12.459  -4.967
  364    HB1  ALA  56           HB1      ALA  56   4.423 -12.948  -6.035
  365    HB2  ALA  56           HB2      ALA  56   3.694 -14.555  -6.006
  366    HB3  ALA  56           HB3      ALA  56   4.925 -14.122  -4.817
  367    H    GLY  57           HN       GLY  57   0.616 -13.488  -5.225
  368    HA2  GLY  57           HA2      GLY  57  -0.522 -15.682  -5.326
  369    HA3  GLY  57           HA1      GLY  57   0.274 -16.068  -3.806
  370    H    THR  58           HN       THR  58  -0.357 -12.980  -3.333
  371    HA   THR  58           HA       THR  58  -2.748 -13.515  -1.803
  372    HB   THR  58           HB       THR  58  -1.225 -10.926  -2.221
  373    HG1  THR  58           HG1      THR  58  -0.355 -11.437  -0.162
  374   HG21  THR  58          HG21      THR  58  -2.614 -11.200   0.287
  375   HG22  THR  58          HG22      THR  58  -3.726 -11.283  -1.080
  376   HG23  THR  58          HG23      THR  58  -2.656  -9.890  -0.895
  377    H    VAL  59           HN       VAL  59  -4.605 -13.654  -2.965
  378    HA   VAL  59           HA       VAL  59  -5.047 -12.316  -5.403
  379    HB   VAL  59           HB       VAL  59  -6.323 -14.326  -4.795
  380   HG11  VAL  59          HG11      VAL  59  -8.218 -12.896  -3.068
  381   HG12  VAL  59          HG12      VAL  59  -6.634 -13.200  -2.353
  382   HG13  VAL  59          HG13      VAL  59  -7.601 -14.544  -2.960
  383   HG21  VAL  59          HG21      VAL  59  -7.223 -12.209  -6.211
  384   HG22  VAL  59          HG22      VAL  59  -8.508 -12.369  -5.014
  385   HG23  VAL  59          HG23      VAL  59  -8.096 -13.734  -6.052
  386    H    CYS  60           HN       CYS  60  -5.399 -10.238  -5.752
  387    HA   CYS  60           HA       CYS  60  -6.575  -8.632  -3.575
  388    HB2  CYS  60           HB2      CYS  60  -5.274  -7.239  -5.842
  389    HB3  CYS  60           HB1      CYS  60  -5.243  -6.866  -4.124
  390    H    ARG  61           HN       ARG  61  -6.980  -9.714  -6.815
  391    HA   ARG  61           HA       ARG  61  -9.597  -8.480  -6.935
  392    HB2  ARG  61           HB2      ARG  61  -7.753  -8.037  -9.270
  393    HB3  ARG  61           HB1      ARG  61  -9.295  -7.265  -8.931
  394    HG2  ARG  61           HG2      ARG  61  -8.226  -6.149  -6.979
  395    HG3  ARG  61           HG1      ARG  61  -6.681  -6.811  -7.516
  396    HD2  ARG  61           HD2      ARG  61  -8.472  -4.967  -9.095
  397    HD3  ARG  61           HD1      ARG  61  -6.976  -4.513  -8.281
  398    HE   ARG  61           HE       ARG  61  -6.745  -6.618 -10.263
  399   HH11  ARG  61          HH11      ARG  61  -6.498  -3.198  -9.590
  400   HH12  ARG  61          HH12      ARG  61  -5.465  -2.883 -10.943
  401   HH21  ARG  61          HH21      ARG  61  -5.390  -6.199 -12.040
  402   HH22  ARG  61          HH22      ARG  61  -4.837  -4.584 -12.334
  403    H    ILE  62           HN       ILE  62 -10.465  -9.031  -9.329
  404    HA   ILE  62           HA       ILE  62  -9.609 -11.302 -10.654
  405    HB   ILE  62           HB       ILE  62 -10.098 -12.459  -8.530
  406   HG12  ILE  62          HG12      ILE  62 -10.262 -13.561 -10.780
  407   HG13  ILE  62          HG11      ILE  62 -11.187 -14.341  -9.504
  408   HG21  ILE  62          HG21      ILE  62 -11.923 -12.070  -7.350
  409   HG22  ILE  62          HG22      ILE  62 -12.939 -12.592  -8.695
  410   HG23  ILE  62          HG23      ILE  62 -12.440 -10.905  -8.570
  411   HD11  ILE  62          HD11      ILE  62 -12.063 -13.214 -12.009
  412   HD12  ILE  62          HD12      ILE  62 -12.977 -12.571 -10.644
  413   HD13  ILE  62          HD13      ILE  62 -12.895 -14.313 -10.909
  414    H    ALA  63           HN       ALA  63 -10.728 -11.561 -12.467
  415    HA   ALA  63           HA       ALA  63 -12.472  -9.579 -13.321
  416    HB1  ALA  63           HB1      ALA  63 -11.396 -12.035 -14.430
  417    HB2  ALA  63           HB2      ALA  63 -11.696 -10.478 -15.195
  418    HB3  ALA  63           HB3      ALA  63 -13.003 -11.649 -15.047
  419    H    ARG  64           HN       ARG  64 -13.939 -12.679 -13.968
  420    HA   ARG  64           HA       ARG  64 -15.993 -12.180 -11.943
  421    HB2  ARG  64           HB2      ARG  64 -16.362 -11.999 -14.886
  422    HB3  ARG  64           HB1      ARG  64 -17.641 -12.774 -13.960
  423    HG2  ARG  64           HG2      ARG  64 -18.384 -10.625 -13.934
  424    HG3  ARG  64           HG1      ARG  64 -17.402 -10.617 -12.468
  425    HD2  ARG  64           HD2      ARG  64 -15.839  -9.252 -13.362
  426    HD3  ARG  64           HD1      ARG  64 -15.984  -9.965 -14.968
  427    HE   ARG  64           HE       ARG  64 -18.306  -8.605 -14.679
  428   HH11  ARG  64          HH11      ARG  64 -14.951  -7.716 -14.314
  429   HH12  ARG  64          HH12      ARG  64 -15.208  -6.068 -14.776
  430   HH21  ARG  64          HH21      ARG  64 -18.646  -6.437 -15.288
  431   HH22  ARG  64          HH22      ARG  64 -17.306  -5.341 -15.329
  432    H    GLY  65           HN       GLY  65 -15.209 -14.093 -10.941
  433    HA2  GLY  65           HA2      GLY  65 -16.388 -16.338 -10.825
  434    HA3  GLY  65           HA1      GLY  65 -15.760 -16.567 -12.451
  435    H    ASP  66           HN       ASP  66 -13.798 -17.426 -12.702
  436    HA   ASP  66           HA       ASP  66 -11.626 -17.107 -10.993
  437    HB2  ASP  66           HB2      ASP  66 -13.392 -18.654  -9.687
  438    HB3  ASP  66           HB1      ASP  66 -12.554 -19.902 -10.604
  439    H    TRP  67           HN       TRP  67 -10.624 -16.902 -12.972
  440    HA   TRP  67           HA       TRP  67 -10.197 -19.416 -14.453
  441    HB2  TRP  67           HB2      TRP  67  -9.496 -17.246 -16.123
  442    HB3  TRP  67           HB1      TRP  67 -10.859 -18.342 -16.309
  443    HD1  TRP  67           HD1      TRP  67 -10.093 -15.028 -14.403
  444    HE1  TRP  67           HE1      TRP  67 -12.244 -13.634 -14.398
  445    HE3  TRP  67           HE3      TRP  67 -13.192 -18.306 -16.789
  446    HZ2  TRP  67           HZ2      TRP  67 -14.894 -13.874 -15.292
  447    HZ3  TRP  67           HZ3      TRP  67 -15.532 -17.644 -17.186
  448    HH2  TRP  67           HH2      TRP  67 -16.365 -15.468 -16.452
  449    H    ASN  68           HN       ASN  68  -8.711 -16.227 -14.293
  450    HA   ASN  68           HA       ASN  68  -6.076 -17.488 -13.991
  451    HB2  ASN  68           HB2      ASN  68  -6.441 -14.594 -14.684
  452    HB3  ASN  68           HB1      ASN  68  -5.128 -15.685 -15.117
  453   HD21  ASN  68          HD21      ASN  68  -8.538 -14.992 -15.717
  454   HD22  ASN  68          HD22      ASN  68  -8.557 -15.584 -17.340
  455    H    ASP  69           HN       ASP  69  -8.318 -15.180 -12.637
  456    HA   ASP  69           HA       ASP  69  -8.441 -14.144 -10.619
  457    HB2  ASP  69           HB2      ASP  69  -6.602 -16.431 -10.028
  458    HB3  ASP  69           HB1      ASP  69  -6.879 -15.200  -8.801
  459    H    ASP  70           HN       ASP  70  -7.521 -12.454  -9.491
  460    HA   ASP  70           HA       ASP  70  -5.038 -11.455 -10.629
  461    HB2  ASP  70           HB2      ASP  70  -7.187 -10.053 -10.345
  462    HB3  ASP  70           HB1      ASP  70  -6.762 -10.005  -8.638
  463    H    TYR  71           HN       TYR  71  -3.153 -11.716  -9.625
  464    HA   TYR  71           HA       TYR  71  -3.180 -11.977  -6.698
  465    HB2  TYR  71           HB2      TYR  71  -1.931 -13.789  -8.722
  466    HB3  TYR  71           HB1      TYR  71  -1.276 -13.669  -7.091
  467    HD1  TYR  71           HD1      TYR  71  -2.844 -14.073  -5.167
  468    HD2  TYR  71           HD2      TYR  71  -3.766 -15.160  -9.156
  469    HE1  TYR  71           HE1      TYR  71  -4.515 -15.648  -4.323
  470    HE2  TYR  71           HE2      TYR  71  -5.462 -16.734  -8.349
  471    HH   TYR  71           HH       TYR  71  -6.850 -16.708  -5.605
  472    H    CYS  72           HN       CYS  72  -1.508 -11.173  -5.581
  473    HA   CYS  72           HA       CYS  72   0.022  -9.104  -6.738
  474    HB2  CYS  72           HB2      CYS  72  -0.721  -9.370  -4.300
  475    HB3  CYS  72           HB1      CYS  72   0.648 -10.463  -4.123
  476    H    THR  73           HN       THR  73   2.430  -9.003  -6.641
  477    HA   THR  73           HA       THR  73   3.610 -11.613  -7.335
  478    HB   THR  73           HB       THR  73   4.947 -10.552  -9.012
  479    HG1  THR  73           HG1      THR  73   3.848  -8.107  -8.086
  480   HG21  THR  73          HG21      THR  73   2.244 -10.718  -9.263
  481   HG22  THR  73          HG22      THR  73   3.366 -10.313 -10.564
  482   HG23  THR  73          HG23      THR  73   2.548  -9.029  -9.673
  483    H    GLY  74           HN       GLY  74   3.586  -9.476  -4.931
  484    HA2  GLY  74           HA2      GLY  74   5.034  -8.896  -3.253
  485    HA3  GLY  74           HA1      GLY  74   5.893 -10.367  -3.679
  486    H    LYS  75           HN       LYS  75   5.590  -7.931  -6.112
  487    HA   LYS  75           HA       LYS  75   8.261  -6.896  -5.491
  488    HB2  LYS  75           HB2      LYS  75   9.113  -7.299  -7.660
  489    HB3  LYS  75           HB1      LYS  75   8.372  -8.807  -7.147
  490    HG2  LYS  75           HG2      LYS  75   6.371  -7.355  -8.485
  491    HG3  LYS  75           HG1      LYS  75   7.834  -7.222  -9.463
  492    HD2  LYS  75           HD2      LYS  75   6.980  -9.875  -8.369
  493    HD3  LYS  75           HD1      LYS  75   6.232  -9.232  -9.833
  494    HE2  LYS  75           HE2      LYS  75   9.210  -9.496  -9.478
  495    HE3  LYS  75           HE1      LYS  75   8.207 -10.762 -10.187
  496    HZ1  LYS  75           HZ1      LYS  75   7.911  -8.091 -11.306
  497    HZ2  LYS  75           HZ2      LYS  75   7.915  -9.595 -12.079
  498    HZ3  LYS  75           HZ3      LYS  75   9.376  -8.875 -11.623
  499    H    SER  76           HN       SER  76   5.185  -6.079  -5.888
  500    HA   SER  76           HA       SER  76   5.788  -3.367  -6.534
  501    HB2  SER  76           HB2      SER  76   3.903  -4.691  -8.474
  502    HB3  SER  76           HB1      SER  76   4.685  -3.115  -8.599
  503    HG   SER  76           HG       SER  76   6.561  -4.071  -9.147
  504    H    SER  77           HN       SER  77   3.787  -2.006  -6.550
  505    HA   SER  77           HA       SER  77   2.000  -2.940  -4.460
  506    HB2  SER  77           HB2      SER  77   1.479  -0.708  -4.073
  507    HB3  SER  77           HB1      SER  77   3.130  -0.582  -4.681
  508    HG   SER  77           HG       SER  77   0.968   0.558  -5.656
  509    H    ASP  78           HN       ASP  78   1.962  -3.592  -7.558
  510    HA   ASP  78           HA       ASP  78  -0.906  -3.049  -7.926
  511    HB2  ASP  78           HB2      ASP  78  -0.412  -3.488 -10.371
  512    HB3  ASP  78           HB1      ASP  78   0.308  -2.028  -9.700
  513    H    CYS  79           HN       CYS  79  -2.263  -4.684  -8.644
  514    HA   CYS  79           HA       CYS  79  -1.200  -7.426  -8.371
  515    HB2  CYS  79           HB2      CYS  79  -2.981  -6.292  -6.686
  516    HB3  CYS  79           HB1      CYS  79  -4.086  -6.944  -7.891
  517    HA   PRO  80           HA       PRO  80  -2.734  -7.359 -12.660
  518    HB2  PRO  80           HB2      PRO  80  -1.373  -9.542 -13.482
  519    HB3  PRO  80           HB1      PRO  80  -0.606  -7.959 -13.308
  520    HG2  PRO  80           HG2      PRO  80  -0.582 -10.290 -11.425
  521    HG3  PRO  80           HG1      PRO  80   0.762  -9.248 -11.929
  522    HD2  PRO  80           HD2      PRO  80  -0.536  -8.923  -9.571
  523    HD3  PRO  80           HD1      PRO  80   0.168  -7.566 -10.471
  524    H    TRP  81           HN       TRP  81  -4.551  -8.256 -13.403
  525    HA   TRP  81           HA       TRP  81  -6.049 -10.159 -11.967
  526    HB2  TRP  81           HB2      TRP  81  -6.691 -10.070 -14.818
  527    HB3  TRP  81           HB1      TRP  81  -7.703  -9.713 -13.429
  528    HD1  TRP  81           HD1      TRP  81  -5.358  -8.028 -15.941
  529    HE1  TRP  81           HE1      TRP  81  -5.774  -5.489 -15.857
  530    HE3  TRP  81           HE3      TRP  81  -8.473  -7.871 -11.917
  531    HZ2  TRP  81           HZ2      TRP  81  -7.242  -3.666 -14.286
  532    HZ3  TRP  81           HZ3      TRP  81  -9.354  -5.690 -11.178
  533    HH2  TRP  81           HH2      TRP  81  -8.745  -3.627 -12.340
  534    H    ASN  82           HN       ASN  82  -3.549 -10.526 -14.263
  535    HA   ASN  82           HA       ASN  82  -2.415 -12.406 -14.938
  536    HB2  ASN  82           HB2      ASN  82  -3.363 -13.425 -12.753
  537    HB3  ASN  82           HB1      ASN  82  -4.584 -14.155 -13.791
  538   HD21  ASN  82          HD21      ASN  82  -1.377 -14.297 -12.654
  539   HD22  ASN  82          HD22      ASN  82  -0.871 -15.682 -13.555
  540    H    HIS  83           HN       HIS  83  -4.565 -10.965 -16.305
  541    HA   HIS  83           HA       HIS  83  -5.719 -13.037 -18.026
  542    HB2  HIS  83           HB2      HIS  83  -6.349 -10.077 -17.880
  543    HB3  HIS  83           HB1      HIS  83  -7.230 -11.286 -18.815
  544    HD1  HIS  83           HD1      HIS  83  -8.572  -9.543 -16.595
  545    HD2  HIS  83           HD2      HIS  83  -7.113 -13.393 -16.058
  546    HE1  HIS  83           HE1      HIS  83  -9.781 -10.449 -14.585
  547    HE2  HIS  83           HE2      HIS  83  -8.828 -12.752 -14.234
  Start of MODEL   26
    1    H1   SER   1           HT1      SER   1  -4.375  18.031  17.844
    2    H2   SER   1           HT2      SER   1  -5.491  18.522  19.051
    3    H3   SER   1           HT3      SER   1  -4.978  16.887  18.969
    4    HA   SER   1           HA       SER   1  -3.720  19.191  20.122
    5    HB2  SER   1           HB2      SER   1  -2.788  16.494  20.792
    6    HB3  SER   1           HB1      SER   1  -3.475  17.739  21.835
    7    HG   SER   1           HG       SER   1  -5.343  16.791  21.698
    8    HA   PRO   2           HA       PRO   2   0.151  17.194  18.164
    9    HB2  PRO   2           HB2      PRO   2  -0.053  15.079  16.545
   10    HB3  PRO   2           HB1      PRO   2  -0.109  14.897  18.301
   11    HG2  PRO   2           HG2      PRO   2  -2.355  14.907  16.326
   12    HG3  PRO   2           HG1      PRO   2  -2.113  13.868  17.742
   13    HD2  PRO   2           HD2      PRO   2  -3.746  16.089  17.691
   14    HD3  PRO   2           HD1      PRO   2  -3.035  15.399  19.162
   15    HA   PRO   3           HA       PRO   3  -0.196  19.301  14.270
   16    HB2  PRO   3           HB2      PRO   3   2.369  19.416  13.566
   17    HB3  PRO   3           HB1      PRO   3   1.779  20.264  15.001
   18    HG2  PRO   3           HG2      PRO   3   3.264  17.677  14.804
   19    HG3  PRO   3           HG1      PRO   3   3.456  18.993  15.976
   20    HD2  PRO   3           HD2      PRO   3   2.028  16.661  16.427
   21    HD3  PRO   3           HD1      PRO   3   1.808  18.176  17.323
   22    H    VAL   4           HN       VAL   4  -0.816  18.714  12.352
   23    HA   VAL   4           HA       VAL   4  -0.287  16.124  11.316
   24    HB   VAL   4           HB       VAL   4  -1.511  18.116   9.528
   25   HG11  VAL   4          HG11      VAL   4  -2.062  15.320  10.429
   26   HG12  VAL   4          HG12      VAL   4  -1.723  15.926   8.810
   27   HG13  VAL   4          HG13      VAL   4  -3.289  16.237   9.557
   28   HG21  VAL   4          HG21      VAL   4  -3.714  17.822  10.902
   29   HG22  VAL   4          HG22      VAL   4  -2.573  19.101  11.319
   30   HG23  VAL   4          HG23      VAL   4  -2.606  17.608  12.257
   31    H    CYS   5           HN       CYS   5   1.939  16.088  10.948
   32    HA   CYS   5           HA       CYS   5   3.301  18.113   9.488
   33    HB2  CYS   5           HB2      CYS   5   4.581  15.512   9.219
   34    HB3  CYS   5           HB1      CYS   5   5.170  16.965  10.004
   35    H    GLY   6           HN       GLY   6   2.362  18.584   7.580
   36    HA2  GLY   6           HA2      GLY   6   2.465  18.264   5.222
   37    HA3  GLY   6           HA1      GLY   6   2.541  16.528   5.492
   38    H    ASN   7           HN       ASN   7   0.237  18.074   7.445
   39    HA   ASN   7           HA       ASN   7  -2.031  18.087   7.506
   40    HB2  ASN   7           HB2      ASN   7  -1.415  18.638   4.656
   41    HB3  ASN   7           HB1      ASN   7  -3.055  18.085   4.990
   42   HD21  ASN   7          HD21      ASN   7  -0.728  20.614   5.442
   43   HD22  ASN   7          HD22      ASN   7  -1.825  21.795   6.064
   44    H    LYS   8           HN       LYS   8  -3.619  16.592   7.714
   45    HA   LYS   8           HA       LYS   8  -3.140  13.921   7.622
   46    HB2  LYS   8           HB2      LYS   8  -5.092  14.828   8.738
   47    HB3  LYS   8           HB1      LYS   8  -5.786  15.324   7.201
   48    HG2  LYS   8           HG2      LYS   8  -6.936  13.377   7.829
   49    HG3  LYS   8           HG1      LYS   8  -5.807  12.876   6.569
   50    HD2  LYS   8           HD2      LYS   8  -4.609  11.586   7.980
   51    HD3  LYS   8           HD1      LYS   8  -4.770  12.724   9.319
   52    HE2  LYS   8           HE2      LYS   8  -7.043  11.001   8.364
   53    HE3  LYS   8           HE1      LYS   8  -5.902  10.471   9.600
   54    HZ1  LYS   8           HZ1      LYS   8  -7.435  12.995   9.828
   55    HZ2  LYS   8           HZ2      LYS   8  -6.591  12.176  11.043
   56    HZ3  LYS   8           HZ3      LYS   8  -8.019  11.521  10.418
   57    H    ILE   9           HN       ILE   9  -2.159  13.056   5.849
   58    HA   ILE   9           HA       ILE   9  -2.530  13.617   3.209
   59    HB   ILE   9           HB       ILE   9  -2.039  11.167   2.705
   60   HG12  ILE   9          HG12      ILE   9  -0.981  10.066   4.804
   61   HG13  ILE   9          HG11      ILE   9  -2.054  11.130   5.708
   62   HG21  ILE   9          HG21      ILE   9  -0.323  12.825   2.670
   63   HG22  ILE   9          HG22      ILE   9   0.305  11.423   3.538
   64   HG23  ILE   9          HG23      ILE   9  -0.242  12.838   4.428
   65   HD11  ILE   9          HD11      ILE   9  -3.550   9.820   3.670
   66   HD12  ILE   9          HD12      ILE   9  -3.727   9.719   5.421
   67   HD13  ILE   9          HD13      ILE   9  -2.630   8.624   4.581
   68    H    LEU  10           HN       LEU  10  -4.079  13.536   1.803
   69    HA   LEU  10           HA       LEU  10  -6.593  12.329   2.555
   70    HB2  LEU  10           HB2      LEU  10  -7.432  13.525   0.503
   71    HB3  LEU  10           HB1      LEU  10  -6.794  14.540   1.783
   72    HG   LEU  10           HG       LEU  10  -6.208  15.027  -0.716
   73   HD11  LEU  10          HD11      LEU  10  -5.115  16.545   0.481
   74   HD12  LEU  10          HD12      LEU  10  -3.719  15.473   0.369
   75   HD13  LEU  10          HD13      LEU  10  -4.776  15.401   1.780
   76   HD21  LEU  10          HD21      LEU  10  -5.356  12.844  -1.301
   77   HD22  LEU  10          HD22      LEU  10  -4.149  12.938  -0.020
   78   HD23  LEU  10          HD23      LEU  10  -4.061  14.037  -1.396
   79    H    GLU  11           HN       GLU  11  -4.065  10.964   1.348
   80    HA   GLU  11           HA       GLU  11  -5.282   8.734   0.275
   81    HB2  GLU  11           HB2      GLU  11  -4.928   8.938  -2.129
   82    HB3  GLU  11           HB1      GLU  11  -6.021  10.191  -1.564
   83    HG2  GLU  11           HG2      GLU  11  -4.733  11.602  -2.699
   84    HG3  GLU  11           HG1      GLU  11  -3.575  11.410  -1.382
   85    H    GLN  12           HN       GLN  12  -2.971   9.465   1.876
   86    HA   GLN  12           HA       GLN  12  -0.882   8.168   0.262
   87    HB2  GLN  12           HB2      GLN  12  -0.272  10.052   2.514
   88    HB3  GLN  12           HB1      GLN  12   0.803   9.475   1.262
   89    HG2  GLN  12           HG2      GLN  12  -1.487  11.392   0.901
   90    HG3  GLN  12           HG1      GLN  12   0.229  11.799   0.920
   91   HE21  GLN  12          HE21      GLN  12  -0.134  12.747  -1.154
   92   HE22  GLN  12          HE22      GLN  12  -0.176  11.756  -2.569
   93    H    GLY  13           HN       GLY  13  -0.521   8.926   3.671
   94    HA2  GLY  13           HA2      GLY  13  -0.405   7.581   5.539
   95    HA3  GLY  13           HA1      GLY  13  -1.285   6.349   4.641
   96    H    GLU  14           HN       GLU  14   1.529   7.695   3.238
   97    HA   GLU  14           HA       GLU  14   3.722   6.383   4.130
   98    HB2  GLU  14           HB2      GLU  14   3.854   4.262   2.973
   99    HB3  GLU  14           HB1      GLU  14   2.376   4.266   3.909
  100    HG2  GLU  14           HG2      GLU  14   1.310   3.672   2.062
  101    HG3  GLU  14           HG1      GLU  14   1.632   5.285   1.439
  102    H    ASP  15           HN       ASP  15   1.735   7.244   1.435
  103    HA   ASP  15           HA       ASP  15   3.580   7.282  -0.638
  104    HB2  ASP  15           HB2      ASP  15   0.968   7.785  -0.467
  105    HB3  ASP  15           HB1      ASP  15   1.548   9.448  -0.464
  106    H    CYS  16           HN       CYS  16   2.535  10.064   1.357
  107    HA   CYS  16           HA       CYS  16   4.984  11.077   2.018
  108    HB2  CYS  16           HB2      CYS  16   5.786  11.379  -0.125
  109    HB3  CYS  16           HB1      CYS  16   4.196  11.742  -0.784
  110    H    ASP  17           HN       ASP  17   4.740  12.759   3.343
  111    HA   ASP  17           HA       ASP  17   3.885  14.575   4.409
  112    HB2  ASP  17           HB2      ASP  17   2.852  14.851   1.792
  113    HB3  ASP  17           HB1      ASP  17   1.505  15.132   2.890
  114    H    CYS  18           HN       CYS  18   3.140  11.869   4.984
  115    HA   CYS  18           HA       CYS  18   0.691  11.019   5.403
  116    HB2  CYS  18           HB2      CYS  18   3.107  10.802   6.902
  117    HB3  CYS  18           HB1      CYS  18   1.766  10.951   8.038
  118    H    GLY  19           HN       GLY  19   1.964  13.838   7.122
  119    HA2  GLY  19           HA2      GLY  19   0.827  15.530   8.214
  120    HA3  GLY  19           HA1      GLY  19  -0.633  14.911   7.475
  121    H    SER  20           HN       SER  20  -1.428  12.784   8.487
  122    HA   SER  20           HA       SER  20  -2.190  13.296  11.066
  123    HB2  SER  20           HB2      SER  20  -3.169  11.198  11.117
  124    HB3  SER  20           HB1      SER  20  -3.071  11.546   9.393
  125    HG   SER  20           HG       SER  20  -2.264   9.522   9.606
  126    HA   PRO  21           HA       PRO  21   1.835  12.891  13.000
  127    HB2  PRO  21           HB2      PRO  21   0.667  13.317  15.533
  128    HB3  PRO  21           HB1      PRO  21   1.454  14.523  14.515
  129    HG2  PRO  21           HG2      PRO  21  -1.431  13.951  14.879
  130    HG3  PRO  21           HG1      PRO  21  -0.626  15.478  14.481
  131    HD2  PRO  21           HD2      PRO  21  -2.007  14.046  12.662
  132    HD3  PRO  21           HD1      PRO  21  -0.587  15.009  12.237
  133    H    ALA  22           HN       ALA  22  -1.124  11.188  13.750
  134    HA   ALA  22           HA       ALA  22  -0.245   9.393  15.675
  135    HB1  ALA  22           HB1      ALA  22  -2.131   8.822  13.388
  136    HB2  ALA  22           HB2      ALA  22  -2.578   9.554  14.929
  137    HB3  ALA  22           HB3      ALA  22  -1.993   7.891  14.880
  138    H    ASN  23           HN       ASN  23   0.546   9.648  12.326
  139    HA   ASN  23           HA       ASN  23   2.062   7.131  12.457
  140    HB2  ASN  23           HB2      ASN  23   1.160   8.546   9.944
  141    HB3  ASN  23           HB1      ASN  23   1.822   6.918  10.085
  142   HD21  ASN  23          HD21      ASN  23   0.290   5.521   9.627
  143   HD22  ASN  23          HD22      ASN  23  -1.336   5.565  10.210
  144    H    CYS  24           HN       CYS  24   2.227  10.554  12.032
  145    HA   CYS  24           HA       CYS  24   4.570  10.901  10.592
  146    HB2  CYS  24           HB2      CYS  24   2.967  12.684  11.450
  147    HB3  CYS  24           HB1      CYS  24   3.805  12.570  12.992
  148    H    GLN  25           HN       GLN  25   6.135   9.389  11.041
  149    HA   GLN  25           HA       GLN  25   8.023   8.586  12.027
  150    HB2  GLN  25           HB2      GLN  25   7.695  10.736  14.121
  151    HB3  GLN  25           HB1      GLN  25   9.172   9.892  13.674
  152    HG2  GLN  25           HG2      GLN  25   7.883  11.306  11.463
  153    HG3  GLN  25           HG1      GLN  25   8.431  12.348  12.775
  154   HE21  GLN  25          HE21      GLN  25   9.411  12.046  10.022
  155   HE22  GLN  25          HE22      GLN  25  11.090  11.665  10.162
  156    H    ASP  26           HN       ASP  26   5.636   7.345  12.589
  157    HA   ASP  26           HA       ASP  26   6.198   6.259  15.242
  158    HB2  ASP  26           HB2      ASP  26   3.555   7.396  14.355
  159    HB3  ASP  26           HB1      ASP  26   3.654   6.176  15.621
  160    H    ARG  27           HN       ARG  27   3.513   5.818  12.948
  161    HA   ARG  27           HA       ARG  27   3.500   3.032  13.148
  162    HB2  ARG  27           HB2      ARG  27   1.556   4.212  12.356
  163    HB3  ARG  27           HB1      ARG  27   2.441   4.841  10.975
  164    HG2  ARG  27           HG2      ARG  27   1.756   3.106   9.786
  165    HG3  ARG  27           HG1      ARG  27   2.667   2.039  10.856
  166    HD2  ARG  27           HD2      ARG  27  -0.092   3.009  11.542
  167    HD3  ARG  27           HD1      ARG  27   0.172   1.570  10.558
  168    HE   ARG  27           HE       ARG  27   1.706   1.126  12.746
  169   HH11  ARG  27          HH11      ARG  27  -1.650   1.974  12.302
  170   HH12  ARG  27          HH12      ARG  27  -2.174   1.165  13.740
  171   HH21  ARG  27          HH21      ARG  27   1.018   0.061  14.638
  172   HH22  ARG  27          HH22      ARG  27  -0.660   0.079  15.066
  173    H    CYS  28           HN       CYS  28   3.937   4.278   9.898
  174    HA   CYS  28           HA       CYS  28   6.629   3.288   9.669
  175    HB2  CYS  28           HB2      CYS  28   6.201   1.526   8.088
  176    HB3  CYS  28           HB1      CYS  28   5.236   1.214   9.526
  177    H    CYS  29           HN       CYS  29   5.022   5.744   9.190
  178    HA   CYS  29           HA       CYS  29   5.836   6.148   6.394
  179    HB2  CYS  29           HB2      CYS  29   3.884   7.345   5.857
  180    HB3  CYS  29           HB1      CYS  29   3.308   5.939   6.743
  181    H    ASN  30           HN       ASN  30   6.195   8.410   5.815
  182    HA   ASN  30           HA       ASN  30   7.270   9.925   8.105
  183    HB2  ASN  30           HB2      ASN  30   8.232   9.611   5.285
  184    HB3  ASN  30           HB1      ASN  30   8.683  11.005   6.236
  185   HD21  ASN  30          HD21      ASN  30   9.081   9.996   8.702
  186   HD22  ASN  30          HD22      ASN  30  10.366   8.841   8.688
  187    H    ALA  31           HN       ALA  31   5.688  11.246   8.608
  188    HA   ALA  31           HA       ALA  31   4.213  12.727   6.607
  189    HB1  ALA  31           HB1      ALA  31   3.975  12.222   9.467
  190    HB2  ALA  31           HB2      ALA  31   2.729  12.605   8.291
  191    HB3  ALA  31           HB3      ALA  31   3.650  13.899   9.046
  192    H    ALA  32           HN       ALA  32   7.024  13.006   8.543
  193    HA   ALA  32           HA       ALA  32   7.291  15.881   7.973
  194    HB1  ALA  32           HB1      ALA  32   8.210  14.111  10.125
  195    HB2  ALA  32           HB2      ALA  32   7.865  15.841  10.149
  196    HB3  ALA  32           HB3      ALA  32   9.419  15.259   9.550
  197    H    THR  33           HN       THR  33   8.125  12.935   6.702
  198    HA   THR  33           HA       THR  33  10.557  14.038   5.497
  199    HB   THR  33           HB       THR  33  10.468  11.138   5.453
  200    HG1  THR  33           HG1      THR  33   9.398  11.820   7.569
  201   HG21  THR  33          HG21      THR  33  12.409  12.906   6.871
  202   HG22  THR  33          HG22      THR  33  12.453  12.647   5.125
  203   HG23  THR  33          HG23      THR  33  12.667  11.286   6.227
  204    H    CYS  34           HN       CYS  34   7.438  13.130   4.862
  205    HA   CYS  34           HA       CYS  34   6.254  12.863   2.956
  206    HB2  CYS  34           HB2      CYS  34   7.254  14.845   2.190
  207    HB3  CYS  34           HB1      CYS  34   8.797  14.059   1.895
  208    H    LYS  35           HN       LYS  35   7.330  10.455   3.881
  209    HA   LYS  35           HA       LYS  35   7.016   8.846   1.610
  210    HB2  LYS  35           HB2      LYS  35   9.518   9.925   1.580
  211    HB3  LYS  35           HB1      LYS  35   9.796   8.381   2.374
  212    HG2  LYS  35           HG2      LYS  35  10.145   8.076   0.041
  213    HG3  LYS  35           HG1      LYS  35   8.637   7.268   0.474
  214    HD2  LYS  35           HD2      LYS  35   8.183   8.413  -1.534
  215    HD3  LYS  35           HD1      LYS  35   7.461   9.397  -0.260
  216    HE2  LYS  35           HE2      LYS  35   8.567  10.927  -1.652
  217    HE3  LYS  35           HE1      LYS  35   9.636  10.715  -0.266
  218    HZ1  LYS  35           HZ1      LYS  35  11.203   9.720  -1.516
  219    HZ2  LYS  35           HZ2      LYS  35  10.457  10.555  -2.784
  220    HZ3  LYS  35           HZ3      LYS  35  10.088   8.927  -2.512
  221    H    LEU  36           HN       LEU  36   6.779   6.713   2.054
  222    HA   LEU  36           HA       LEU  36   6.332   5.918   4.696
  223    HB2  LEU  36           HB2      LEU  36   5.945   3.743   3.858
  224    HB3  LEU  36           HB1      LEU  36   5.397   4.861   2.627
  225    HG   LEU  36           HG       LEU  36   7.942   3.250   2.581
  226   HD11  LEU  36          HD11      LEU  36   5.915   3.111   0.439
  227   HD12  LEU  36          HD12      LEU  36   5.463   2.401   1.991
  228   HD13  LEU  36          HD13      LEU  36   6.909   1.839   1.149
  229   HD21  LEU  36          HD21      LEU  36   8.235   4.224   0.318
  230   HD22  LEU  36          HD22      LEU  36   8.386   5.412   1.613
  231   HD23  LEU  36          HD23      LEU  36   6.905   5.333   0.657
  232    H    THR  37           HN       THR  37   7.696   5.436   6.269
  233    HA   THR  37           HA       THR  37  10.430   5.621   6.100
  234    HB   THR  37           HB       THR  37  10.411   4.278   8.285
  235    HG1  THR  37           HG1      THR  37   8.616   3.185   8.456
  236   HG21  THR  37          HG21      THR  37   8.881   6.124   9.367
  237   HG22  THR  37          HG22      THR  37   9.049   6.852   7.768
  238   HG23  THR  37          HG23      THR  37  10.484   6.494   8.731
  239    HA   PRO  38           HA       PRO  38  12.347   2.088   4.351
  240    HB2  PRO  38           HB2      PRO  38  13.848   1.993   6.938
  241    HB3  PRO  38           HB1      PRO  38  14.464   1.927   5.281
  242    HG2  PRO  38           HG2      PRO  38  14.664   4.166   6.674
  243    HG3  PRO  38           HG1      PRO  38  14.203   4.221   4.961
  244    HD2  PRO  38           HD2      PRO  38  12.509   4.566   7.393
  245    HD3  PRO  38           HD1      PRO  38  12.394   5.367   5.813
  246    H    GLY  39           HN       GLY  39  12.239  -0.130   4.406
  247    HA2  GLY  39           HA2      GLY  39  11.901  -2.246   5.390
  248    HA3  GLY  39           HA1      GLY  39  11.329  -1.451   6.849
  249    H    SER  40           HN       SER  40   9.493   0.299   5.381
  250    HA   SER  40           HA       SER  40   7.334  -1.630   5.078
  251    HB2  SER  40           HB2      SER  40   6.773   0.188   6.510
  252    HB3  SER  40           HB1      SER  40   7.391   1.376   5.362
  253    HG   SER  40           HG       SER  40   5.540   1.346   4.374
  254    H    GLN  41           HN       GLN  41   6.713  -2.328   3.149
  255    HA   GLN  41           HA       GLN  41   7.783  -1.232   0.739
  256    HB2  GLN  41           HB2      GLN  41   5.481  -3.171   0.904
  257    HB3  GLN  41           HB1      GLN  41   6.661  -2.991  -0.387
  258    HG2  GLN  41           HG2      GLN  41   7.133  -4.114   2.362
  259    HG3  GLN  41           HG1      GLN  41   7.139  -4.990   0.832
  260   HE21  GLN  41          HE21      GLN  41   9.118  -5.563   0.319
  261   HE22  GLN  41          HE22      GLN  41  10.541  -4.600   0.498
  262    H    CYS  42           HN       CYS  42   4.573  -1.277   2.232
  263    HA   CYS  42           HA       CYS  42   3.870   1.251   1.143
  264    HB2  CYS  42           HB2      CYS  42   2.139   0.616  -0.393
  265    HB3  CYS  42           HB1      CYS  42   3.609  -0.222  -0.875
  266    H    ASN  43           HN       ASN  43   1.709   1.923   1.788
  267    HA   ASN  43           HA       ASN  43   0.782   0.417   4.133
  268    HB2  ASN  43           HB2      ASN  43   1.596   2.743   4.558
  269    HB3  ASN  43           HB1      ASN  43   0.290   3.341   3.538
  270   HD21  ASN  43          HD21      ASN  43   1.206   2.396   6.637
  271   HD22  ASN  43          HD22      ASN  43  -0.354   2.432   7.380
  272    H    TYR  44           HN       TYR  44  -0.115   1.814   1.079
  273    HA   TYR  44           HA       TYR  44  -2.731   0.501   1.297
  274    HB2  TYR  44           HB2      TYR  44  -3.955   2.342   0.656
  275    HB3  TYR  44           HB1      TYR  44  -2.686   3.133   1.581
  276    HD1  TYR  44           HD1      TYR  44  -3.731   2.259  -1.877
  277    HD2  TYR  44           HD2      TYR  44  -1.299   4.745   0.573
  278    HE1  TYR  44           HE1      TYR  44  -3.179   3.638  -3.834
  279    HE2  TYR  44           HE2      TYR  44  -0.739   6.132  -1.378
  280    HH   TYR  44           HH       TYR  44  -0.674   5.673  -4.004
  281    H    GLY  45           HN       GLY  45  -3.544  -0.351  -0.641
  282    HA2  GLY  45           HA2      GLY  45  -3.022  -0.019  -3.205
  283    HA3  GLY  45           HA1      GLY  45  -1.501  -0.734  -2.696
  284    H    GLU  46           HN       GLU  46  -3.070  -1.929  -4.625
  285    HA   GLU  46           HA       GLU  46  -4.899  -3.844  -3.743
  286    HB2  GLU  46           HB2      GLU  46  -3.147  -3.532  -6.127
  287    HB3  GLU  46           HB1      GLU  46  -3.843  -5.121  -5.841
  288    HG2  GLU  46           HG2      GLU  46  -5.912  -4.465  -6.405
  289    HG3  GLU  46           HG1      GLU  46  -5.733  -2.885  -5.644
  290    H    CYS  47           HN       CYS  47  -1.393  -4.053  -4.151
  291    HA   CYS  47           HA       CYS  47  -1.383  -6.669  -2.826
  292    HB2  CYS  47           HB2      CYS  47  -0.136  -6.142  -5.043
  293    HB3  CYS  47           HB1      CYS  47   1.024  -5.311  -4.014
  294    H    CYS  48           HN       CYS  48  -1.963  -4.365  -1.278
  295    HA   CYS  48           HA       CYS  48   0.503  -3.965   0.259
  296    HB2  CYS  48           HB2      CYS  48  -1.207  -2.102  -0.714
  297    HB3  CYS  48           HB1      CYS  48  -1.885  -2.347   0.892
  298    H    ASP  49           HN       ASP  49   0.578  -4.339   2.448
  299    HA   ASP  49           HA       ASP  49  -1.714  -5.060   3.973
  300    HB2  ASP  49           HB2      ASP  49  -1.168  -7.390   4.410
  301    HB3  ASP  49           HB1      ASP  49  -1.424  -7.146   2.686
  302    H    GLN  50           HN       GLN  50  -1.225  -3.978   5.723
  303    HA   GLN  50           HA       GLN  50  -0.038  -3.013   7.424
  304    HB2  GLN  50           HB2      GLN  50   1.195  -4.709   8.819
  305    HB3  GLN  50           HB1      GLN  50  -0.480  -5.101   8.457
  306    HG2  GLN  50           HG2      GLN  50   0.197  -6.673   6.773
  307    HG3  GLN  50           HG1      GLN  50   1.886  -6.203   6.960
  308   HE21  GLN  50          HE21      GLN  50   2.484  -6.262   9.460
  309   HE22  GLN  50          HE22      GLN  50   2.131  -7.776  10.214
  310    H    CYS  51           HN       CYS  51   1.230  -1.670   5.987
  311    HA   CYS  51           HA       CYS  51   3.159  -0.828   5.095
  312    HB2  CYS  51           HB2      CYS  51   4.377  -2.082   7.557
  313    HB3  CYS  51           HB1      CYS  51   4.985  -0.691   6.666
  314    H    ARG  52           HN       ARG  52   2.540  -3.601   4.234
  315    HA   ARG  52           HA       ARG  52   5.173  -4.194   3.153
  316    HB2  ARG  52           HB2      ARG  52   4.521  -5.543   5.382
  317    HB3  ARG  52           HB1      ARG  52   3.743  -6.576   4.191
  318    HG2  ARG  52           HG2      ARG  52   5.680  -7.460   3.568
  319    HG3  ARG  52           HG1      ARG  52   6.421  -5.871   3.374
  320    HD2  ARG  52           HD2      ARG  52   6.009  -7.071   6.090
  321    HD3  ARG  52           HD1      ARG  52   7.413  -7.495   5.113
  322    HE   ARG  52           HE       ARG  52   7.431  -4.785   5.104
  323   HH11  ARG  52          HH11      ARG  52   7.302  -7.179   7.640
  324   HH12  ARG  52          HH12      ARG  52   8.131  -6.186   8.791
  325   HH21  ARG  52          HH21      ARG  52   8.522  -3.478   6.617
  326   HH22  ARG  52          HH22      ARG  52   8.823  -4.085   8.211
  327    H    PHE  53           HN       PHE  53   4.934  -6.233   1.640
  328    HA   PHE  53           HA       PHE  53   2.598  -5.693  -0.042
  329    HB2  PHE  53           HB2      PHE  53   5.290  -6.921  -0.600
  330    HB3  PHE  53           HB1      PHE  53   3.947  -7.129  -1.720
  331    HD1  PHE  53           HD1      PHE  53   2.762  -4.333  -1.251
  332    HD2  PHE  53           HD2      PHE  53   6.702  -5.710  -2.073
  333    HE1  PHE  53           HE1      PHE  53   3.285  -2.186  -2.299
  334    HE2  PHE  53           HE2      PHE  53   7.238  -3.550  -3.123
  335    HZ   PHE  53           HZ       PHE  53   5.527  -1.781  -3.237
  336    H    LYS  54           HN       LYS  54   1.122  -7.228  -0.587
  337    HA   LYS  54           HA       LYS  54   0.831  -9.465   1.121
  338    HB2  LYS  54           HB2      LYS  54  -0.646  -8.243  -1.076
  339    HB3  LYS  54           HB1      LYS  54  -0.744  -9.998  -1.108
  340    HG2  LYS  54           HG2      LYS  54  -1.932 -10.108   0.825
  341    HG3  LYS  54           HG1      LYS  54  -1.199  -8.646   1.487
  342    HD2  LYS  54           HD2      LYS  54  -2.548  -7.256   0.069
  343    HD3  LYS  54           HD1      LYS  54  -3.172  -8.664  -0.792
  344    HE2  LYS  54           HE2      LYS  54  -4.278  -9.435   1.231
  345    HE3  LYS  54           HE1      LYS  54  -3.609  -8.076   2.134
  346    HZ1  LYS  54           HZ1      LYS  54  -5.180  -7.474  -0.256
  347    HZ2  LYS  54           HZ2      LYS  54  -5.056  -6.620   1.198
  348    HZ3  LYS  54           HZ3      LYS  54  -6.018  -8.008   1.113
  349    H    LYS  55           HN       LYS  55   2.219 -11.108   1.086
  350    HA   LYS  55           HA       LYS  55   4.075 -11.888  -0.654
  351    HB2  LYS  55           HB2      LYS  55   3.578 -13.002   1.512
  352    HB3  LYS  55           HB1      LYS  55   2.254 -13.859   0.735
  353    HG2  LYS  55           HG2      LYS  55   3.962 -15.411   0.699
  354    HG3  LYS  55           HG1      LYS  55   4.061 -14.691  -0.909
  355    HD2  LYS  55           HD2      LYS  55   6.282 -14.787  -0.131
  356    HD3  LYS  55           HD1      LYS  55   5.788 -13.105   0.076
  357    HE2  LYS  55           HE2      LYS  55   5.628 -13.302   2.380
  358    HE3  LYS  55           HE1      LYS  55   5.457 -15.056   2.318
  359    HZ1  LYS  55           HZ1      LYS  55   7.963 -13.875   1.368
  360    HZ2  LYS  55           HZ2      LYS  55   7.692 -15.361   2.129
  361    HZ3  LYS  55           HZ3      LYS  55   7.695 -13.935   3.038
  362    H    ALA  56           HN       ALA  56   4.262 -12.651  -2.656
  363    HA   ALA  56           HA       ALA  56   2.354 -12.621  -4.552
  364    HB1  ALA  56           HB1      ALA  56   3.756 -14.535  -5.658
  365    HB2  ALA  56           HB2      ALA  56   4.854 -14.220  -4.312
  366    HB3  ALA  56           HB3      ALA  56   4.445 -12.926  -5.438
  367    H    GLY  57           HN       GLY  57   0.813 -13.938  -5.362
  368    HA2  GLY  57           HA2      GLY  57  -0.225 -16.122  -5.586
  369    HA3  GLY  57           HA1      GLY  57   0.384 -16.517  -3.982
  370    H    THR  58           HN       THR  58  -0.424 -13.570  -3.349
  371    HA   THR  58           HA       THR  58  -3.006 -14.251  -2.270
  372    HB   THR  58           HB       THR  58  -1.426 -11.666  -2.239
  373    HG1  THR  58           HG1      THR  58  -1.787 -13.725  -0.325
  374   HG21  THR  58          HG21      THR  58  -3.076 -10.619  -1.222
  375   HG22  THR  58          HG22      THR  58  -3.324 -11.964  -0.106
  376   HG23  THR  58          HG23      THR  58  -4.126 -11.966  -1.679
  377    H    VAL  59           HN       VAL  59  -4.760 -14.209  -3.545
  378    HA   VAL  59           HA       VAL  59  -4.841 -12.816  -6.005
  379    HB   VAL  59           HB       VAL  59  -6.168 -14.849  -5.630
  380   HG11  VAL  59          HG11      VAL  59  -8.290 -13.462  -4.143
  381   HG12  VAL  59          HG12      VAL  59  -6.822 -13.805  -3.228
  382   HG13  VAL  59          HG13      VAL  59  -7.703 -15.119  -4.008
  383   HG21  VAL  59          HG21      VAL  59  -7.245 -13.988  -7.384
  384   HG22  VAL  59          HG22      VAL  59  -7.221 -12.361  -6.705
  385   HG23  VAL  59          HG23      VAL  59  -8.488 -13.494  -6.236
  386    H    CYS  60           HN       CYS  60  -5.196 -10.732  -6.360
  387    HA   CYS  60           HA       CYS  60  -6.604  -9.173  -4.296
  388    HB2  CYS  60           HB2      CYS  60  -4.970  -7.967  -6.508
  389    HB3  CYS  60           HB1      CYS  60  -5.407  -7.264  -4.956
  390    H    ARG  61           HN       ARG  61  -6.806 -10.289  -7.536
  391    HA   ARG  61           HA       ARG  61  -9.384  -9.000  -7.855
  392    HB2  ARG  61           HB2      ARG  61  -7.049  -7.913  -9.077
  393    HB3  ARG  61           HB1      ARG  61  -8.046  -8.608 -10.347
  394    HG2  ARG  61           HG2      ARG  61  -9.929  -7.281  -8.978
  395    HG3  ARG  61           HG1      ARG  61  -8.531  -6.272  -8.615
  396    HD2  ARG  61           HD2      ARG  61  -9.858  -6.823 -11.231
  397    HD3  ARG  61           HD1      ARG  61  -9.331  -5.290 -10.544
  398    HE   ARG  61           HE       ARG  61  -7.863  -6.908 -12.310
  399   HH11  ARG  61          HH11      ARG  61  -7.421  -4.987  -9.426
  400   HH12  ARG  61          HH12      ARG  61  -5.743  -4.694  -9.732
  401   HH21  ARG  61          HH21      ARG  61  -5.660  -6.525 -12.707
  402   HH22  ARG  61          HH22      ARG  61  -4.743  -5.563 -11.596
  403    H    ILE  62           HN       ILE  62 -10.127  -9.572 -10.281
  404    HA   ILE  62           HA       ILE  62  -9.276 -11.915 -11.508
  405    HB   ILE  62           HB       ILE  62  -9.932 -13.116  -9.518
  406   HG12  ILE  62          HG12      ILE  62 -11.629 -14.649 -10.474
  407   HG13  ILE  62          HG11      ILE  62 -11.958 -13.469 -11.737
  408   HG21  ILE  62          HG21      ILE  62 -11.674 -11.232  -8.973
  409   HG22  ILE  62          HG22      ILE  62 -11.905 -12.878  -8.380
  410   HG23  ILE  62          HG23      ILE  62 -12.784 -12.321  -9.807
  411   HD11  ILE  62          HD11      ILE  62  -9.535 -13.676 -12.390
  412   HD12  ILE  62          HD12      ILE  62 -10.544 -15.093 -12.682
  413   HD13  ILE  62          HD13      ILE  62  -9.453 -15.058 -11.297
  414    H    ALA  63           HN       ALA  63 -10.270 -12.100 -13.424
  415    HA   ALA  63           HA       ALA  63 -12.002 -10.059 -14.266
  416    HB1  ALA  63           HB1      ALA  63 -11.182 -10.702 -16.213
  417    HB2  ALA  63           HB2      ALA  63 -12.183 -12.148 -16.143
  418    HB3  ALA  63           HB3      ALA  63 -10.543 -12.178 -15.494
  419    H    ARG  64           HN       ARG  64 -13.069 -13.281 -15.141
  420    HA   ARG  64           HA       ARG  64 -15.394 -13.046 -13.393
  421    HB2  ARG  64           HB2      ARG  64 -15.645 -12.082 -15.884
  422    HB3  ARG  64           HB1      ARG  64 -15.992 -13.775 -16.208
  423    HG2  ARG  64           HG2      ARG  64 -18.054 -12.638 -15.823
  424    HG3  ARG  64           HG1      ARG  64 -17.739 -13.696 -14.445
  425    HD2  ARG  64           HD2      ARG  64 -16.557 -11.425 -13.595
  426    HD3  ARG  64           HD1      ARG  64 -17.840 -10.753 -14.600
  427    HE   ARG  64           HE       ARG  64 -18.134 -12.074 -12.071
  428   HH11  ARG  64          HH11      ARG  64 -19.726 -11.302 -15.079
  429   HH12  ARG  64          HH12      ARG  64 -21.319 -11.421 -14.412
  430   HH21  ARG  64          HH21      ARG  64 -20.229 -12.233 -11.191
  431   HH22  ARG  64          HH22      ARG  64 -21.605 -11.949 -12.205
  432    H    GLY  65           HN       GLY  65 -14.498 -14.877 -12.310
  433    HA2  GLY  65           HA2      GLY  65 -15.339 -17.240 -12.270
  434    HA3  GLY  65           HA1      GLY  65 -14.660 -17.368 -13.887
  435    H    ASP  66           HN       ASP  66 -12.595 -17.941 -14.127
  436    HA   ASP  66           HA       ASP  66 -10.500 -17.436 -12.386
  437    HB2  ASP  66           HB2      ASP  66 -10.188 -19.777 -11.444
  438    HB3  ASP  66           HB1      ASP  66 -11.477 -18.821 -10.720
  439    H    TRP  67           HN       TRP  67  -9.440 -17.112 -14.289
  440    HA   TRP  67           HA       TRP  67  -8.773 -19.528 -15.843
  441    HB2  TRP  67           HB2      TRP  67  -8.190 -17.268 -17.423
  442    HB3  TRP  67           HB1      TRP  67  -9.481 -18.436 -17.671
  443    HD1  TRP  67           HD1      TRP  67  -8.996 -15.175 -15.562
  444    HE1  TRP  67           HE1      TRP  67 -11.210 -13.898 -15.610
  445    HE3  TRP  67           HE3      TRP  67 -11.768 -18.463 -18.317
  446    HZ2  TRP  67           HZ2      TRP  67 -13.792 -14.217 -16.684
  447    HZ3  TRP  67           HZ3      TRP  67 -14.112 -17.895 -18.820
  448    HH2  TRP  67           HH2      TRP  67 -15.103 -15.812 -18.017
  449    H    ASN  68           HN       ASN  68  -7.558 -16.242 -15.528
  450    HA   ASN  68           HA       ASN  68  -4.832 -17.275 -15.172
  451    HB2  ASN  68           HB2      ASN  68  -5.415 -14.397 -15.728
  452    HB3  ASN  68           HB1      ASN  68  -4.021 -15.365 -16.200
  453   HD21  ASN  68          HD21      ASN  68  -7.481 -14.937 -16.809
  454   HD22  ASN  68          HD22      ASN  68  -7.428 -15.406 -18.470
  455    H    ASP  69           HN       ASP  69  -7.342 -15.276 -13.837
  456    HA   ASP  69           HA       ASP  69  -7.659 -14.351 -11.793
  457    HB2  ASP  69           HB2      ASP  69  -5.537 -16.368 -11.221
  458    HB3  ASP  69           HB1      ASP  69  -6.018 -15.228  -9.972
  459    H    ASP  70           HN       ASP  70  -6.568 -13.108 -10.026
  460    HA   ASP  70           HA       ASP  70  -4.291 -11.597 -11.100
  461    HB2  ASP  70           HB2      ASP  70  -6.472 -10.328 -11.017
  462    HB3  ASP  70           HB1      ASP  70  -6.443 -10.531  -9.271
  463    H    TYR  71           HN       TYR  71  -2.499 -11.893  -9.927
  464    HA   TYR  71           HA       TYR  71  -2.859 -12.416  -7.060
  465    HB2  TYR  71           HB2      TYR  71  -1.325 -14.008  -9.070
  466    HB3  TYR  71           HB1      TYR  71  -0.893 -14.043  -7.360
  467    HD1  TYR  71           HD2      TYR  71  -2.734 -14.585  -5.714
  468    HD2  TYR  71           HD1      TYR  71  -3.044 -15.383  -9.868
  469    HE1  TYR  71           HE2      TYR  71  -4.484 -16.220  -5.239
  470    HE2  TYR  71           HE1      TYR  71  -4.811 -17.025  -9.437
  471    HH   TYR  71           HH       TYR  71  -5.357 -18.509  -6.866
  472    H    CYS  72           HN       CYS  72  -1.358 -11.799  -5.677
  473    HA   CYS  72           HA       CYS  72   0.203  -9.541  -6.229
  474    HB2  CYS  72           HB2      CYS  72  -0.295 -11.348  -3.972
  475    HB3  CYS  72           HB1      CYS  72   1.310 -10.622  -3.957
  476    H    THR  73           HN       THR  73   2.555  -9.359  -6.011
  477    HA   THR  73           HA       THR  73   3.953 -11.762  -6.986
  478    HB   THR  73           HB       THR  73   5.250 -10.462  -8.480
  479    HG1  THR  73           HG1      THR  73   5.705  -8.666  -7.268
  480   HG21  THR  73          HG21      THR  73   3.681 -10.120 -10.004
  481   HG22  THR  73          HG22      THR  73   2.955  -8.815  -9.067
  482   HG23  THR  73          HG23      THR  73   2.498 -10.489  -8.749
  483    H    GLY  74           HN       GLY  74   3.654  -9.750  -4.416
  484    HA2  GLY  74           HA2      GLY  74   4.959  -9.273  -2.594
  485    HA3  GLY  74           HA1      GLY  74   5.894 -10.686  -3.056
  486    H    LYS  75           HN       LYS  75   5.638  -8.067  -5.304
  487    HA   LYS  75           HA       LYS  75   8.259  -7.037  -4.485
  488    HB2  LYS  75           HB2      LYS  75   7.583  -7.699  -7.350
  489    HB3  LYS  75           HB1      LYS  75   9.128  -7.144  -6.721
  490    HG2  LYS  75           HG2      LYS  75   8.545  -9.455  -5.275
  491    HG3  LYS  75           HG1      LYS  75   8.089  -9.818  -6.940
  492    HD2  LYS  75           HD2      LYS  75  10.293  -9.148  -7.712
  493    HD3  LYS  75           HD1      LYS  75  10.751  -8.699  -6.068
  494    HE2  LYS  75           HE2      LYS  75  10.062 -11.464  -7.055
  495    HE3  LYS  75           HE1      LYS  75  11.666 -10.873  -6.622
  496    HZ1  LYS  75           HZ1      LYS  75   9.361 -11.341  -4.820
  497    HZ2  LYS  75           HZ2      LYS  75  10.733 -10.474  -4.344
  498    HZ3  LYS  75           HZ3      LYS  75  10.873 -12.099  -4.790
  499    H    SER  76           HN       SER  76   5.213  -6.211  -4.816
  500    HA   SER  76           HA       SER  76   5.703  -3.461  -5.115
  501    HB2  SER  76           HB2      SER  76   6.032  -3.874  -7.459
  502    HB3  SER  76           HB1      SER  76   4.566  -4.850  -7.547
  503    HG   SER  76           HG       SER  76   4.863  -2.153  -7.707
  504    H    SER  77           HN       SER  77   3.585  -2.216  -5.382
  505    HA   SER  77           HA       SER  77   1.606  -3.476  -3.660
  506    HB2  SER  77           HB2      SER  77   0.724  -0.893  -4.308
  507    HB3  SER  77           HB1      SER  77   1.544  -1.392  -2.829
  508    HG   SER  77           HG       SER  77   2.463   0.372  -4.307
  509    H    ASP  78           HN       ASP  78   2.074  -3.800  -6.767
  510    HA   ASP  78           HA       ASP  78  -0.726  -3.358  -7.550
  511    HB2  ASP  78           HB2      ASP  78   1.831  -3.484  -9.125
  512    HB3  ASP  78           HB1      ASP  78   0.279  -3.766  -9.909
  513    H    CYS  79           HN       CYS  79  -1.936  -4.997  -8.419
  514    HA   CYS  79           HA       CYS  79  -0.777  -7.706  -8.254
  515    HB2  CYS  79           HB2      CYS  79  -2.906  -6.627  -6.777
  516    HB3  CYS  79           HB1      CYS  79  -3.658  -7.669  -7.979
  517    HA   PRO  80           HA       PRO  80  -2.016  -7.397 -12.622
  518    HB2  PRO  80           HB2      PRO  80  -0.537  -9.489 -13.483
  519    HB3  PRO  80           HB1      PRO  80   0.168  -7.902 -13.157
  520    HG2  PRO  80           HG2      PRO  80   0.134 -10.348 -11.427
  521    HG3  PRO  80           HG1      PRO  80   1.476  -9.240 -11.769
  522    HD2  PRO  80           HD2      PRO  80   0.015  -9.102  -9.492
  523    HD3  PRO  80           HD1      PRO  80   0.731  -7.670 -10.256
  524    H    TRP  81           HN       TRP  81  -3.840  -8.218 -13.404
  525    HA   TRP  81           HA       TRP  81  -4.881 -10.714 -12.341
  526    HB2  TRP  81           HB2      TRP  81  -6.998 -10.079 -13.418
  527    HB3  TRP  81           HB1      TRP  81  -6.408  -8.863 -12.298
  528    HD1  TRP  81           HD1      TRP  81  -4.318  -8.038 -15.041
  529    HE1  TRP  81           HE1      TRP  81  -5.387  -6.292 -16.598
  530    HE3  TRP  81           HE3      TRP  81  -9.143  -8.503 -13.541
  531    HZ2  TRP  81           HZ2      TRP  81  -7.964  -5.251 -17.109
  532    HZ3  TRP  81           HZ3      TRP  81 -10.875  -7.103 -14.605
  533    HH2  TRP  81           HH2      TRP  81 -10.289  -5.509 -16.362
  534    H    ASN  82           HN       ASN  82  -3.319  -9.636 -15.085
  535    HA   ASN  82           HA       ASN  82  -2.706 -10.607 -17.047
  536    HB2  ASN  82           HB2      ASN  82  -3.468 -12.942 -15.355
  537    HB3  ASN  82           HB1      ASN  82  -3.227 -13.215 -17.077
  538   HD21  ASN  82          HD21      ASN  82  -1.707 -11.938 -14.171
  539   HD22  ASN  82          HD22      ASN  82  -0.081 -12.250 -14.665
  540    H    HIS  83           HN       HIS  83  -5.153  -9.313 -17.024
  541    HA   HIS  83           HA       HIS  83  -6.620 -10.877 -19.031
  542    HB2  HIS  83           HB2      HIS  83  -8.005  -9.159 -16.971
  543    HB3  HIS  83           HB1      HIS  83  -8.742 -10.274 -18.118
  544    HD1  HIS  83           HD1      HIS  83  -8.616 -10.197 -14.781
  545    HD2  HIS  83           HD2      HIS  83  -6.992 -12.943 -17.436
  546    HE1  HIS  83           HE1      HIS  83  -8.300 -12.309 -13.455
  547    HE2  HIS  83           HE2      HIS  83  -7.205 -13.914 -15.055
  Start of MODEL   27
    1    H1   SER   1           HT1      SER   1  -3.904  11.441  17.633
    2    H2   SER   1           HT2      SER   1  -4.330  12.825  16.714
    3    H3   SER   1           HT3      SER   1  -5.510  12.035  17.677
    4    HA   SER   1           HA       SER   1  -5.062  13.636  19.093
    5    HB2  SER   1           HB2      SER   1  -3.327  11.327  19.480
    6    HB3  SER   1           HB1      SER   1  -2.673  12.775  20.245
    7    HG   SER   1           HG       SER   1  -4.869  13.016  21.147
    8    HA   PRO   2           HA       PRO   2  -0.809  15.555  18.003
    9    HB2  PRO   2           HB2      PRO   2   0.477  14.043  15.918
   10    HB3  PRO   2           HB1      PRO   2   1.021  14.302  17.575
   11    HG2  PRO   2           HG2      PRO   2   0.207  11.875  16.571
   12    HG3  PRO   2           HG1      PRO   2   0.187  12.308  18.289
   13    HD2  PRO   2           HD2      PRO   2  -2.058  12.270  16.313
   14    HD3  PRO   2           HD1      PRO   2  -2.051  11.803  18.027
   15    HA   PRO   3           HA       PRO   3  -2.022  17.631  14.297
   16    HB2  PRO   3           HB2      PRO   3   0.158  19.005  13.565
   17    HB3  PRO   3           HB1      PRO   3  -0.699  19.362  15.070
   18    HG2  PRO   3           HG2      PRO   3   1.810  17.788  14.646
   19    HG3  PRO   3           HG1      PRO   3   1.432  18.971  15.911
   20    HD2  PRO   3           HD2      PRO   3   1.286  16.251  16.258
   21    HD3  PRO   3           HD1      PRO   3   0.340  17.423  17.196
   22    H    VAL   4           HN       VAL   4  -2.403  16.981  12.277
   23    HA   VAL   4           HA       VAL   4  -1.157  14.904  11.028
   24    HB   VAL   4           HB       VAL   4  -3.422  15.684  10.563
   25   HG11  VAL   4          HG11      VAL   4  -3.968  17.710   9.603
   26   HG12  VAL   4          HG12      VAL   4  -2.346  17.963   8.960
   27   HG13  VAL   4          HG13      VAL   4  -2.647  18.148  10.686
   28   HG21  VAL   4          HG21      VAL   4  -3.267  15.744   8.050
   29   HG22  VAL   4          HG22      VAL   4  -2.600  14.337   8.859
   30   HG23  VAL   4          HG23      VAL   4  -1.527  15.602   8.252
   31    H    CYS   5           HN       CYS   5   1.067  15.231  11.046
   32    HA   CYS   5           HA       CYS   5   2.305  17.556   9.980
   33    HB2  CYS   5           HB2      CYS   5   4.004  15.199   9.781
   34    HB3  CYS   5           HB1      CYS   5   4.219  16.647  10.746
   35    H    GLY   6           HN       GLY   6   1.615  18.064   7.989
   36    HA2  GLY   6           HA2      GLY   6   2.222  17.935   5.661
   37    HA3  GLY   6           HA1      GLY   6   2.307  16.187   5.827
   38    H    ASN   7           HN       ASN   7  -0.356  17.413   7.483
   39    HA   ASN   7           HA       ASN   7  -2.599  17.330   7.155
   40    HB2  ASN   7           HB2      ASN   7  -1.549  18.326   4.560
   41    HB3  ASN   7           HB1      ASN   7  -3.193  17.691   4.531
   42   HD21  ASN   7          HD21      ASN   7  -3.807  19.870   4.010
   43   HD22  ASN   7          HD22      ASN   7  -3.994  21.035   5.272
   44    H    LYS   8           HN       LYS   8  -4.225  15.850   6.638
   45    HA   LYS   8           HA       LYS   8  -3.499  13.210   6.262
   46    HB2  LYS   8           HB2      LYS   8  -5.756  14.290   7.046
   47    HB3  LYS   8           HB1      LYS   8  -6.188  14.169   5.346
   48    HG2  LYS   8           HG2      LYS   8  -5.408  11.901   7.164
   49    HG3  LYS   8           HG1      LYS   8  -7.022  12.254   6.543
   50    HD2  LYS   8           HD2      LYS   8  -5.787  12.082   4.217
   51    HD3  LYS   8           HD1      LYS   8  -4.653  11.103   5.150
   52    HE2  LYS   8           HE2      LYS   8  -6.153   9.426   5.472
   53    HE3  LYS   8           HE1      LYS   8  -7.535  10.520   5.495
   54    HZ1  LYS   8           HZ1      LYS   8  -6.065  10.069   2.985
   55    HZ2  LYS   8           HZ2      LYS   8  -7.677  10.529   3.211
   56    HZ3  LYS   8           HZ3      LYS   8  -7.205   8.932   3.506
   57    H    ILE   9           HN       ILE   9  -2.254  12.674   4.550
   58    HA   ILE   9           HA       ILE   9  -2.195  13.729   2.040
   59    HB   ILE   9           HB       ILE   9  -1.570  11.477   1.128
   60   HG12  ILE   9          HG12      ILE   9  -1.037   9.781   2.967
   61   HG13  ILE   9          HG11      ILE   9  -2.199  10.666   3.952
   62   HG21  ILE   9          HG21      ILE   9   0.075  11.825   3.545
   63   HG22  ILE   9          HG22      ILE   9  -0.139  13.244   2.520
   64   HG23  ILE   9          HG23      ILE   9   0.544  11.766   1.848
   65   HD11  ILE   9          HD11      ILE   9  -2.715   8.610   2.137
   66   HD12  ILE   9          HD12      ILE   9  -3.316  10.079   1.376
   67   HD13  ILE   9          HD13      ILE   9  -3.889   9.619   2.978
   68    H    LEU  10           HN       LEU  10  -3.398  13.817   0.289
   69    HA   LEU  10           HA       LEU  10  -5.998  12.499   0.379
   70    HB2  LEU  10           HB2      LEU  10  -6.569  14.129  -1.458
   71    HB3  LEU  10           HB1      LEU  10  -6.217  14.833   0.110
   72    HG   LEU  10           HG       LEU  10  -5.271  15.956  -2.015
   73   HD11  LEU  10          HD11      LEU  10  -2.994  15.687  -0.242
   74   HD12  LEU  10          HD12      LEU  10  -4.506  15.925   0.634
   75   HD13  LEU  10          HD13      LEU  10  -4.002  17.091  -0.589
   76   HD21  LEU  10          HD21      LEU  10  -4.322  13.877  -2.964
   77   HD22  LEU  10          HD22      LEU  10  -3.169  13.830  -1.631
   78   HD23  LEU  10          HD23      LEU  10  -3.134  15.167  -2.781
   79    H    GLU  11           HN       GLU  11  -3.193  11.608  -0.602
   80    HA   GLU  11           HA       GLU  11  -3.945   9.614  -2.349
   81    HB2  GLU  11           HB2      GLU  11  -3.250  10.369  -4.527
   82    HB3  GLU  11           HB1      GLU  11  -4.441  11.505  -3.914
   83    HG2  GLU  11           HG2      GLU  11  -2.257  12.747  -3.063
   84    HG3  GLU  11           HG1      GLU  11  -1.547  11.870  -4.417
   85    H    GLN  12           HN       GLN  12  -2.138  10.120  -0.158
   86    HA   GLN  12           HA       GLN  12   0.171   8.792  -1.198
   87    HB2  GLN  12           HB2      GLN  12   1.622  10.722  -0.008
   88    HB3  GLN  12           HB1      GLN  12   1.268  10.699  -1.727
   89    HG2  GLN  12           HG2      GLN  12  -0.869  12.027  -0.414
   90    HG3  GLN  12           HG1      GLN  12   0.649  12.690   0.186
   91   HE21  GLN  12          HE21      GLN  12  -1.198  14.131  -1.340
   92   HE22  GLN  12          HE22      GLN  12  -0.466  14.525  -2.854
   93    H    GLY  13           HN       GLY  13  -1.260   7.559   0.513
   94    HA2  GLY  13           HA2      GLY  13  -1.242   8.000   3.220
   95    HA3  GLY  13           HA1      GLY  13  -1.108   6.404   2.505
   96    H    GLU  14           HN       GLU  14   1.469   7.278   1.236
   97    HA   GLU  14           HA       GLU  14   3.371   7.831   3.287
   98    HB2  GLU  14           HB2      GLU  14   4.395   5.706   3.519
   99    HB3  GLU  14           HB1      GLU  14   2.680   5.419   3.743
  100    HG2  GLU  14           HG2      GLU  14   4.368   4.765   1.349
  101    HG3  GLU  14           HG1      GLU  14   3.471   3.663   2.389
  102    H    ASP  15           HN       ASP  15   2.409   8.485   0.594
  103    HA   ASP  15           HA       ASP  15   4.776   7.979  -1.032
  104    HB2  ASP  15           HB2      ASP  15   2.659   7.421  -2.077
  105    HB3  ASP  15           HB1      ASP  15   2.001   9.000  -1.679
  106    H    CYS  16           HN       CYS  16   4.529   9.819   1.303
  107    HA   CYS  16           HA       CYS  16   5.833  11.723   1.675
  108    HB2  CYS  16           HB2      CYS  16   6.325  11.639  -0.839
  109    HB3  CYS  16           HB1      CYS  16   5.009  12.795  -1.000
  110    H    ASP  17           HN       ASP  17   4.887  12.880   3.141
  111    HA   ASP  17           HA       ASP  17   3.670  14.664   3.968
  112    HB2  ASP  17           HB2      ASP  17   2.951  14.950   1.377
  113    HB3  ASP  17           HB1      ASP  17   1.411  14.452   2.072
  114    H    CYS  18           HN       CYS  18   3.463  11.778   4.459
  115    HA   CYS  18           HA       CYS  18   1.251  10.455   4.821
  116    HB2  CYS  18           HB2      CYS  18   2.897  11.183   7.250
  117    HB3  CYS  18           HB1      CYS  18   1.883   9.763   7.066
  118    H    GLY  19           HN       GLY  19   1.856  13.322   6.866
  119    HA2  GLY  19           HA2      GLY  19   0.359  14.749   7.917
  120    HA3  GLY  19           HA1      GLY  19  -0.876  14.099   6.852
  121    H    SER  20           HN       SER  20  -1.484  11.706   7.480
  122    HA   SER  20           HA       SER  20  -2.786  11.818   9.895
  123    HB2  SER  20           HB2      SER  20  -3.118   9.417   9.721
  124    HB3  SER  20           HB1      SER  20  -3.310  10.179   8.143
  125    HG   SER  20           HG       SER  20  -1.662   9.080   7.431
  126    HA   PRO  21           HA       PRO  21   0.854  11.866  12.496
  127    HB2  PRO  21           HB2      PRO  21  -1.343  11.828  14.517
  128    HB3  PRO  21           HB1      PRO  21   0.074  12.880  14.415
  129    HG2  PRO  21           HG2      PRO  21  -2.330  13.785  13.719
  130    HG3  PRO  21           HG1      PRO  21  -0.886  14.236  12.794
  131    HD2  PRO  21           HD2      PRO  21  -3.026  12.264  12.125
  132    HD3  PRO  21           HD1      PRO  21  -2.141  13.361  11.047
  133    H    ALA  22           HN       ALA  22  -1.852   9.652  12.600
  134    HA   ALA  22           HA       ALA  22  -1.004   7.855  14.538
  135    HB1  ALA  22           HB1      ALA  22  -3.055   7.236  13.787
  136    HB2  ALA  22           HB2      ALA  22  -2.095   6.158  12.775
  137    HB3  ALA  22           HB3      ALA  22  -2.699   7.679  12.118
  138    H    ASN  23           HN       ASN  23   0.310   8.577  11.441
  139    HA   ASN  23           HA       ASN  23   2.161   6.306  11.650
  140    HB2  ASN  23           HB2      ASN  23   1.552   7.850   9.130
  141    HB3  ASN  23           HB1      ASN  23   2.368   6.296   9.283
  142   HD21  ASN  23          HD21      ASN  23  -0.723   7.899   9.869
  143   HD22  ASN  23          HD22      ASN  23  -1.703   6.513   9.550
  144    H    CYS  24           HN       CYS  24   1.875   9.735  11.666
  145    HA   CYS  24           HA       CYS  24   4.341  10.564  10.688
  146    HB2  CYS  24           HB2      CYS  24   2.412  12.034  11.433
  147    HB3  CYS  24           HB1      CYS  24   2.966  11.795  13.085
  148    H    GLN  25           HN       GLN  25   6.000   9.198  11.220
  149    HA   GLN  25           HA       GLN  25   7.908   8.730  12.401
  150    HB2  GLN  25           HB2      GLN  25   6.690   9.853  14.911
  151    HB3  GLN  25           HB1      GLN  25   8.390   9.690  14.494
  152    HG2  GLN  25           HG2      GLN  25   7.163  11.344  12.543
  153    HG3  GLN  25           HG1      GLN  25   6.680  11.920  14.137
  154   HE21  GLN  25          HE21      GLN  25   9.650  10.551  12.751
  155   HE22  GLN  25          HE22      GLN  25  10.694  11.810  13.310
  156    H    ASP  26           HN       ASP  26   4.909   8.261  14.270
  157    HA   ASP  26           HA       ASP  26   5.709   6.064  15.765
  158    HB2  ASP  26           HB2      ASP  26   3.079   7.108  14.827
  159    HB3  ASP  26           HB1      ASP  26   3.126   5.484  15.506
  160    H    ARG  27           HN       ARG  27   3.346   5.604  13.161
  161    HA   ARG  27           HA       ARG  27   4.063   2.918  12.735
  162    HB2  ARG  27           HB2      ARG  27   1.943   4.427  12.028
  163    HB3  ARG  27           HB1      ARG  27   2.798   4.386  10.492
  164    HG2  ARG  27           HG2      ARG  27   1.592   2.515  10.191
  165    HG3  ARG  27           HG1      ARG  27   2.888   1.780  11.137
  166    HD2  ARG  27           HD2      ARG  27   0.555   2.972  12.558
  167    HD3  ARG  27           HD1      ARG  27   0.365   1.405  11.772
  168    HE   ARG  27           HE       ARG  27   2.674   1.256  13.292
  169   HH11  ARG  27          HH11      ARG  27  -0.734   1.768  13.846
  170   HH12  ARG  27          HH12      ARG  27  -0.711   1.061  15.426
  171   HH21  ARG  27          HH21      ARG  27   2.706   0.325  15.370
  172   HH22  ARG  27          HH22      ARG  27   1.242   0.242  16.292
  173    H    CYS  28           HN       CYS  28   4.188   2.733   9.894
  174    HA   CYS  28           HA       CYS  28   7.006   3.372   9.541
  175    HB2  CYS  28           HB2      CYS  28   6.983   1.799   7.722
  176    HB3  CYS  28           HB1      CYS  28   6.132   1.075   9.082
  177    H    CYS  29           HN       CYS  29   5.368   5.629   9.454
  178    HA   CYS  29           HA       CYS  29   5.696   6.417   6.642
  179    HB2  CYS  29           HB2      CYS  29   3.244   5.986   7.567
  180    HB3  CYS  29           HB1      CYS  29   3.456   7.613   8.203
  181    H    ASN  30           HN       ASN  30   6.406   8.481   6.278
  182    HA   ASN  30           HA       ASN  30   7.279   9.959   8.664
  183    HB2  ASN  30           HB2      ASN  30   8.377   9.824   5.868
  184    HB3  ASN  30           HB1      ASN  30   8.821  11.091   6.988
  185   HD21  ASN  30          HD21      ASN  30   9.090   9.847   9.338
  186   HD22  ASN  30          HD22      ASN  30  10.328   8.645   9.266
  187    H    ALA  31           HN       ALA  31   5.524  11.164   9.063
  188    HA   ALA  31           HA       ALA  31   4.249  12.721   6.985
  189    HB1  ALA  31           HB1      ALA  31   3.400  13.671   9.484
  190    HB2  ALA  31           HB2      ALA  31   3.603  11.938   9.673
  191    HB3  ALA  31           HB3      ALA  31   2.545  12.567   8.419
  192    H    ALA  32           HN       ALA  32   6.869  12.963   9.112
  193    HA   ALA  32           HA       ALA  32   7.037  15.886   8.842
  194    HB1  ALA  32           HB1      ALA  32   8.815  15.719  10.554
  195    HB2  ALA  32           HB2      ALA  32   8.563  13.973  10.616
  196    HB3  ALA  32           HB3      ALA  32   7.274  15.070  11.118
  197    H    THR  33           HN       THR  33   8.312  12.886   7.777
  198    HA   THR  33           HA       THR  33  10.603  14.192   6.498
  199    HB   THR  33           HB       THR  33  10.621  11.327   6.244
  200    HG1  THR  33           HG1      THR  33  10.380  12.339   8.886
  201   HG21  THR  33          HG21      THR  33  12.749  11.458   7.045
  202   HG22  THR  33          HG22      THR  33  12.382  12.826   8.096
  203   HG23  THR  33          HG23      THR  33  12.528  13.065   6.354
  204    H    CYS  34           HN       CYS  34   7.551  13.628   5.815
  205    HA   CYS  34           HA       CYS  34   6.285  13.163   4.000
  206    HB2  CYS  34           HB2      CYS  34   7.575  15.342   3.529
  207    HB3  CYS  34           HB1      CYS  34   8.495  14.380   2.378
  208    H    LYS  35           HN       LYS  35   7.402  10.773   4.537
  209    HA   LYS  35           HA       LYS  35   7.303   9.493   2.048
  210    HB2  LYS  35           HB2      LYS  35   9.726  10.677   2.310
  211    HB3  LYS  35           HB1      LYS  35  10.058   9.072   2.942
  212    HG2  LYS  35           HG2      LYS  35  10.569   9.064   0.620
  213    HG3  LYS  35           HG1      LYS  35   9.094   8.123   0.852
  214    HD2  LYS  35           HD2      LYS  35   8.698   9.474  -1.042
  215    HD3  LYS  35           HD1      LYS  35   7.823  10.244   0.283
  216    HE2  LYS  35           HE2      LYS  35   8.890  12.019  -0.788
  217    HE3  LYS  35           HE1      LYS  35   9.932  11.667   0.590
  218    HZ1  LYS  35           HZ1      LYS  35  11.590  10.952  -0.733
  219    HZ2  LYS  35           HZ2      LYS  35  10.832  11.923  -1.892
  220    HZ3  LYS  35           HZ3      LYS  35  10.552  10.255  -1.874
  221    H    LEU  36           HN       LEU  36   7.073   7.323   2.191
  222    HA   LEU  36           HA       LEU  36   6.529   6.161   4.682
  223    HB2  LEU  36           HB2      LEU  36   6.247   4.116   3.565
  224    HB3  LEU  36           HB1      LEU  36   5.809   5.340   2.394
  225    HG   LEU  36           HG       LEU  36   8.398   3.802   2.469
  226   HD11  LEU  36          HD11      LEU  36   5.950   2.999   1.538
  227   HD12  LEU  36          HD12      LEU  36   7.509   2.395   0.973
  228   HD13  LEU  36          HD13      LEU  36   6.696   3.691   0.096
  229   HD21  LEU  36          HD21      LEU  36   7.442   5.925   0.550
  230   HD22  LEU  36          HD22      LEU  36   8.898   4.949   0.361
  231   HD23  LEU  36          HD23      LEU  36   8.766   6.084   1.704
  232    H    THR  37           HN       THR  37   7.827   5.523   6.271
  233    HA   THR  37           HA       THR  37  10.584   5.822   6.200
  234    HB   THR  37           HB       THR  37  10.534   4.381   8.311
  235    HG1  THR  37           HG1      THR  37   8.644   3.233   7.871
  236   HG21  THR  37          HG21      THR  37   9.219   6.075   9.595
  237   HG22  THR  37          HG22      THR  37   8.832   6.836   8.050
  238   HG23  THR  37          HG23      THR  37  10.511   6.720   8.583
  239    HA   PRO  38           HA       PRO  38  12.582   2.419   4.285
  240    HB2  PRO  38           HB2      PRO  38  14.030   2.242   6.900
  241    HB3  PRO  38           HB1      PRO  38  14.683   2.235   5.256
  242    HG2  PRO  38           HG2      PRO  38  14.828   4.431   6.718
  243    HG3  PRO  38           HG1      PRO  38  14.392   4.536   5.001
  244    HD2  PRO  38           HD2      PRO  38  12.660   4.786   7.415
  245    HD3  PRO  38           HD1      PRO  38  12.552   5.625   5.855
  246    H    GLY  39           HN       GLY  39  12.518   0.198   4.234
  247    HA2  GLY  39           HA2      GLY  39  12.206  -1.967   5.115
  248    HA3  GLY  39           HA1      GLY  39  11.584  -1.251   6.594
  249    H    SER  40           HN       SER  40   9.711   0.509   5.254
  250    HA   SER  40           HA       SER  40   7.597  -1.428   4.842
  251    HB2  SER  40           HB2      SER  40   7.067   0.454   6.251
  252    HB3  SER  40           HB1      SER  40   7.588   1.593   5.010
  253    HG   SER  40           HG       SER  40   5.484  -0.251   4.590
  254    H    GLN  41           HN       GLN  41   7.026  -2.158   2.909
  255    HA   GLN  41           HA       GLN  41   8.135  -1.082   0.507
  256    HB2  GLN  41           HB2      GLN  41   5.979  -3.162   0.924
  257    HB3  GLN  41           HB1      GLN  41   6.731  -2.793  -0.622
  258    HG2  GLN  41           HG2      GLN  41   8.584  -3.454   1.563
  259    HG3  GLN  41           HG1      GLN  41   7.534  -4.764   1.025
  260   HE21  GLN  41          HE21      GLN  41   8.700  -6.030  -0.236
  261   HE22  GLN  41          HE22      GLN  41   9.708  -5.511  -1.540
  262    H    CYS  42           HN       CYS  42   5.051  -0.876   2.149
  263    HA   CYS  42           HA       CYS  42   4.339   1.512   0.800
  264    HB2  CYS  42           HB2      CYS  42   2.449   0.796  -0.479
  265    HB3  CYS  42           HB1      CYS  42   3.815  -0.198  -0.969
  266    H    ASN  43           HN       ASN  43   2.244   2.345   1.513
  267    HA   ASN  43           HA       ASN  43   1.478   1.214   4.119
  268    HB2  ASN  43           HB2      ASN  43   2.547   3.496   4.149
  269    HB3  ASN  43           HB1      ASN  43   1.153   4.091   3.253
  270   HD21  ASN  43          HD21      ASN  43  -0.952   3.843   4.260
  271   HD22  ASN  43          HD22      ASN  43  -1.072   3.915   5.982
  272    H    TYR  44           HN       TYR  44   0.409   2.326   1.014
  273    HA   TYR  44           HA       TYR  44  -2.244   1.250   1.569
  274    HB2  TYR  44           HB2      TYR  44  -3.437   3.148   1.181
  275    HB3  TYR  44           HB1      TYR  44  -1.964   3.924   1.743
  276    HD1  TYR  44           HD2      TYR  44  -3.526   2.711  -1.439
  277    HD2  TYR  44           HD1      TYR  44  -1.068   5.629   0.452
  278    HE1  TYR  44           HE2      TYR  44  -3.397   3.963  -3.548
  279    HE2  TYR  44           HE1      TYR  44  -0.935   6.886  -1.654
  280    HH   TYR  44           HH       TYR  44  -2.892   6.709  -4.032
  281    H    GLY  45           HN       GLY  45  -3.133   0.176  -0.131
  282    HA2  GLY  45           HA2      GLY  45  -2.979   0.495  -2.785
  283    HA3  GLY  45           HA1      GLY  45  -1.414  -0.226  -2.437
  284    H    GLU  46           HN       GLU  46  -3.036  -1.543  -4.124
  285    HA   GLU  46           HA       GLU  46  -4.836  -3.371  -2.970
  286    HB2  GLU  46           HB2      GLU  46  -3.365  -3.156  -5.542
  287    HB3  GLU  46           HB1      GLU  46  -3.997  -4.742  -5.118
  288    HG2  GLU  46           HG2      GLU  46  -5.524  -3.423  -6.533
  289    HG3  GLU  46           HG1      GLU  46  -6.230  -3.886  -4.985
  290    H    CYS  47           HN       CYS  47  -1.374  -3.543  -3.601
  291    HA   CYS  47           HA       CYS  47  -1.234  -6.194  -2.373
  292    HB2  CYS  47           HB2      CYS  47   0.489  -4.604  -4.187
  293    HB3  CYS  47           HB1      CYS  47   1.314  -5.675  -3.063
  294    H    CYS  48           HN       CYS  48  -1.762  -3.728  -0.812
  295    HA   CYS  48           HA       CYS  48   0.704  -3.485   0.737
  296    HB2  CYS  48           HB2      CYS  48  -1.218  -1.629  -0.050
  297    HB3  CYS  48           HB1      CYS  48  -1.524  -1.867   1.666
  298    H    ASP  49           HN       ASP  49   0.971  -4.376   2.668
  299    HA   ASP  49           HA       ASP  49  -1.273  -5.034   4.359
  300    HB2  ASP  49           HB2      ASP  49  -1.075  -6.976   2.772
  301    HB3  ASP  49           HB1      ASP  49   0.534  -7.271   3.426
  302    H    GLN  50           HN       GLN  50  -0.514  -3.989   6.092
  303    HA   GLN  50           HA       GLN  50   0.825  -3.360   7.825
  304    HB2  GLN  50           HB2      GLN  50   1.553  -6.259   7.476
  305    HB3  GLN  50           HB1      GLN  50   2.222  -5.285   8.778
  306    HG2  GLN  50           HG2      GLN  50  -0.340  -4.739   9.176
  307    HG3  GLN  50           HG1      GLN  50  -0.531  -6.303   8.385
  308   HE21  GLN  50          HE21      GLN  50   0.734  -4.625  11.159
  309   HE22  GLN  50          HE22      GLN  50   0.966  -6.021  12.150
  310    H    CYS  51           HN       CYS  51   1.890  -2.019   6.025
  311    HA   CYS  51           HA       CYS  51   3.746  -1.164   5.007
  312    HB2  CYS  51           HB2      CYS  51   5.114  -2.311   7.447
  313    HB3  CYS  51           HB1      CYS  51   5.708  -0.997   6.437
  314    H    ARG  52           HN       ARG  52   3.088  -3.988   4.355
  315    HA   ARG  52           HA       ARG  52   5.629  -4.629   3.087
  316    HB2  ARG  52           HB2      ARG  52   4.129  -6.609   4.811
  317    HB3  ARG  52           HB1      ARG  52   5.485  -7.008   3.766
  318    HG2  ARG  52           HG2      ARG  52   5.613  -5.082   6.076
  319    HG3  ARG  52           HG1      ARG  52   6.108  -6.774   6.141
  320    HD2  ARG  52           HD2      ARG  52   7.261  -4.740   4.240
  321    HD3  ARG  52           HD1      ARG  52   7.983  -5.165   5.791
  322    HE   ARG  52           HE       ARG  52   8.152  -6.645   3.368
  323   HH11  ARG  52          HH11      ARG  52   7.990  -7.003   6.836
  324   HH12  ARG  52          HH12      ARG  52   8.815  -8.525   6.843
  325   HH21  ARG  52          HH21      ARG  52   9.237  -8.647   3.375
  326   HH22  ARG  52          HH22      ARG  52   9.524  -9.459   4.878
  327    H    PHE  53           HN       PHE  53   5.424  -5.924   1.216
  328    HA   PHE  53           HA       PHE  53   2.897  -5.649  -0.095
  329    HB2  PHE  53           HB2      PHE  53   5.540  -6.827  -0.919
  330    HB3  PHE  53           HB1      PHE  53   4.113  -6.988  -1.938
  331    HD1  PHE  53           HD1      PHE  53   2.992  -4.199  -1.163
  332    HD2  PHE  53           HD2      PHE  53   6.791  -5.559  -2.510
  333    HE1  PHE  53           HE1      PHE  53   3.424  -1.998  -2.132
  334    HE2  PHE  53           HE2      PHE  53   7.237  -3.344  -3.484
  335    HZ   PHE  53           HZ       PHE  53   5.552  -1.556  -3.297
  336    H    LYS  54           HN       LYS  54   1.415  -7.175  -0.644
  337    HA   LYS  54           HA       LYS  54   1.156  -9.430   1.027
  338    HB2  LYS  54           HB2      LYS  54  -0.198  -9.049  -1.646
  339    HB3  LYS  54           HB1      LYS  54  -0.770 -10.008  -0.287
  340    HG2  LYS  54           HG2      LYS  54  -0.673  -7.684   0.949
  341    HG3  LYS  54           HG1      LYS  54  -0.826  -7.072  -0.697
  342    HD2  LYS  54           HD2      LYS  54  -3.029  -7.337  -0.429
  343    HD3  LYS  54           HD1      LYS  54  -2.721  -9.065  -0.599
  344    HE2  LYS  54           HE2      LYS  54  -2.829  -7.510   1.983
  345    HE3  LYS  54           HE1      LYS  54  -4.058  -8.622   1.384
  346    HZ1  LYS  54           HZ1      LYS  54  -1.407  -9.754   1.576
  347    HZ2  LYS  54           HZ2      LYS  54  -2.895 -10.392   2.063
  348    HZ3  LYS  54           HZ3      LYS  54  -2.078  -9.300   3.062
  349    H    LYS  55           HN       LYS  55   2.516 -11.101   0.987
  350    HA   LYS  55           HA       LYS  55   4.349 -11.896  -0.782
  351    HB2  LYS  55           HB2      LYS  55   3.944 -13.033   1.357
  352    HB3  LYS  55           HB1      LYS  55   2.506 -13.790   0.686
  353    HG2  LYS  55           HG2      LYS  55   3.933 -14.927  -0.983
  354    HG3  LYS  55           HG1      LYS  55   5.351 -14.238  -0.189
  355    HD2  LYS  55           HD2      LYS  55   5.121 -15.568   1.673
  356    HD3  LYS  55           HD1      LYS  55   3.382 -15.764   1.449
  357    HE2  LYS  55           HE2      LYS  55   3.800 -17.220  -0.476
  358    HE3  LYS  55           HE1      LYS  55   5.537 -17.025  -0.244
  359    HZ1  LYS  55           HZ1      LYS  55   4.896 -19.068   0.744
  360    HZ2  LYS  55           HZ2      LYS  55   3.618 -18.351   1.588
  361    HZ3  LYS  55           HZ3      LYS  55   5.216 -17.994   2.012
  362    H    ALA  56           HN       ALA  56   4.474 -12.589  -2.812
  363    HA   ALA  56           HA       ALA  56   2.542 -12.519  -4.678
  364    HB1  ALA  56           HB1      ALA  56   5.016 -14.144  -4.475
  365    HB2  ALA  56           HB2      ALA  56   4.566 -12.904  -5.646
  366    HB3  ALA  56           HB3      ALA  56   3.878 -14.524  -5.769
  367    H    GLY  57           HN       GLY  57   0.713 -13.543  -5.108
  368    HA2  GLY  57           HA2      GLY  57  -0.378 -15.735  -5.453
  369    HA3  GLY  57           HA1      GLY  57   0.337 -16.232  -3.924
  370    H    THR  58           HN       THR  58  -0.388 -13.189  -3.250
  371    HA   THR  58           HA       THR  58  -2.846 -13.896  -1.911
  372    HB   THR  58           HB       THR  58  -1.460 -11.208  -2.044
  373    HG1  THR  58           HG1      THR  58   0.020 -12.475  -1.110
  374   HG21  THR  58          HG21      THR  58  -3.663 -10.970  -1.173
  375   HG22  THR  58          HG22      THR  58  -2.518 -10.875   0.167
  376   HG23  THR  58          HG23      THR  58  -3.444 -12.355  -0.103
  377    H    VAL  59           HN       VAL  59  -4.625 -13.991  -3.183
  378    HA   VAL  59           HA       VAL  59  -4.988 -12.528  -5.551
  379    HB   VAL  59           HB       VAL  59  -6.255 -14.575  -5.109
  380   HG11  VAL  59          HG11      VAL  59  -7.594 -14.922  -3.336
  381   HG12  VAL  59          HG12      VAL  59  -8.224 -13.275  -3.358
  382   HG13  VAL  59          HG13      VAL  59  -6.660 -13.611  -2.616
  383   HG21  VAL  59          HG21      VAL  59  -8.471 -13.798  -5.858
  384   HG22  VAL  59          HG22      VAL  59  -7.152 -13.038  -6.748
  385   HG23  VAL  59          HG23      VAL  59  -7.994 -12.141  -5.484
  386    H    CYS  60           HN       CYS  60  -5.287 -10.414  -5.777
  387    HA   CYS  60           HA       CYS  60  -6.559  -8.929  -3.581
  388    HB2  CYS  60           HB2      CYS  60  -5.123  -7.659  -5.894
  389    HB3  CYS  60           HB1      CYS  60  -5.451  -6.984  -4.303
  390    H    ARG  61           HN       ARG  61  -6.924  -9.866  -6.885
  391    HA   ARG  61           HA       ARG  61  -9.586  -8.719  -6.944
  392    HB2  ARG  61           HB2      ARG  61  -7.808  -8.086  -9.275
  393    HB3  ARG  61           HB1      ARG  61  -9.328  -7.337  -8.808
  394    HG2  ARG  61           HG2      ARG  61  -8.178  -6.355  -6.843
  395    HG3  ARG  61           HG1      ARG  61  -6.659  -7.008  -7.458
  396    HD2  ARG  61           HD2      ARG  61  -8.434  -5.164  -9.045
  397    HD3  ARG  61           HD1      ARG  61  -7.123  -4.595  -8.015
  398    HE   ARG  61           HE       ARG  61  -6.433  -6.559 -10.046
  399   HH11  ARG  61          HH11      ARG  61  -6.513  -3.193  -9.109
  400   HH12  ARG  61          HH12      ARG  61  -5.320  -2.718 -10.268
  401   HH21  ARG  61          HH21      ARG  61  -4.869  -5.927 -11.570
  402   HH22  ARG  61          HH22      ARG  61  -4.388  -4.266 -11.665
  403    H    ILE  62           HN       ILE  62 -10.435  -9.121  -9.358
  404    HA   ILE  62           HA       ILE  62  -9.525 -11.360 -10.774
  405    HB   ILE  62           HB       ILE  62 -10.178 -12.730  -8.925
  406   HG12  ILE  62          HG12      ILE  62 -11.947 -14.127  -9.923
  407   HG13  ILE  62          HG11      ILE  62 -12.349 -12.822 -11.034
  408   HG21  ILE  62          HG21      ILE  62 -12.062 -12.504  -7.659
  409   HG22  ILE  62          HG22      ILE  62 -13.008 -11.839  -8.993
  410   HG23  ILE  62          HG23      ILE  62 -11.829 -10.828  -8.156
  411   HD11  ILE  62          HD11      ILE  62  -9.828 -13.041 -11.705
  412   HD12  ILE  62          HD12      ILE  62 -11.042 -14.140 -12.359
  413   HD13  ILE  62          HD13      ILE  62 -10.013 -14.656 -11.023
  414    H    ALA  63           HN       ALA  63 -10.467 -11.363 -12.713
  415    HA   ALA  63           HA       ALA  63 -12.105  -9.277 -13.510
  416    HB1  ALA  63           HB1      ALA  63 -12.532 -11.258 -15.411
  417    HB2  ALA  63           HB2      ALA  63 -10.931 -11.594 -14.749
  418    HB3  ALA  63           HB3      ALA  63 -11.289 -10.009 -15.430
  419    H    ARG  64           HN       ARG  64 -13.481 -12.385 -14.376
  420    HA   ARG  64           HA       ARG  64 -15.743 -11.934 -12.582
  421    HB2  ARG  64           HB2      ARG  64 -16.150 -12.362 -15.542
  422    HB3  ARG  64           HB1      ARG  64 -17.384 -12.040 -14.332
  423    HG2  ARG  64           HG2      ARG  64 -17.165  -9.986 -15.327
  424    HG3  ARG  64           HG1      ARG  64 -16.058  -9.832 -13.961
  425    HD2  ARG  64           HD2      ARG  64 -14.563  -9.178 -15.495
  426    HD3  ARG  64           HD1      ARG  64 -14.437 -10.893 -15.882
  427    HE   ARG  64           HE       ARG  64 -16.535  -9.572 -17.318
  428   HH11  ARG  64          HH11      ARG  64 -13.110 -10.241 -17.279
  429   HH12  ARG  64          HH12      ARG  64 -12.926 -10.051 -18.990
  430   HH21  ARG  64          HH21      ARG  64 -16.295  -9.323 -19.570
  431   HH22  ARG  64          HH22      ARG  64 -14.734  -9.530 -20.291
  432    H    GLY  65           HN       GLY  65 -15.012 -13.839 -11.516
  433    HA2  GLY  65           HA2      GLY  65 -16.082 -16.112 -11.467
  434    HA3  GLY  65           HA1      GLY  65 -15.424 -16.305 -13.087
  435    H    ASP  66           HN       ASP  66 -13.413 -17.058 -13.336
  436    HA   ASP  66           HA       ASP  66 -11.279 -16.736 -11.606
  437    HB2  ASP  66           HB2      ASP  66 -11.180 -19.103 -10.655
  438    HB3  ASP  66           HB1      ASP  66 -12.345 -18.008  -9.916
  439    H    TRP  67           HN       TRP  67 -10.205 -16.528 -13.522
  440    HA   TRP  67           HA       TRP  67  -9.755 -19.017 -15.040
  441    HB2  TRP  67           HB2      TRP  67  -8.984 -16.818 -16.642
  442    HB3  TRP  67           HB1      TRP  67 -10.346 -17.902 -16.896
  443    HD1  TRP  67           HD1      TRP  67  -9.640 -14.634 -14.879
  444    HE1  TRP  67           HE1      TRP  67 -11.777 -13.225 -14.938
  445    HE3  TRP  67           HE3      TRP  67 -12.653 -17.831 -17.479
  446    HZ2  TRP  67           HZ2      TRP  67 -14.387 -13.422 -15.952
  447    HZ3  TRP  67           HZ3      TRP  67 -14.969 -17.140 -17.962
  448    HH2  TRP  67           HH2      TRP  67 -15.817 -14.975 -17.213
  449    H    ASN  68           HN       ASN  68  -8.262 -15.843 -14.771
  450    HA   ASN  68           HA       ASN  68  -5.634 -17.106 -14.441
  451    HB2  ASN  68           HB2      ASN  68  -5.994 -14.180 -14.978
  452    HB3  ASN  68           HB1      ASN  68  -4.675 -15.245 -15.454
  453   HD21  ASN  68          HD21      ASN  68  -8.082 -14.531 -16.063
  454   HD22  ASN  68          HD22      ASN  68  -8.074 -15.024 -17.718
  455    H    ASP  69           HN       ASP  69  -7.937 -14.903 -13.033
  456    HA   ASP  69           HA       ASP  69  -8.143 -13.985 -10.970
  457    HB2  ASP  69           HB2      ASP  69  -6.298 -16.279 -10.452
  458    HB3  ASP  69           HB1      ASP  69  -6.614 -15.119  -9.166
  459    H    ASP  70           HN       ASP  70  -7.299 -12.348  -9.722
  460    HA   ASP  70           HA       ASP  70  -4.792 -11.242 -10.697
  461    HB2  ASP  70           HB2      ASP  70  -6.927  -9.863 -10.436
  462    HB3  ASP  70           HB1      ASP  70  -6.672  -9.989  -8.700
  463    H    TYR  71           HN       TYR  71  -2.931 -11.499  -9.628
  464    HA   TYR  71           HA       TYR  71  -3.086 -12.018  -6.739
  465    HB2  TYR  71           HB2      TYR  71  -1.727 -13.630  -8.853
  466    HB3  TYR  71           HB1      TYR  71  -1.096 -13.614  -7.206
  467    HD1  TYR  71           HD2      TYR  71  -2.688 -14.181  -5.341
  468    HD2  TYR  71           HD1      TYR  71  -3.522 -15.009  -9.410
  469    HE1  TYR  71           HE2      TYR  71  -4.348 -15.835  -4.634
  470    HE2  TYR  71           HE1      TYR  71  -5.209 -16.656  -8.744
  471    HH   TYR  71           HH       TYR  71  -6.678 -16.852  -6.150
  472    H    CYS  72           HN       CYS  72  -1.400 -11.429  -5.480
  473    HA   CYS  72           HA       CYS  72   0.107  -9.179  -6.350
  474    HB2  CYS  72           HB2      CYS  72  -0.763  -9.781  -3.972
  475    HB3  CYS  72           HB1      CYS  72   0.720 -10.723  -3.850
  476    H    THR  73           HN       THR  73   2.493  -9.046  -6.068
  477    HA   THR  73           HA       THR  73   3.789 -11.547  -6.925
  478    HB   THR  73           HB       THR  73   5.124 -10.365  -8.473
  479    HG1  THR  73           HG1      THR  73   5.050  -8.053  -8.558
  480   HG21  THR  73          HG21      THR  73   3.600  -9.848 -10.019
  481   HG22  THR  73          HG22      THR  73   2.816  -8.650  -8.988
  482   HG23  THR  73          HG23      THR  73   2.431 -10.363  -8.801
  483    H    GLY  74           HN       GLY  74   3.540  -9.579  -4.376
  484    HA2  GLY  74           HA2      GLY  74   4.851  -9.107  -2.559
  485    HA3  GLY  74           HA1      GLY  74   5.788 -10.513  -3.038
  486    H    LYS  75           HN       LYS  75   5.517  -7.833  -5.229
  487    HA   LYS  75           HA       LYS  75   8.092  -6.762  -4.361
  488    HB2  LYS  75           HB2      LYS  75   9.182  -7.050  -6.420
  489    HB3  LYS  75           HB1      LYS  75   8.401  -8.594  -6.113
  490    HG2  LYS  75           HG2      LYS  75   6.518  -7.165  -7.553
  491    HG3  LYS  75           HG1      LYS  75   8.055  -6.746  -8.310
  492    HD2  LYS  75           HD2      LYS  75   8.534  -9.262  -8.297
  493    HD3  LYS  75           HD1      LYS  75   6.813  -9.458  -7.961
  494    HE2  LYS  75           HE2      LYS  75   7.009  -9.637 -10.297
  495    HE3  LYS  75           HE1      LYS  75   6.406  -8.005 -10.007
  496    HZ1  LYS  75           HZ1      LYS  75   8.128  -7.873 -11.615
  497    HZ2  LYS  75           HZ2      LYS  75   9.185  -8.800 -10.675
  498    HZ3  LYS  75           HZ3      LYS  75   8.755  -7.242 -10.176
  499    H    SER  76           HN       SER  76   5.085  -5.983  -4.801
  500    HA   SER  76           HA       SER  76   5.600  -3.251  -5.334
  501    HB2  SER  76           HB2      SER  76   4.119  -3.157  -7.421
  502    HB3  SER  76           HB1      SER  76   5.756  -3.775  -7.635
  503    HG   SER  76           HG       SER  76   4.462  -5.218  -8.650
  504    H    SER  77           HN       SER  77   3.580  -1.952  -5.405
  505    HA   SER  77           HA       SER  77   1.632  -3.094  -3.567
  506    HB2  SER  77           HB2      SER  77   1.052  -0.915  -3.007
  507    HB3  SER  77           HB1      SER  77   2.746  -0.716  -3.452
  508    HG   SER  77           HG       SER  77   0.528   0.334  -4.603
  509    H    ASP  78           HN       ASP  78   1.900  -3.444  -6.692
  510    HA   ASP  78           HA       ASP  78  -0.942  -2.926  -7.267
  511    HB2  ASP  78           HB2      ASP  78   1.488  -2.938  -9.042
  512    HB3  ASP  78           HB1      ASP  78  -0.121  -3.186  -9.714
  513    H    CYS  79           HN       CYS  79  -2.227  -4.600  -7.720
  514    HA   CYS  79           HA       CYS  79  -1.002  -7.272  -7.854
  515    HB2  CYS  79           HB2      CYS  79  -3.048  -6.261  -6.248
  516    HB3  CYS  79           HB1      CYS  79  -3.879  -7.244  -7.450
  517    HA   PRO  80           HA       PRO  80  -2.380  -6.921 -12.180
  518    HB2  PRO  80           HB2      PRO  80  -0.971  -9.063 -13.069
  519    HB3  PRO  80           HB1      PRO  80  -0.241  -7.474 -12.815
  520    HG2  PRO  80           HG2      PRO  80  -0.213  -9.878 -11.027
  521    HG3  PRO  80           HG1      PRO  80   1.119  -8.787 -11.453
  522    HD2  PRO  80           HD2      PRO  80  -0.215  -8.580  -9.117
  523    HD3  PRO  80           HD1      PRO  80   0.432  -7.161  -9.964
  524    H    TRP  81           HN       TRP  81  -4.042  -7.884 -13.221
  525    HA   TRP  81           HA       TRP  81  -5.607  -9.849 -11.902
  526    HB2  TRP  81           HB2      TRP  81  -6.162  -9.574 -14.760
  527    HB3  TRP  81           HB1      TRP  81  -7.225  -9.336 -13.382
  528    HD1  TRP  81           HD1      TRP  81  -4.804  -7.421 -15.662
  529    HE1  TRP  81           HE1      TRP  81  -5.293  -4.905 -15.412
  530    HE3  TRP  81           HE3      TRP  81  -8.119  -7.644 -11.811
  531    HZ2  TRP  81           HZ2      TRP  81  -6.891  -3.241 -13.787
  532    HZ3  TRP  81           HZ3      TRP  81  -9.101  -5.548 -10.958
  533    HH2  TRP  81           HH2      TRP  81  -8.493  -3.388 -11.928
  534    H    ASN  82           HN       ASN  82  -3.008 -10.058 -14.074
  535    HA   ASN  82           HA       ASN  82  -1.846 -11.882 -14.846
  536    HB2  ASN  82           HB2      ASN  82  -2.890 -13.040 -12.770
  537    HB3  ASN  82           HB1      ASN  82  -4.046 -13.715 -13.914
  538   HD21  ASN  82          HD21      ASN  82  -1.738 -14.787 -12.230
  539   HD22  ASN  82          HD22      ASN  82  -0.842 -15.761 -13.342
  540    H    HIS  83           HN       HIS  83  -4.036 -10.378 -16.160
  541    HA   HIS  83           HA       HIS  83  -5.076 -12.340 -18.064
  542    HB2  HIS  83           HB2      HIS  83  -5.752  -9.408 -17.710
  543    HB3  HIS  83           HB1      HIS  83  -6.564 -10.528 -18.803
  544    HD1  HIS  83           HD1      HIS  83  -8.003  -8.999 -16.457
  545    HD2  HIS  83           HD2      HIS  83  -6.618 -12.911 -16.308
  546    HE1  HIS  83           HE1      HIS  83  -9.325 -10.115 -14.631
  547    HE2  HIS  83           HE2      HIS  83  -8.417 -12.458 -14.508
  Start of MODEL   28
    1    H1   SER   1           HT1      SER   1  -4.567  15.042  20.517
    2    H2   SER   1           HT2      SER   1  -4.597  16.432  19.510
    3    H3   SER   1           HT3      SER   1  -3.415  16.291  20.747
    4    HA   SER   1           HA       SER   1  -2.544  14.330  19.623
    5    HB2  SER   1           HB2      SER   1  -4.503  15.245  17.501
    6    HB3  SER   1           HB1      SER   1  -3.253  14.025  17.254
    7    HG   SER   1           HG       SER   1  -4.275  12.707  18.733
    8    HA   PRO   2           HA       PRO   2   0.356  17.177  17.909
    9    HB2  PRO   2           HB2      PRO   2   1.280  15.370  15.842
   10    HB3  PRO   2           HB1      PRO   2   2.056  15.789  17.369
   11    HG2  PRO   2           HG2      PRO   2   1.023  13.319  16.827
   12    HG3  PRO   2           HG1      PRO   2   1.170  13.988  18.462
   13    HD2  PRO   2           HD2      PRO   2  -1.234  13.830  16.684
   14    HD3  PRO   2           HD1      PRO   2  -1.108  13.568  18.437
   15    HA   PRO   3           HA       PRO   3  -1.044  19.090  14.185
   16    HB2  PRO   3           HB2      PRO   3   1.172  20.157  13.109
   17    HB3  PRO   3           HB1      PRO   3   0.513  20.733  14.645
   18    HG2  PRO   3           HG2      PRO   3   2.798  18.866  14.146
   19    HG3  PRO   3           HG1      PRO   3   2.674  20.196  15.312
   20    HD2  PRO   3           HD2      PRO   3   2.306  17.564  15.966
   21    HD3  PRO   3           HD1      PRO   3   1.550  18.910  16.841
   22    H    VAL   4           HN       VAL   4  -1.713  18.339  12.282
   23    HA   VAL   4           HA       VAL   4  -0.770  16.052  11.103
   24    HB   VAL   4           HB       VAL   4  -3.032  17.036  10.861
   25   HG11  VAL   4          HG11      VAL   4  -1.979  18.831   8.720
   26   HG12  VAL   4          HG12      VAL   4  -2.004  19.369  10.398
   27   HG13  VAL   4          HG13      VAL   4  -3.506  18.905   9.598
   28   HG21  VAL   4          HG21      VAL   4  -2.467  15.288   9.386
   29   HG22  VAL   4          HG22      VAL   4  -1.516  16.369   8.364
   30   HG23  VAL   4          HG23      VAL   4  -3.266  16.536   8.441
   31    H    CYS   5           HN       CYS   5   1.437  16.191  10.806
   32    HA   CYS   5           HA       CYS   5   2.710  18.326   9.438
   33    HB2  CYS   5           HB2      CYS   5   4.128  15.778   9.207
   34    HB3  CYS   5           HB1      CYS   5   4.634  17.272   9.975
   35    H    GLY   6           HN       GLY   6   1.806  18.779   7.505
   36    HA2  GLY   6           HA2      GLY   6   1.996  18.544   5.151
   37    HA3  GLY   6           HA1      GLY   6   2.234  16.816   5.369
   38    H    ASN   7           HN       ASN   7  -0.305  18.101   7.250
   39    HA   ASN   7           HA       ASN   7  -2.565  17.869   7.206
   40    HB2  ASN   7           HB2      ASN   7  -1.876  18.558   4.396
   41    HB3  ASN   7           HB1      ASN   7  -3.475  17.863   4.653
   42   HD21  ASN   7          HD21      ASN   7  -4.859  18.915   6.222
   43   HD22  ASN   7          HD22      ASN   7  -4.728  20.622   6.454
   44    H    LYS   8           HN       LYS   8  -4.128  16.216   7.092
   45    HA   LYS   8           HA       LYS   8  -3.235  13.610   6.946
   46    HB2  LYS   8           HB2      LYS   8  -5.524  14.672   7.788
   47    HB3  LYS   8           HB1      LYS   8  -6.076  14.133   6.208
   48    HG2  LYS   8           HG2      LYS   8  -4.721  12.335   8.203
   49    HG3  LYS   8           HG1      LYS   8  -6.469  12.521   8.075
   50    HD2  LYS   8           HD2      LYS   8  -4.796  11.743   5.699
   51    HD3  LYS   8           HD1      LYS   8  -5.373  10.542   6.852
   52    HE2  LYS   8           HE2      LYS   8  -7.066  10.502   5.304
   53    HE3  LYS   8           HE1      LYS   8  -7.685  11.695   6.444
   54    HZ1  LYS   8           HZ1      LYS   8  -7.555  12.117   3.835
   55    HZ2  LYS   8           HZ2      LYS   8  -6.038  12.719   4.277
   56    HZ3  LYS   8           HZ3      LYS   8  -7.437  13.365   4.971
   57    H    ILE   9           HN       ILE   9  -2.357  12.620   5.264
   58    HA   ILE   9           HA       ILE   9  -2.547  13.410   2.618
   59    HB   ILE   9           HB       ILE   9  -1.919  11.162   1.899
   60   HG12  ILE   9          HG12      ILE   9  -3.269  10.289   4.150
   61   HG13  ILE   9          HG11      ILE   9  -2.276   9.303   3.083
   62   HG21  ILE   9          HG21      ILE   9  -0.244  12.746   2.698
   63   HG22  ILE   9          HG22      ILE   9   0.223  11.074   3.005
   64   HG23  ILE   9          HG23      ILE   9  -0.396  12.071   4.319
   65   HD11  ILE   9          HD11      ILE   9  -1.277  10.707   5.536
   66   HD12  ILE   9          HD12      ILE   9  -0.378   9.593   4.511
   67   HD13  ILE   9          HD13      ILE   9  -1.747   9.013   5.461
   68    H    LEU  10           HN       LEU  10  -4.069  13.422   1.153
   69    HA   LEU  10           HA       LEU  10  -6.571  12.094   1.741
   70    HB2  LEU  10           HB2      LEU  10  -7.379  13.376  -0.278
   71    HB3  LEU  10           HB1      LEU  10  -6.858  14.335   1.094
   72    HG   LEU  10           HG       LEU  10  -6.183  15.031  -1.320
   73   HD11  LEU  10          HD11      LEU  10  -4.828  16.460  -0.292
   74   HD12  LEU  10          HD12      LEU  10  -3.756  15.175   0.265
   75   HD13  LEU  10          HD13      LEU  10  -5.203  15.580   1.189
   76   HD21  LEU  10          HD21      LEU  10  -4.076  14.160  -2.096
   77   HD22  LEU  10          HD22      LEU  10  -5.238  12.843  -1.939
   78   HD23  LEU  10          HD23      LEU  10  -3.985  13.062  -0.719
   79    H    GLU  11           HN       GLU  11  -3.929  10.930   0.575
   80    HA   GLU  11           HA       GLU  11  -5.023   8.746  -0.740
   81    HB2  GLU  11           HB2      GLU  11  -4.549   9.140  -3.063
   82    HB3  GLU  11           HB1      GLU  11  -5.579  10.439  -2.484
   83    HG2  GLU  11           HG2      GLU  11  -4.110  11.922  -3.201
   84    HG3  GLU  11           HG1      GLU  11  -2.905  11.256  -2.097
   85    H    GLN  12           HN       GLN  12  -2.818   9.364   1.118
   86    HA   GLN  12           HA       GLN  12  -0.875   7.653  -0.092
   87    HB2  GLN  12           HB2      GLN  12   0.991   9.454   0.336
   88    HB3  GLN  12           HB1      GLN  12   0.136   9.368  -1.193
   89    HG2  GLN  12           HG2      GLN  12  -1.444  11.098   0.115
   90    HG3  GLN  12           HG1      GLN  12   0.099  11.441   0.900
   91   HE21  GLN  12          HE21      GLN  12  -1.564  13.033  -0.955
   92   HE22  GLN  12          HE22      GLN  12  -0.515  13.454  -2.261
   93    H    GLY  13           HN       GLY  13  -1.774   6.689   1.991
   94    HA2  GLY  13           HA2      GLY  13  -0.709   7.707   4.470
   95    HA3  GLY  13           HA1      GLY  13  -1.539   6.179   4.246
   96    H    GLU  14           HN       GLU  14   1.388   7.492   2.753
   97    HA   GLU  14           HA       GLU  14   3.432   6.319   4.077
   98    HB2  GLU  14           HB2      GLU  14   3.343   4.091   3.810
   99    HB3  GLU  14           HB1      GLU  14   1.822   4.253   2.951
  100    HG2  GLU  14           HG2      GLU  14   4.492   4.503   1.595
  101    HG3  GLU  14           HG1      GLU  14   3.633   2.975   1.771
  102    H    ASP  15           HN       ASP  15   1.940   7.054   1.047
  103    HA   ASP  15           HA       ASP  15   4.175   7.121  -0.623
  104    HB2  ASP  15           HB2      ASP  15   1.457   7.676  -0.834
  105    HB3  ASP  15           HB1      ASP  15   2.235   9.215  -1.195
  106    H    CYS  16           HN       CYS  16   2.647   9.783   1.212
  107    HA   CYS  16           HA       CYS  16   4.913  10.984   2.159
  108    HB2  CYS  16           HB2      CYS  16   5.868  11.378   0.069
  109    HB3  CYS  16           HB1      CYS  16   4.323  11.753  -0.680
  110    H    ASP  17           HN       ASP  17   4.582  13.167   2.944
  111    HA   ASP  17           HA       ASP  17   3.395  14.794   3.982
  112    HB2  ASP  17           HB2      ASP  17   1.802  14.293   1.509
  113    HB3  ASP  17           HB1      ASP  17   1.086  15.290   2.771
  114    H    CYS  18           HN       CYS  18   3.119  12.063   4.835
  115    HA   CYS  18           HA       CYS  18   0.799  10.915   5.346
  116    HB2  CYS  18           HB2      CYS  18   3.251  10.937   6.679
  117    HB3  CYS  18           HB1      CYS  18   2.053  11.257   7.931
  118    H    GLY  19           HN       GLY  19   1.749  13.950   6.926
  119    HA2  GLY  19           HA2      GLY  19   0.470  15.491   8.086
  120    HA3  GLY  19           HA1      GLY  19  -0.898  14.836   7.213
  121    H    SER  20           HN       SER  20  -1.665  12.636   8.075
  122    HA   SER  20           HA       SER  20  -2.640  12.970  10.614
  123    HB2  SER  20           HB2      SER  20  -3.512  10.836  10.467
  124    HB3  SER  20           HB1      SER  20  -3.241  11.230   8.771
  125    HG   SER  20           HG       SER  20  -1.263  10.071   8.910
  126    HA   PRO  21           HA       PRO  21   1.247  12.840  12.848
  127    HB2  PRO  21           HB2      PRO  21  -0.822  12.867  15.010
  128    HB3  PRO  21           HB1      PRO  21   0.661  13.817  14.862
  129    HG2  PRO  21           HG2      PRO  21  -1.695  14.916  14.305
  130    HG3  PRO  21           HG1      PRO  21  -0.272  15.277  13.309
  131    HD2  PRO  21           HD2      PRO  21  -2.609  13.526  12.709
  132    HD3  PRO  21           HD1      PRO  21  -1.641  14.517  11.604
  133    H    ALA  22           HN       ALA  22  -1.501  10.695  13.145
  134    HA   ALA  22           HA       ALA  22  -0.598   8.868  15.013
  135    HB1  ALA  22           HB1      ALA  22  -2.229   7.459  14.245
  136    HB2  ALA  22           HB2      ALA  22  -1.895   7.815  12.551
  137    HB3  ALA  22           HB3      ALA  22  -2.788   8.974  13.536
  138    H    ASN  23           HN       ASN  23   0.573   9.523  11.828
  139    HA   ASN  23           HA       ASN  23   2.372   7.202  11.987
  140    HB2  ASN  23           HB2      ASN  23   1.263   8.685   9.607
  141    HB3  ASN  23           HB1      ASN  23   2.632   7.584   9.481
  142   HD21  ASN  23          HD21      ASN  23   0.825   6.762   7.946
  143   HD22  ASN  23          HD22      ASN  23  -0.172   5.514   8.603
  144    H    CYS  24           HN       CYS  24   2.177  10.671  11.786
  145    HA   CYS  24           HA       CYS  24   4.670  11.322  10.768
  146    HB2  CYS  24           HB2      CYS  24   2.718  12.870  11.540
  147    HB3  CYS  24           HB1      CYS  24   3.553  12.862  13.091
  148    H    GLN  25           HN       GLN  25   6.278   9.948  11.385
  149    HA   GLN  25           HA       GLN  25   8.068   9.261  12.611
  150    HB2  GLN  25           HB2      GLN  25   7.265  11.222  14.755
  151    HB3  GLN  25           HB1      GLN  25   8.870  10.594  14.405
  152    HG2  GLN  25           HG2      GLN  25   9.059  11.893  12.447
  153    HG3  GLN  25           HG1      GLN  25   7.343  12.297  12.461
  154   HE21  GLN  25          HE21      GLN  25   9.842  13.943  12.507
  155   HE22  GLN  25          HE22      GLN  25   9.639  15.010  13.851
  156    H    ASP  26           HN       ASP  26   6.257   7.477  12.727
  157    HA   ASP  26           HA       ASP  26   6.479   6.286  15.286
  158    HB2  ASP  26           HB2      ASP  26   4.702   7.902  15.832
  159    HB3  ASP  26           HB1      ASP  26   3.714   7.254  14.527
  160    H    ARG  27           HN       ARG  27   3.846   6.175  12.885
  161    HA   ARG  27           HA       ARG  27   3.919   3.342  12.725
  162    HB2  ARG  27           HB2      ARG  27   2.072   5.212  12.084
  163    HB3  ARG  27           HB1      ARG  27   2.701   4.844  10.484
  164    HG2  ARG  27           HG2      ARG  27   1.074   3.280  10.557
  165    HG3  ARG  27           HG1      ARG  27   2.340   2.352  11.364
  166    HD2  ARG  27           HD2      ARG  27   0.647   2.057  12.863
  167    HD3  ARG  27           HD1      ARG  27   1.347   3.542  13.506
  168    HE   ARG  27           HE       ARG  27  -0.653   4.158  11.613
  169   HH11  ARG  27          HH11      ARG  27  -0.267   2.938  14.859
  170   HH12  ARG  27          HH12      ARG  27  -1.808   3.518  15.394
  171   HH21  ARG  27          HH21      ARG  27  -2.681   4.922  12.315
  172   HH22  ARG  27          HH22      ARG  27  -3.179   4.644  13.950
  173    H    CYS  28           HN       CYS  28   3.655   2.880   9.955
  174    HA   CYS  28           HA       CYS  28   6.434   2.710   9.231
  175    HB2  CYS  28           HB2      CYS  28   3.870   1.676   8.080
  176    HB3  CYS  28           HB1      CYS  28   5.337   1.648   7.108
  177    H    CYS  29           HN       CYS  29   4.351   5.209   8.978
  178    HA   CYS  29           HA       CYS  29   5.548   6.132   6.452
  179    HB2  CYS  29           HB2      CYS  29   3.249   5.817   5.977
  180    HB3  CYS  29           HB1      CYS  29   2.757   6.514   7.515
  181    H    ASN  30           HN       ASN  30   6.189   8.242   6.294
  182    HA   ASN  30           HA       ASN  30   6.487   9.633   8.868
  183    HB2  ASN  30           HB2      ASN  30   8.421   8.777   7.076
  184    HB3  ASN  30           HB1      ASN  30   8.269  10.503   6.763
  185   HD21  ASN  30          HD21      ASN  30   9.869   8.283   8.489
  186   HD22  ASN  30          HD22      ASN  30  10.374   9.244   9.836
  187    H    ALA  31           HN       ALA  31   5.191  11.241   9.060
  188    HA   ALA  31           HA       ALA  31   4.148  12.707   6.799
  189    HB1  ALA  31           HB1      ALA  31   3.499  12.397   9.607
  190    HB2  ALA  31           HB2      ALA  31   2.479  12.920   8.277
  191    HB3  ALA  31           HB3      ALA  31   3.480  14.088   9.122
  192    H    ALA  32           HN       ALA  32   6.958  12.689   8.565
  193    HA   ALA  32           HA       ALA  32   7.403  15.579   8.345
  194    HB1  ALA  32           HB1      ALA  32   7.848  14.648  10.515
  195    HB2  ALA  32           HB2      ALA  32   9.368  15.159   9.778
  196    HB3  ALA  32           HB3      ALA  32   8.938  13.447   9.818
  197    H    THR  33           HN       THR  33   8.764  12.465   7.280
  198    HA   THR  33           HA       THR  33  10.769  13.888   5.703
  199    HB   THR  33           HB       THR  33  11.407  11.489   5.026
  200    HG1  THR  33           HG1      THR  33  10.538   9.877   6.086
  201   HG21  THR  33          HG21      THR  33  12.783  11.171   6.886
  202   HG22  THR  33          HG22      THR  33  11.651  11.985   7.967
  203   HG23  THR  33          HG23      THR  33  12.564  12.918   6.781
  204    H    CYS  34           HN       CYS  34   7.612  13.038   5.312
  205    HA   CYS  34           HA       CYS  34   6.230  12.960   3.532
  206    HB2  CYS  34           HB2      CYS  34   7.061  14.901   2.601
  207    HB3  CYS  34           HB1      CYS  34   8.676  14.246   2.399
  208    H    LYS  35           HN       LYS  35   7.475  10.539   4.336
  209    HA   LYS  35           HA       LYS  35   6.862   8.947   2.098
  210    HB2  LYS  35           HB2      LYS  35   9.655   9.780   2.352
  211    HB3  LYS  35           HB1      LYS  35   9.438   8.039   2.229
  212    HG2  LYS  35           HG2      LYS  35   7.849   9.529   0.296
  213    HG3  LYS  35           HG1      LYS  35   9.587   9.788   0.127
  214    HD2  LYS  35           HD2      LYS  35   8.617   7.006   0.502
  215    HD3  LYS  35           HD1      LYS  35   8.343   7.772  -1.064
  216    HE2  LYS  35           HE2      LYS  35  10.414   7.126  -1.586
  217    HE3  LYS  35           HE1      LYS  35  10.967   8.399  -0.499
  218    HZ1  LYS  35           HZ1      LYS  35  11.294   6.888   1.222
  219    HZ2  LYS  35           HZ2      LYS  35  11.863   6.060  -0.138
  220    HZ3  LYS  35           HZ3      LYS  35  10.341   5.690   0.501
  221    H    LEU  36           HN       LEU  36   6.741   6.793   2.554
  222    HA   LEU  36           HA       LEU  36   6.295   6.010   5.159
  223    HB2  LEU  36           HB2      LEU  36   6.167   3.771   4.378
  224    HB3  LEU  36           HB1      LEU  36   5.534   4.810   3.119
  225    HG   LEU  36           HG       LEU  36   8.200   3.406   3.160
  226   HD11  LEU  36          HD11      LEU  36   5.988   2.251   2.505
  227   HD12  LEU  36          HD12      LEU  36   7.378   2.099   1.429
  228   HD13  LEU  36          HD13      LEU  36   6.088   3.239   1.048
  229   HD21  LEU  36          HD21      LEU  36   7.153   5.455   1.207
  230   HD22  LEU  36          HD22      LEU  36   8.563   4.430   0.935
  231   HD23  LEU  36          HD23      LEU  36   8.570   5.608   2.247
  232    H    THR  37           HN       THR  37   7.516   5.397   6.816
  233    HA   THR  37           HA       THR  37  10.226   5.871   6.941
  234    HB   THR  37           HB       THR  37  10.135   4.373   9.011
  235    HG1  THR  37           HG1      THR  37   8.324   3.383   9.461
  236   HG21  THR  37          HG21      THR  37   8.304   5.920  10.068
  237   HG22  THR  37          HG22      THR  37   8.493   6.794   8.546
  238   HG23  THR  37          HG23      THR  37   9.885   6.548   9.603
  239    HA   PRO  38           HA       PRO  38  12.671   2.701   5.147
  240    HB2  PRO  38           HB2      PRO  38  13.756   2.405   7.925
  241    HB3  PRO  38           HB1      PRO  38  14.627   2.519   6.389
  242    HG2  PRO  38           HG2      PRO  38  14.466   4.630   7.976
  243    HG3  PRO  38           HG1      PRO  38  14.281   4.817   6.221
  244    HD2  PRO  38           HD2      PRO  38  12.215   4.901   8.364
  245    HD3  PRO  38           HD1      PRO  38  12.284   5.781   6.824
  246    H    GLY  39           HN       GLY  39  12.628   0.507   4.879
  247    HA2  GLY  39           HA2      GLY  39  12.291  -1.736   5.492
  248    HA3  GLY  39           HA1      GLY  39  11.587  -1.193   7.008
  249    H    SER  40           HN       SER  40   9.642   0.557   6.057
  250    HA   SER  40           HA       SER  40   7.571  -1.258   5.395
  251    HB2  SER  40           HB2      SER  40   6.108   0.607   5.504
  252    HB3  SER  40           HB1      SER  40   7.374   0.944   6.686
  253    HG   SER  40           HG       SER  40   7.985   2.601   5.544
  254    H    GLN  41           HN       GLN  41   7.293  -2.157   3.462
  255    HA   GLN  41           HA       GLN  41   8.408  -1.056   1.074
  256    HB2  GLN  41           HB2      GLN  41   6.329  -3.235   1.206
  257    HB3  GLN  41           HB1      GLN  41   7.548  -2.975  -0.034
  258    HG2  GLN  41           HG2      GLN  41   9.112  -3.305   2.145
  259    HG3  GLN  41           HG1      GLN  41   7.744  -4.338   2.557
  260   HE21  GLN  41          HE21      GLN  41  10.083  -3.654   0.003
  261   HE22  GLN  41          HE22      GLN  41  10.154  -5.267  -0.611
  262    H    CYS  42           HN       CYS  42   5.147  -1.318   2.412
  263    HA   CYS  42           HA       CYS  42   4.262   1.033   1.086
  264    HB2  CYS  42           HB2      CYS  42   4.199  -0.480  -0.844
  265    HB3  CYS  42           HB1      CYS  42   3.174  -1.593   0.056
  266    H    ASN  43           HN       ASN  43   2.158   1.678   1.738
  267    HA   ASN  43           HA       ASN  43   1.129   0.129   4.017
  268    HB2  ASN  43           HB2      ASN  43   2.142   2.571   4.249
  269    HB3  ASN  43           HB1      ASN  43   0.514   3.028   3.755
  270   HD21  ASN  43          HD21      ASN  43   2.157   3.100   6.338
  271   HD22  ASN  43          HD22      ASN  43   1.062   2.483   7.524
  272    H    TYR  44           HN       TYR  44   0.311   1.841   1.078
  273    HA   TYR  44           HA       TYR  44  -2.402   0.727   1.300
  274    HB2  TYR  44           HB2      TYR  44  -3.459   2.700   0.906
  275    HB3  TYR  44           HB1      TYR  44  -2.004   3.366   1.636
  276    HD1  TYR  44           HD2      TYR  44  -3.376   2.407  -1.710
  277    HD2  TYR  44           HD1      TYR  44  -0.841   5.014   0.505
  278    HE1  TYR  44           HE2      TYR  44  -2.972   3.727  -3.739
  279    HE2  TYR  44           HE1      TYR  44  -0.430   6.344  -1.525
  280    HH   TYR  44           HH       TYR  44  -0.671   5.521  -4.344
  281    H    GLY  45           HN       GLY  45  -3.170  -0.248  -0.482
  282    HA2  GLY  45           HA2      GLY  45  -2.932   0.160  -3.084
  283    HA3  GLY  45           HA1      GLY  45  -1.341  -0.498  -2.739
  284    H    GLU  46           HN       GLU  46  -2.831  -1.806  -4.515
  285    HA   GLU  46           HA       GLU  46  -4.583  -3.765  -3.522
  286    HB2  GLU  46           HB2      GLU  46  -2.978  -3.435  -6.017
  287    HB3  GLU  46           HB1      GLU  46  -3.728  -4.992  -5.696
  288    HG2  GLU  46           HG2      GLU  46  -5.550  -4.181  -6.659
  289    HG3  GLU  46           HG1      GLU  46  -5.758  -3.184  -5.221
  290    H    CYS  47           HN       CYS  47  -1.107  -3.600  -3.577
  291    HA   CYS  47           HA       CYS  47  -0.977  -6.386  -2.602
  292    HB2  CYS  47           HB2      CYS  47   0.777  -4.781  -4.372
  293    HB3  CYS  47           HB1      CYS  47   1.573  -5.888  -3.265
  294    H    CYS  48           HN       CYS  48  -1.150  -3.491  -1.261
  295    HA   CYS  48           HA       CYS  48   1.190  -3.760   0.470
  296    HB2  CYS  48           HB2      CYS  48  -0.838  -1.537   0.571
  297    HB3  CYS  48           HB1      CYS  48   0.828  -1.524   1.143
  298    H    ASP  49           HN       ASP  49   1.106  -4.449   2.502
  299    HA   ASP  49           HA       ASP  49  -1.339  -4.359   4.033
  300    HB2  ASP  49           HB2      ASP  49  -1.155  -6.550   2.523
  301    HB3  ASP  49           HB1      ASP  49  -0.155  -7.085   3.870
  302    H    GLN  50           HN       GLN  50  -0.473  -3.338   5.728
  303    HA   GLN  50           HA       GLN  50   0.802  -2.893   7.558
  304    HB2  GLN  50           HB2      GLN  50  -0.060  -5.376   7.867
  305    HB3  GLN  50           HB1      GLN  50   1.653  -5.747   7.730
  306    HG2  GLN  50           HG2      GLN  50   2.169  -4.783   9.718
  307    HG3  GLN  50           HG1      GLN  50   0.873  -3.593   9.604
  308   HE21  GLN  50          HE21      GLN  50  -0.006  -3.926  11.588
  309   HE22  GLN  50          HE22      GLN  50  -0.776  -5.397  12.064
  310    H    CYS  51           HN       CYS  51   2.188  -2.027   5.575
  311    HA   CYS  51           HA       CYS  51   4.255  -1.546   4.755
  312    HB2  CYS  51           HB2      CYS  51   5.690  -2.790   7.020
  313    HB3  CYS  51           HB1      CYS  51   5.826  -1.169   6.353
  314    H    ARG  52           HN       ARG  52   3.117  -4.349   4.362
  315    HA   ARG  52           HA       ARG  52   5.591  -5.473   3.283
  316    HB2  ARG  52           HB2      ARG  52   3.808  -6.770   5.296
  317    HB3  ARG  52           HB1      ARG  52   4.556  -7.777   4.064
  318    HG2  ARG  52           HG2      ARG  52   6.097  -5.930   5.870
  319    HG3  ARG  52           HG1      ARG  52   5.807  -7.635   6.218
  320    HD2  ARG  52           HD2      ARG  52   7.250  -8.349   4.614
  321    HD3  ARG  52           HD1      ARG  52   6.922  -6.978   3.556
  322    HE   ARG  52           HE       ARG  52   8.732  -5.938   4.459
  323   HH11  ARG  52          HH11      ARG  52   7.628  -8.352   6.724
  324   HH12  ARG  52          HH12      ARG  52   8.934  -8.091   7.831
  325   HH21  ARG  52          HH21      ARG  52  10.450  -5.593   5.914
  326   HH22  ARG  52          HH22      ARG  52  10.536  -6.524   7.372
  327    H    PHE  53           HN       PHE  53   5.342  -6.211   1.262
  328    HA   PHE  53           HA       PHE  53   2.914  -5.873  -0.106
  329    HB2  PHE  53           HB2      PHE  53   5.486  -7.251  -0.829
  330    HB3  PHE  53           HB1      PHE  53   4.101  -7.288  -1.916
  331    HD1  PHE  53           HD1      PHE  53   3.070  -4.506  -1.375
  332    HD2  PHE  53           HD2      PHE  53   6.993  -5.986  -2.107
  333    HE1  PHE  53           HE1      PHE  53   3.717  -2.322  -2.279
  334    HE2  PHE  53           HE2      PHE  53   7.650  -3.794  -3.013
  335    HZ   PHE  53           HZ       PHE  53   6.012  -1.957  -3.101
  336    H    LYS  54           HN       LYS  54   1.337  -7.277  -0.770
  337    HA   LYS  54           HA       LYS  54   0.763  -9.490   0.852
  338    HB2  LYS  54           HB2      LYS  54  -0.289  -8.650  -1.848
  339    HB3  LYS  54           HB1      LYS  54  -0.909 -10.054  -0.990
  340    HG2  LYS  54           HG2      LYS  54  -0.839  -7.354   0.303
  341    HG3  LYS  54           HG1      LYS  54  -2.163  -7.833  -0.762
  342    HD2  LYS  54           HD2      LYS  54  -2.212  -9.963   0.760
  343    HD3  LYS  54           HD1      LYS  54  -1.386  -8.912   1.911
  344    HE2  LYS  54           HE2      LYS  54  -3.213  -7.607   2.239
  345    HE3  LYS  54           HE1      LYS  54  -3.782  -7.801   0.581
  346    HZ1  LYS  54           HZ1      LYS  54  -4.059  -9.740   2.809
  347    HZ2  LYS  54           HZ2      LYS  54  -4.428 -10.106   1.199
  348    HZ3  LYS  54           HZ3      LYS  54  -5.298  -8.906   2.014
  349    H    LYS  55           HN       LYS  55   2.241 -11.097   0.960
  350    HA   LYS  55           HA       LYS  55   4.068 -12.086  -0.672
  351    HB2  LYS  55           HB2      LYS  55   3.502 -13.094   1.500
  352    HB3  LYS  55           HB1      LYS  55   2.084 -13.844   0.780
  353    HG2  LYS  55           HG2      LYS  55   3.469 -15.206  -0.643
  354    HG3  LYS  55           HG1      LYS  55   4.921 -14.384  -0.070
  355    HD2  LYS  55           HD2      LYS  55   3.938 -15.182   2.282
  356    HD3  LYS  55           HD1      LYS  55   3.245 -16.439   1.255
  357    HE2  LYS  55           HE2      LYS  55   6.101 -15.813   0.827
  358    HE3  LYS  55           HE1      LYS  55   5.692 -16.601   2.350
  359    HZ1  LYS  55           HZ1      LYS  55   6.135 -18.317   0.836
  360    HZ2  LYS  55           HZ2      LYS  55   5.230 -17.598  -0.398
  361    HZ3  LYS  55           HZ3      LYS  55   4.447 -18.265   0.944
  362    H    ALA  56           HN       ALA  56   4.270 -12.876  -2.661
  363    HA   ALA  56           HA       ALA  56   2.437 -12.839  -4.619
  364    HB1  ALA  56           HB1      ALA  56   4.506 -13.312  -5.449
  365    HB2  ALA  56           HB2      ALA  56   3.761 -14.906  -5.573
  366    HB3  ALA  56           HB3      ALA  56   4.840 -14.538  -4.226
  367    H    GLY  57           HN       GLY  57   0.661 -13.888  -5.196
  368    HA2  GLY  57           HA2      GLY  57  -0.466 -16.063  -5.478
  369    HA3  GLY  57           HA1      GLY  57   0.107 -16.477  -3.866
  370    H    THR  58           HN       THR  58  -0.537 -13.439  -3.338
  371    HA   THR  58           HA       THR  58  -3.128 -13.962  -2.205
  372    HB   THR  58           HB       THR  58  -1.519 -11.395  -2.336
  373    HG1  THR  58           HG1      THR  58  -1.746 -13.409  -0.353
  374   HG21  THR  58          HG21      THR  58  -3.118 -10.336  -1.243
  375   HG22  THR  58          HG22      THR  58  -3.314 -11.668  -0.101
  376   HG23  THR  58          HG23      THR  58  -4.179 -11.691  -1.640
  377    H    VAL  59           HN       VAL  59  -4.894 -13.933  -3.457
  378    HA   VAL  59           HA       VAL  59  -4.977 -12.605  -5.965
  379    HB   VAL  59           HB       VAL  59  -6.311 -14.622  -5.554
  380   HG11  VAL  59          HG11      VAL  59  -6.918 -13.555  -3.150
  381   HG12  VAL  59          HG12      VAL  59  -7.816 -14.873  -3.902
  382   HG13  VAL  59          HG13      VAL  59  -8.402 -13.215  -4.041
  383   HG21  VAL  59          HG21      VAL  59  -7.341 -12.154  -6.663
  384   HG22  VAL  59          HG22      VAL  59  -8.635 -13.218  -6.113
  385   HG23  VAL  59          HG23      VAL  59  -7.450 -13.801  -7.282
  386    H    CYS  60           HN       CYS  60  -5.223 -10.489  -6.278
  387    HA   CYS  60           HA       CYS  60  -6.602  -8.910  -4.224
  388    HB2  CYS  60           HB2      CYS  60  -4.961  -7.851  -6.519
  389    HB3  CYS  60           HB1      CYS  60  -5.485  -6.979  -5.084
  390    H    ARG  61           HN       ARG  61  -6.900 -10.023  -7.473
  391    HA   ARG  61           HA       ARG  61  -9.507  -8.762  -7.688
  392    HB2  ARG  61           HB2      ARG  61  -7.369  -7.469  -8.844
  393    HB3  ARG  61           HB1      ARG  61  -7.991  -8.429 -10.179
  394    HG2  ARG  61           HG2      ARG  61 -10.292  -7.432  -9.366
  395    HG3  ARG  61           HG1      ARG  61  -9.247  -6.174  -8.711
  396    HD2  ARG  61           HD2      ARG  61  -9.861  -6.874 -11.526
  397    HD3  ARG  61           HD1      ARG  61  -9.622  -5.297 -10.782
  398    HE   ARG  61           HE       ARG  61  -7.710  -6.740 -12.219
  399   HH11  ARG  61          HH11      ARG  61  -7.971  -4.894  -9.264
  400   HH12  ARG  61          HH12      ARG  61  -6.292  -4.475  -9.235
  401   HH21  ARG  61          HH21      ARG  61  -5.509  -6.186 -12.178
  402   HH22  ARG  61          HH22      ARG  61  -4.896  -5.204 -10.891
  403    H    ILE  62           HN       ILE  62 -10.338  -9.341 -10.082
  404    HA   ILE  62           HA       ILE  62  -9.522 -11.702 -11.315
  405    HB   ILE  62           HB       ILE  62 -10.158 -12.868  -9.296
  406   HG12  ILE  62          HG12      ILE  62 -11.920 -14.381 -10.216
  407   HG13  ILE  62          HG11      ILE  62 -12.174 -13.228 -11.522
  408   HG21  ILE  62          HG21      ILE  62 -13.008 -12.063  -9.560
  409   HG22  ILE  62          HG22      ILE  62 -11.882 -10.966  -8.757
  410   HG23  ILE  62          HG23      ILE  62 -12.114 -12.602  -8.137
  411   HD11  ILE  62          HD11      ILE  62  -9.756 -14.912 -10.972
  412   HD12  ILE  62          HD12      ILE  62  -9.727 -13.539 -12.078
  413   HD13  ILE  62          HD13      ILE  62 -10.794 -14.906 -12.398
  414    H    ALA  63           HN       ALA  63 -10.539 -11.874 -13.214
  415    HA   ALA  63           HA       ALA  63 -12.263  -9.823 -14.038
  416    HB1  ALA  63           HB1      ALA  63 -12.493 -11.926 -15.899
  417    HB2  ALA  63           HB2      ALA  63 -10.841 -11.950 -15.281
  418    HB3  ALA  63           HB3      ALA  63 -11.493 -10.479 -15.999
  419    H    ARG  64           HN       ARG  64 -13.382 -13.031 -14.887
  420    HA   ARG  64           HA       ARG  64 -15.675 -12.767 -13.102
  421    HB2  ARG  64           HB2      ARG  64 -15.761 -12.605 -16.073
  422    HB3  ARG  64           HB1      ARG  64 -17.044 -13.499 -15.269
  423    HG2  ARG  64           HG2      ARG  64 -16.299 -10.623 -14.782
  424    HG3  ARG  64           HG1      ARG  64 -17.718 -11.210 -15.652
  425    HD2  ARG  64           HD2      ARG  64 -18.010 -12.530 -13.323
  426    HD3  ARG  64           HD1      ARG  64 -17.181 -11.083 -12.752
  427    HE   ARG  64           HE       ARG  64 -19.884 -11.268 -13.578
  428   HH11  ARG  64          HH11      ARG  64 -17.123  -9.135 -13.674
  429   HH12  ARG  64          HH12      ARG  64 -18.081  -7.696 -13.772
  430   HH21  ARG  64          HH21      ARG  64 -21.145  -9.376 -13.707
  431   HH22  ARG  64          HH22      ARG  64 -20.364  -7.832 -13.790
  432    H    GLY  65           HN       GLY  65 -14.782 -14.607 -12.034
  433    HA2  GLY  65           HA2      GLY  65 -15.655 -16.963 -11.991
  434    HA3  GLY  65           HA1      GLY  65 -14.983 -17.095 -13.610
  435    H    ASP  66           HN       ASP  66 -12.937 -17.701 -13.857
  436    HA   ASP  66           HA       ASP  66 -10.820 -17.214 -12.137
  437    HB2  ASP  66           HB2      ASP  66 -10.527 -19.552 -11.185
  438    HB3  ASP  66           HB1      ASP  66 -11.805 -18.582 -10.458
  439    H    TRP  67           HN       TRP  67  -9.782 -16.909 -14.057
  440    HA   TRP  67           HA       TRP  67  -9.165 -19.339 -15.608
  441    HB2  TRP  67           HB2      TRP  67  -8.575 -17.100 -17.210
  442    HB3  TRP  67           HB1      TRP  67  -9.891 -18.245 -17.428
  443    HD1  TRP  67           HD1      TRP  67  -9.314 -14.979 -15.347
  444    HE1  TRP  67           HE1      TRP  67 -11.506 -13.666 -15.366
  445    HE3  TRP  67           HE3      TRP  67 -12.184 -18.234 -18.041
  446    HZ2  TRP  67           HZ2      TRP  67 -14.110 -13.946 -16.400
  447    HZ3  TRP  67           HZ3      TRP  67 -14.525 -17.629 -18.511
  448    HH2  TRP  67           HH2      TRP  67 -15.468 -15.525 -17.705
  449    H    ASN  68           HN       ASN  68  -7.901 -16.068 -15.320
  450    HA   ASN  68           HA       ASN  68  -5.186 -17.143 -15.007
  451    HB2  ASN  68           HB2      ASN  68  -5.772 -14.260 -15.577
  452    HB3  ASN  68           HB1      ASN  68  -4.359 -15.213 -16.012
  453   HD21  ASN  68          HD21      ASN  68  -7.821 -14.862 -16.687
  454   HD22  ASN  68          HD22      ASN  68  -7.724 -15.346 -18.341
  455    H    ASP  69           HN       ASP  69  -7.639 -15.098 -13.625
  456    HA   ASP  69           HA       ASP  69  -7.895 -14.151 -11.582
  457    HB2  ASP  69           HB2      ASP  69  -5.843 -16.253 -11.025
  458    HB3  ASP  69           HB1      ASP  69  -6.305 -15.113  -9.767
  459    H    ASP  70           HN       ASP  70  -6.864 -12.798  -9.943
  460    HA   ASP  70           HA       ASP  70  -4.498 -11.444 -11.033
  461    HB2  ASP  70           HB2      ASP  70  -6.563 -10.052 -10.951
  462    HB3  ASP  70           HB1      ASP  70  -6.634 -10.316  -9.216
  463    H    TYR  71           HN       TYR  71  -2.688 -11.753  -9.906
  464    HA   TYR  71           HA       TYR  71  -2.958 -12.220  -7.019
  465    HB2  TYR  71           HB2      TYR  71  -1.510 -13.878  -9.046
  466    HB3  TYR  71           HB1      TYR  71  -1.035 -13.889  -7.349
  467    HD1  TYR  71           HD2      TYR  71  -2.834 -14.389  -5.646
  468    HD2  TYR  71           HD1      TYR  71  -3.260 -15.237  -9.777
  469    HE1  TYR  71           HE2      TYR  71  -4.587 -16.003  -5.103
  470    HE2  TYR  71           HE1      TYR  71  -5.032 -16.855  -9.280
  471    HH   TYR  71           HH       TYR  71  -5.632 -18.327  -7.124
  472    H    CYS  72           HN       CYS  72  -1.377 -11.570  -5.708
  473    HA   CYS  72           HA       CYS  72   0.271  -9.422  -6.580
  474    HB2  CYS  72           HB2      CYS  72  -0.777  -9.824  -4.258
  475    HB3  CYS  72           HB1      CYS  72   0.594 -10.893  -3.975
  476    H    THR  73           HN       THR  73   2.641  -9.361  -6.180
  477    HA   THR  73           HA       THR  73   3.887 -11.957  -6.804
  478    HB   THR  73           HB       THR  73   5.350 -10.936  -8.340
  479    HG1  THR  73           HG1      THR  73   5.563  -8.699  -8.517
  480   HG21  THR  73          HG21      THR  73   3.145  -9.132  -9.046
  481   HG22  THR  73          HG22      THR  73   2.706 -10.830  -8.851
  482   HG23  THR  73          HG23      THR  73   3.960 -10.369 -10.004
  483    H    GLY  74           HN       GLY  74   3.602  -9.715  -4.445
  484    HA2  GLY  74           HA2      GLY  74   4.800  -9.249  -2.551
  485    HA3  GLY  74           HA1      GLY  74   5.732 -10.694  -2.911
  486    H    LYS  75           HN       LYS  75   5.661  -8.174  -5.279
  487    HA   LYS  75           HA       LYS  75   8.270  -7.190  -4.354
  488    HB2  LYS  75           HB2      LYS  75   7.664  -7.837  -7.238
  489    HB3  LYS  75           HB1      LYS  75   9.204  -7.326  -6.563
  490    HG2  LYS  75           HG2      LYS  75   9.776  -9.424  -6.160
  491    HG3  LYS  75           HG1      LYS  75   8.311  -9.685  -5.213
  492    HD2  LYS  75           HD2      LYS  75   7.996 -11.233  -6.869
  493    HD3  LYS  75           HD1      LYS  75   7.204  -9.836  -7.600
  494    HE2  LYS  75           HE2      LYS  75  10.110 -10.189  -8.088
  495    HE3  LYS  75           HE1      LYS  75   9.005 -11.295  -8.903
  496    HZ1  LYS  75           HZ1      LYS  75   8.392  -8.438  -9.012
  497    HZ2  LYS  75           HZ2      LYS  75   8.140  -9.642 -10.173
  498    HZ3  LYS  75           HZ3      LYS  75   9.686  -8.994  -9.950
  499    H    SER  76           HN       SER  76   5.226  -6.296  -4.898
  500    HA   SER  76           HA       SER  76   5.886  -3.549  -5.213
  501    HB2  SER  76           HB2      SER  76   6.148  -4.080  -7.545
  502    HB3  SER  76           HB1      SER  76   4.616  -4.953  -7.569
  503    HG   SER  76           HG       SER  76   5.093  -2.302  -7.866
  504    H    SER  77           HN       SER  77   3.839  -2.201  -5.531
  505    HA   SER  77           HA       SER  77   1.824  -3.238  -3.706
  506    HB2  SER  77           HB2      SER  77   0.937  -0.846  -3.901
  507    HB3  SER  77           HB1      SER  77   2.529  -1.035  -3.168
  508    HG   SER  77           HG       SER  77   1.868   0.404  -5.291
  509    H    ASP  78           HN       ASP  78   2.208  -3.763  -6.801
  510    HA   ASP  78           HA       ASP  78  -0.603  -3.258  -7.521
  511    HB2  ASP  78           HB2      ASP  78   1.907  -3.384  -9.158
  512    HB3  ASP  78           HB1      ASP  78   0.354  -3.746  -9.906
  513    H    CYS  79           HN       CYS  79  -1.851  -4.899  -8.340
  514    HA   CYS  79           HA       CYS  79  -0.730  -7.622  -8.112
  515    HB2  CYS  79           HB2      CYS  79  -2.934  -6.434  -6.777
  516    HB3  CYS  79           HB1      CYS  79  -3.590  -7.617  -7.903
  517    HA   PRO  80           HA       PRO  80  -1.805  -7.368 -12.540
  518    HB2  PRO  80           HB2      PRO  80  -0.561  -9.713 -13.199
  519    HB3  PRO  80           HB1      PRO  80   0.264  -8.154 -13.095
  520    HG2  PRO  80           HG2      PRO  80   0.137 -10.369 -11.086
  521    HG3  PRO  80           HG1      PRO  80   1.520  -9.365 -11.562
  522    HD2  PRO  80           HD2      PRO  80   0.144  -8.912  -9.292
  523    HD3  PRO  80           HD1      PRO  80   0.845  -7.588 -10.244
  524    H    TRP  81           HN       TRP  81  -3.665  -8.023 -13.335
  525    HA   TRP  81           HA       TRP  81  -4.962 -10.386 -12.230
  526    HB2  TRP  81           HB2      TRP  81  -7.050  -9.450 -13.126
  527    HB3  TRP  81           HB1      TRP  81  -6.247  -8.376 -11.993
  528    HD1  TRP  81           HD1      TRP  81  -4.190  -7.084 -14.230
  529    HE1  TRP  81           HE1      TRP  81  -5.179  -5.378 -15.865
  530    HE3  TRP  81           HE3      TRP  81  -9.074  -8.388 -13.839
  531    HZ2  TRP  81           HZ2      TRP  81  -7.732  -4.670 -16.850
  532    HZ3  TRP  81           HZ3      TRP  81 -10.756  -7.154 -15.156
  533    HH2  TRP  81           HH2      TRP  81 -10.090  -5.330 -16.639
  534    H    ASN  82           HN       ASN  82  -3.156  -9.716 -14.799
  535    HA   ASN  82           HA       ASN  82  -2.900 -10.510 -16.929
  536    HB2  ASN  82           HB2      ASN  82  -3.984 -12.967 -15.541
  537    HB3  ASN  82           HB1      ASN  82  -3.117 -12.967 -17.074
  538   HD21  ASN  82          HD21      ASN  82  -2.020 -14.524 -15.345
  539   HD22  ASN  82          HD22      ASN  82  -0.626 -13.834 -14.593
  540    H    HIS  83           HN       HIS  83  -5.325  -9.113 -16.702
  541    HA   HIS  83           HA       HIS  83  -6.932 -10.576 -18.679
  542    HB2  HIS  83           HB2      HIS  83  -8.115  -8.936 -16.433
  543    HB3  HIS  83           HB1      HIS  83  -8.998  -9.852 -17.649
  544    HD1  HIS  83           HD1      HIS  83  -8.834 -10.179 -14.371
  545    HD2  HIS  83           HD2      HIS  83  -7.341 -12.694 -17.318
  546    HE1  HIS  83           HE1      HIS  83  -8.621 -12.434 -13.284
  547    HE2  HIS  83           HE2      HIS  83  -7.614 -13.910 -15.055
  Start of MODEL   29
    1    H1   SER   1           HT1      SER   1  -7.481  16.178  17.145
    2    H2   SER   1           HT2      SER   1  -6.266  15.082  17.659
    3    H3   SER   1           HT3      SER   1  -5.963  16.153  16.353
    4    HA   SER   1           HA       SER   1  -6.694  17.820  18.313
    5    HB2  SER   1           HB2      SER   1  -5.517  15.336  19.439
    6    HB3  SER   1           HB1      SER   1  -4.880  16.856  20.066
    7    HG   SER   1           HG       SER   1  -7.327  15.685  20.452
    8    HA   PRO   2           HA       PRO   2  -1.963  18.205  17.611
    9    HB2  PRO   2           HB2      PRO   2  -0.606  16.154  16.494
   10    HB3  PRO   2           HB1      PRO   2  -0.903  16.256  18.234
   11    HG2  PRO   2           HG2      PRO   2  -2.349  14.659  16.155
   12    HG3  PRO   2           HG1      PRO   2  -1.841  14.177  17.784
   13    HD2  PRO   2           HD2      PRO   2  -4.385  14.929  17.181
   14    HD3  PRO   2           HD1      PRO   2  -3.656  15.174  18.780
   15    HA   PRO   3           HA       PRO   3  -2.349  19.427  13.367
   16    HB2  PRO   3           HB2      PRO   3   0.154  20.342  12.886
   17    HB3  PRO   3           HB1      PRO   3  -1.006  21.220  13.891
   18    HG2  PRO   3           HG2      PRO   3   1.255  19.442  14.721
   19    HG3  PRO   3           HG1      PRO   3   0.753  21.003  15.396
   20    HD2  PRO   3           HD2      PRO   3   0.112  18.639  16.553
   21    HD3  PRO   3           HD1      PRO   3  -0.947  20.062  16.637
   22    H    VAL   4           HN       VAL   4  -2.398  18.332  11.597
   23    HA   VAL   4           HA       VAL   4  -1.131  15.894  11.219
   24    HB   VAL   4           HB       VAL   4  -1.903  17.254   8.751
   25   HG11  VAL   4          HG11      VAL   4  -2.371  14.690  10.131
   26   HG12  VAL   4          HG12      VAL   4  -1.954  15.015   8.453
   27   HG13  VAL   4          HG13      VAL   4  -3.616  15.210   8.998
   28   HG21  VAL   4          HG21      VAL   4  -3.855  17.179  11.028
   29   HG22  VAL   4          HG22      VAL   4  -4.374  17.171   9.343
   30   HG23  VAL   4          HG23      VAL   4  -3.446  18.532   9.972
   31    H    CYS   5           HN       CYS   5   1.098  16.184  11.524
   32    HA   CYS   5           HA       CYS   5   2.566  18.153  10.114
   33    HB2  CYS   5           HB2      CYS   5   4.433  17.357  11.198
   34    HB3  CYS   5           HB1      CYS   5   3.182  16.739  12.260
   35    H    GLY   6           HN       GLY   6   2.240  18.168   8.009
   36    HA2  GLY   6           HA2      GLY   6   3.212  17.455   5.906
   37    HA3  GLY   6           HA1      GLY   6   3.089  15.796   6.478
   38    H    ASN   7           HN       ASN   7   0.398  17.709   7.295
   39    HA   ASN   7           HA       ASN   7  -1.771  17.754   6.611
   40    HB2  ASN   7           HB2      ASN   7  -0.282  17.610   4.027
   41    HB3  ASN   7           HB1      ASN   7  -2.025  17.358   3.998
   42   HD21  ASN   7          HD21      ASN   7  -3.087  19.059   5.654
   43   HD22  ASN   7          HD22      ASN   7  -2.666  20.694   5.288
   44    H    LYS   8           HN       LYS   8  -3.285  16.277   6.951
   45    HA   LYS   8           HA       LYS   8  -2.843  13.581   7.196
   46    HB2  LYS   8           HB2      LYS   8  -5.002  15.225   7.570
   47    HB3  LYS   8           HB1      LYS   8  -5.549  14.227   6.230
   48    HG2  LYS   8           HG2      LYS   8  -4.566  13.234   8.898
   49    HG3  LYS   8           HG1      LYS   8  -6.244  13.286   8.352
   50    HD2  LYS   8           HD2      LYS   8  -5.738  11.709   6.573
   51    HD3  LYS   8           HD1      LYS   8  -4.036  11.699   7.041
   52    HE2  LYS   8           HE2      LYS   8  -4.698   9.839   8.161
   53    HE3  LYS   8           HE1      LYS   8  -5.104  11.037   9.389
   54    HZ1  LYS   8           HZ1      LYS   8  -6.863   9.334   8.843
   55    HZ2  LYS   8           HZ2      LYS   8  -7.063  10.130   7.365
   56    HZ3  LYS   8           HZ3      LYS   8  -7.360  10.951   8.813
   57    H    ILE   9           HN       ILE   9  -1.866  12.422   5.620
   58    HA   ILE   9           HA       ILE   9  -2.041  12.847   2.905
   59    HB   ILE   9           HB       ILE   9  -1.366  10.584   2.469
   60   HG12  ILE   9          HG12      ILE   9  -2.658  10.054   4.998
   61   HG13  ILE   9          HG11      ILE   9  -2.203   8.947   3.708
   62   HG21  ILE   9          HG21      ILE   9   0.344  12.102   3.110
   63   HG22  ILE   9          HG22      ILE   9   0.688  10.540   3.850
   64   HG23  ILE   9          HG23      ILE   9   0.000  11.841   4.817
   65   HD11  ILE   9          HD11      ILE   9   0.147   9.070   4.703
   66   HD12  ILE   9          HD12      ILE   9  -1.084   8.147   5.565
   67   HD13  ILE   9          HD13      ILE   9  -0.643   9.760   6.121
   68    H    LEU  10           HN       LEU  10  -3.623  12.891   1.598
   69    HA   LEU  10           HA       LEU  10  -6.023  11.314   2.100
   70    HB2  LEU  10           HB2      LEU  10  -7.173  12.789   0.652
   71    HB3  LEU  10           HB1      LEU  10  -6.158  13.785   1.674
   72    HG   LEU  10           HG       LEU  10  -5.936  13.250  -1.263
   73   HD11  LEU  10          HD11      LEU  10  -5.730  15.643  -1.371
   74   HD12  LEU  10          HD12      LEU  10  -5.616  15.751   0.387
   75   HD13  LEU  10          HD13      LEU  10  -7.122  15.228  -0.370
   76   HD21  LEU  10          HD21      LEU  10  -3.714  12.691  -0.263
   77   HD22  LEU  10          HD22      LEU  10  -3.660  14.325   0.402
   78   HD23  LEU  10          HD23      LEU  10  -3.689  14.083  -1.344
   79    H    GLU  11           HN       GLU  11  -3.389  10.326   1.001
   80    HA   GLU  11           HA       GLU  11  -4.226   8.335  -0.669
   81    HB2  GLU  11           HB2      GLU  11  -3.326   9.241  -2.901
   82    HB3  GLU  11           HB1      GLU  11  -4.925   9.762  -2.388
   83    HG2  GLU  11           HG2      GLU  11  -4.283  11.903  -2.091
   84    HG3  GLU  11           HG1      GLU  11  -2.668  11.455  -1.540
   85    H    GLN  12           HN       GLN  12  -2.304   8.455   1.287
   86    HA   GLN  12           HA       GLN  12   0.081   7.779  -0.259
   87    HB2  GLN  12           HB2      GLN  12   0.092   9.610   2.129
   88    HB3  GLN  12           HB1      GLN  12   1.529   8.881   1.444
   89    HG2  GLN  12           HG2      GLN  12   1.650  10.812   0.316
   90    HG3  GLN  12           HG1      GLN  12   0.508  10.012  -0.762
   91   HE21  GLN  12          HE21      GLN  12   1.114  12.771   0.917
   92   HE22  GLN  12          HE22      GLN  12  -0.488  13.410   1.013
   93    H    GLY  13           HN       GLY  13  -0.991   7.918   3.124
   94    HA2  GLY  13           HA2      GLY  13  -1.000   6.326   4.786
   95    HA3  GLY  13           HA1      GLY  13  -1.006   5.119   3.507
   96    H    GLU  14           HN       GLU  14   1.501   7.404   3.420
   97    HA   GLU  14           HA       GLU  14   3.570   7.169   4.792
   98    HB2  GLU  14           HB2      GLU  14   4.758   5.090   4.765
   99    HB3  GLU  14           HB1      GLU  14   3.132   4.759   5.333
  100    HG2  GLU  14           HG2      GLU  14   2.516   3.819   3.223
  101    HG3  GLU  14           HG1      GLU  14   4.029   4.346   2.495
  102    H    ASP  15           HN       ASP  15   2.260   7.049   1.814
  103    HA   ASP  15           HA       ASP  15   4.396   6.731   0.061
  104    HB2  ASP  15           HB2      ASP  15   1.787   7.134  -0.273
  105    HB3  ASP  15           HB1      ASP  15   2.312   8.799  -0.480
  106    H    CYS  16           HN       CYS  16   3.214   9.584   1.799
  107    HA   CYS  16           HA       CYS  16   5.604  10.762   2.285
  108    HB2  CYS  16           HB2      CYS  16   6.370  11.193   0.192
  109    HB3  CYS  16           HB1      CYS  16   4.759  11.189  -0.512
  110    H    ASP  17           HN       ASP  17   5.181  12.141   3.820
  111    HA   ASP  17           HA       ASP  17   4.308  13.904   4.958
  112    HB2  ASP  17           HB2      ASP  17   3.497  14.449   2.321
  113    HB3  ASP  17           HB1      ASP  17   2.054  14.642   3.309
  114    H    CYS  18           HN       CYS  18   3.601  11.381   5.629
  115    HA   CYS  18           HA       CYS  18   1.151  10.398   5.774
  116    HB2  CYS  18           HB2      CYS  18   3.366  10.157   7.402
  117    HB3  CYS  18           HB1      CYS  18   2.118  10.721   8.515
  118    H    GLY  19           HN       GLY  19   2.127  13.338   7.466
  119    HA2  GLY  19           HA2      GLY  19   0.839  15.052   8.335
  120    HA3  GLY  19           HA1      GLY  19  -0.522  14.360   7.471
  121    H    SER  20           HN       SER  20  -1.205  12.127   8.498
  122    HA   SER  20           HA       SER  20  -2.369  12.676  10.915
  123    HB2  SER  20           HB2      SER  20  -3.083  10.446  10.983
  124    HB3  SER  20           HB1      SER  20  -2.849  10.759   9.264
  125    HG   SER  20           HG       SER  20  -0.834   9.722   9.409
  126    HA   PRO  21           HA       PRO  21   1.378  12.752  13.347
  127    HB2  PRO  21           HB2      PRO  21  -0.615  13.318  15.465
  128    HB3  PRO  21           HB1      PRO  21   0.857  14.195  15.034
  129    HG2  PRO  21           HG2      PRO  21  -1.556  15.156  14.394
  130    HG3  PRO  21           HG1      PRO  21  -0.168  15.341  13.307
  131    HD2  PRO  21           HD2      PRO  21  -2.468  13.443  13.134
  132    HD3  PRO  21           HD1      PRO  21  -1.616  14.293  11.831
  133    H    ALA  22           HN       ALA  22  -1.462  10.822  13.745
  134    HA   ALA  22           HA       ALA  22  -0.662   9.274  15.956
  135    HB1  ALA  22           HB1      ALA  22  -2.812   8.740  15.464
  136    HB2  ALA  22           HB2      ALA  22  -2.047   7.479  14.498
  137    HB3  ALA  22           HB3      ALA  22  -2.586   8.973  13.731
  138    H    ASN  23           HN       ASN  23   0.530   9.557  12.776
  139    HA   ASN  23           HA       ASN  23   2.356   7.310  13.211
  140    HB2  ASN  23           HB2      ASN  23   1.126   7.975  10.531
  141    HB3  ASN  23           HB1      ASN  23   2.154   6.598  10.923
  142   HD21  ASN  23          HD21      ASN  23   0.951   5.918  13.384
  143   HD22  ASN  23          HD22      ASN  23  -0.619   5.280  13.049
  144    H    CYS  24           HN       CYS  24   2.377  10.436  13.278
  145    HA   CYS  24           HA       CYS  24   4.048  11.297  11.181
  146    HB2  CYS  24           HB2      CYS  24   3.227  12.400  13.805
  147    HB3  CYS  24           HB1      CYS  24   4.747  13.010  13.167
  148    H    GLN  25           HN       GLN  25   5.570   9.586  10.983
  149    HA   GLN  25           HA       GLN  25   7.661   8.718  11.191
  150    HB2  GLN  25           HB2      GLN  25   7.934  11.345  12.024
  151    HB3  GLN  25           HB1      GLN  25   8.636  10.429  13.350
  152    HG2  GLN  25           HG2      GLN  25   9.532   9.433  10.793
  153    HG3  GLN  25           HG1      GLN  25   9.868  11.154  10.973
  154   HE21  GLN  25          HE21      GLN  25  11.573  11.748  12.139
  155   HE22  GLN  25          HE22      GLN  25  12.522  10.700  13.131
  156    H    ASP  26           HN       ASP  26   5.658   7.477  12.565
  157    HA   ASP  26           HA       ASP  26   7.106   6.442  14.894
  158    HB2  ASP  26           HB2      ASP  26   5.035   8.108  15.302
  159    HB3  ASP  26           HB1      ASP  26   4.154   6.590  15.151
  160    H    ARG  27           HN       ARG  27   3.972   5.847  13.282
  161    HA   ARG  27           HA       ARG  27   3.991   3.089  13.628
  162    HB2  ARG  27           HB2      ARG  27   1.963   4.252  13.031
  163    HB3  ARG  27           HB1      ARG  27   2.650   4.753  11.494
  164    HG2  ARG  27           HG2      ARG  27   1.761   2.951  10.566
  165    HG3  ARG  27           HG1      ARG  27   2.840   1.956  11.544
  166    HD2  ARG  27           HD2      ARG  27   0.335   2.992  12.777
  167    HD3  ARG  27           HD1      ARG  27   0.225   1.647  11.642
  168    HE   ARG  27           HE       ARG  27   2.171   0.855  13.341
  169   HH11  ARG  27          HH11      ARG  27  -1.077   2.038  13.826
  170   HH12  ARG  27          HH12      ARG  27  -1.321   1.136  15.284
  171   HH21  ARG  27          HH21      ARG  27   1.851  -0.332  15.258
  172   HH22  ARG  27          HH22      ARG  27   0.340  -0.209  16.097
  173    H    CYS  28           HN       CYS  28   4.062   4.234  10.293
  174    HA   CYS  28           HA       CYS  28   6.632   3.027   9.793
  175    HB2  CYS  28           HB2      CYS  28   5.937   1.292   8.343
  176    HB3  CYS  28           HB1      CYS  28   4.925   1.135   9.773
  177    H    CYS  29           HN       CYS  29   5.433   5.647   9.536
  178    HA   CYS  29           HA       CYS  29   6.020   6.074   6.696
  179    HB2  CYS  29           HB2      CYS  29   4.127   7.607   6.450
  180    HB3  CYS  29           HB1      CYS  29   3.583   5.975   6.825
  181    H    ASN  30           HN       ASN  30   6.384   8.298   6.151
  182    HA   ASN  30           HA       ASN  30   7.639   9.762   8.370
  183    HB2  ASN  30           HB2      ASN  30   8.415   9.310   5.525
  184    HB3  ASN  30           HB1      ASN  30   8.851  10.832   6.275
  185   HD21  ASN  30          HD21      ASN  30   9.305   9.919   8.871
  186   HD22  ASN  30          HD22      ASN  30  10.708   8.914   8.866
  187    H    ALA  31           HN       ALA  31   5.749  10.772   8.903
  188    HA   ALA  31           HA       ALA  31   4.225  12.355   7.097
  189    HB1  ALA  31           HB1      ALA  31   3.055  13.134   9.029
  190    HB2  ALA  31           HB2      ALA  31   4.409  12.719  10.075
  191    HB3  ALA  31           HB3      ALA  31   3.453  11.447   9.337
  192    H    ALA  32           HN       ALA  32   7.058  12.773   9.017
  193    HA   ALA  32           HA       ALA  32   7.180  15.637   8.358
  194    HB1  ALA  32           HB1      ALA  32   8.890  15.781  10.093
  195    HB2  ALA  32           HB2      ALA  32   8.783  14.038  10.348
  196    HB3  ALA  32           HB3      ALA  32   7.401  15.072  10.721
  197    H    THR  33           HN       THR  33   7.949  13.020   6.758
  198    HA   THR  33           HA       THR  33  10.461  14.149   5.770
  199    HB   THR  33           HB       THR  33  10.564  11.270   5.682
  200    HG1  THR  33           HG1      THR  33  10.293  12.468   8.240
  201   HG21  THR  33          HG21      THR  33  12.423  13.056   5.641
  202   HG22  THR  33          HG22      THR  33  12.693  11.514   6.453
  203   HG23  THR  33          HG23      THR  33  12.302  12.951   7.397
  204    H    CYS  34           HN       CYS  34   7.472  13.558   4.918
  205    HA   CYS  34           HA       CYS  34   6.361  12.981   3.019
  206    HB2  CYS  34           HB2      CYS  34   7.292  15.001   2.244
  207    HB3  CYS  34           HB1      CYS  34   8.870  14.270   1.986
  208    H    LYS  35           HN       LYS  35   7.268  10.645   3.991
  209    HA   LYS  35           HA       LYS  35   7.456   9.057   1.655
  210    HB2  LYS  35           HB2      LYS  35   9.945   9.968   2.732
  211    HB3  LYS  35           HB1      LYS  35   9.824   8.226   2.938
  212    HG2  LYS  35           HG2      LYS  35   8.980   9.075   0.297
  213    HG3  LYS  35           HG1      LYS  35  10.638   9.557   0.661
  214    HD2  LYS  35           HD2      LYS  35  10.036   6.829   1.491
  215    HD3  LYS  35           HD1      LYS  35   9.826   7.082  -0.243
  216    HE2  LYS  35           HE2      LYS  35  12.053   7.673  -0.552
  217    HE3  LYS  35           HE1      LYS  35  12.285   8.069   1.150
  218    HZ1  LYS  35           HZ1      LYS  35  12.681   5.929   1.687
  219    HZ2  LYS  35           HZ2      LYS  35  13.143   5.817   0.064
  220    HZ3  LYS  35           HZ3      LYS  35  11.603   5.306   0.541
  221    H    LEU  36           HN       LEU  36   8.247   6.712   2.362
  222    HA   LEU  36           HA       LEU  36   6.570   6.034   4.651
  223    HB2  LEU  36           HB2      LEU  36   7.854   3.752   3.427
  224    HB3  LEU  36           HB1      LEU  36   6.150   4.108   3.603
  225    HG   LEU  36           HG       LEU  36   6.608   5.686   1.528
  226   HD11  LEU  36          HD11      LEU  36   9.109   4.766   1.786
  227   HD12  LEU  36          HD12      LEU  36   8.406   5.236   0.239
  228   HD13  LEU  36          HD13      LEU  36   8.453   3.536   0.705
  229   HD21  LEU  36          HD21      LEU  36   6.416   3.218   0.274
  230   HD22  LEU  36          HD22      LEU  36   5.078   4.211   0.849
  231   HD23  LEU  36          HD23      LEU  36   5.738   2.941   1.878
  232    H    THR  37           HN       THR  37   7.676   3.867   5.789
  233    HA   THR  37           HA       THR  37  10.206   4.942   6.830
  234    HB   THR  37           HB       THR  37   9.769   3.353   8.746
  235    HG1  THR  37           HG1      THR  37   8.203   2.017   8.486
  236   HG21  THR  37          HG21      THR  37   7.692   4.701   9.552
  237   HG22  THR  37          HG22      THR  37   8.027   5.681   8.123
  238   HG23  THR  37          HG23      THR  37   9.260   5.487   9.370
  239    HA   PRO  38           HA       PRO  38  13.001   1.844   5.476
  240    HB2  PRO  38           HB2      PRO  38  13.189   1.088   8.372
  241    HB3  PRO  38           HB1      PRO  38  14.486   1.324   7.192
  242    HG2  PRO  38           HG2      PRO  38  13.947   3.221   8.954
  243    HG3  PRO  38           HG1      PRO  38  14.301   3.647   7.268
  244    HD2  PRO  38           HD2      PRO  38  11.699   3.634   8.713
  245    HD3  PRO  38           HD1      PRO  38  12.255   4.684   7.395
  246    H    GLY  39           HN       GLY  39  12.946  -0.273   4.847
  247    HA2  GLY  39           HA2      GLY  39  12.175  -2.421   4.592
  248    HA3  GLY  39           HA1      GLY  39  11.682  -2.358   6.277
  249    H    SER  40           HN       SER  40  10.351   0.123   4.353
  250    HA   SER  40           HA       SER  40   7.818  -1.372   4.183
  251    HB2  SER  40           HB2      SER  40   8.044   1.634   4.314
  252    HB3  SER  40           HB1      SER  40   6.620   0.634   4.598
  253    HG   SER  40           HG       SER  40   7.202   0.467   6.601
  254    H    GLN  41           HN       GLN  41   6.954  -1.663   2.234
  255    HA   GLN  41           HA       GLN  41   8.167  -0.249  -0.037
  256    HB2  GLN  41           HB2      GLN  41   6.765  -2.895   0.226
  257    HB3  GLN  41           HB1      GLN  41   6.954  -2.123  -1.342
  258    HG2  GLN  41           HG2      GLN  41   9.489  -2.000  -0.345
  259    HG3  GLN  41           HG1      GLN  41   8.906  -3.528   0.313
  260   HE21  GLN  41          HE21      GLN  41   8.718  -5.254  -0.995
  261   HE22  GLN  41          HE22      GLN  41   9.079  -5.246  -2.685
  262    H    CYS  42           HN       CYS  42   5.086  -1.048   1.462
  263    HA   CYS  42           HA       CYS  42   3.827   1.273   0.409
  264    HB2  CYS  42           HB2      CYS  42   3.778  -0.124  -1.618
  265    HB3  CYS  42           HB1      CYS  42   2.933  -1.384  -0.725
  266    H    ASN  43           HN       ASN  43   1.936   1.755   1.485
  267    HA   ASN  43           HA       ASN  43   1.258  -0.099   3.652
  268    HB2  ASN  43           HB2      ASN  43   1.997   2.081   4.418
  269    HB3  ASN  43           HB1      ASN  43   0.789   2.875   3.414
  270   HD21  ASN  43          HD21      ASN  43  -1.304   2.980   4.099
  271   HD22  ASN  43          HD22      ASN  43  -1.816   2.482   5.672
  272    H    TYR  44           HN       TYR  44  -0.125   1.755   1.003
  273    HA   TYR  44           HA       TYR  44  -2.641   0.277   1.398
  274    HB2  TYR  44           HB2      TYR  44  -3.977   2.150   1.147
  275    HB3  TYR  44           HB1      TYR  44  -2.620   2.822   2.044
  276    HD1  TYR  44           HD1      TYR  44  -3.833   2.332  -1.452
  277    HD2  TYR  44           HD2      TYR  44  -1.552   4.721   1.233
  278    HE1  TYR  44           HE1      TYR  44  -3.481   3.981  -3.227
  279    HE2  TYR  44           HE2      TYR  44  -1.184   6.371  -0.538
  280    HH   TYR  44           HH       TYR  44  -2.932   6.673  -3.168
  281    H    GLY  45           HN       GLY  45  -3.706  -0.382  -0.443
  282    HA2  GLY  45           HA2      GLY  45  -3.771   0.218  -2.967
  283    HA3  GLY  45           HA1      GLY  45  -2.089  -0.286  -2.887
  284    H    GLU  46           HN       GLU  46  -3.521  -1.626  -4.628
  285    HA   GLU  46           HA       GLU  46  -5.034  -3.805  -3.749
  286    HB2  GLU  46           HB2      GLU  46  -3.443  -3.219  -6.212
  287    HB3  GLU  46           HB1      GLU  46  -4.083  -4.839  -5.970
  288    HG2  GLU  46           HG2      GLU  46  -6.248  -4.184  -6.229
  289    HG3  GLU  46           HG1      GLU  46  -5.940  -2.549  -5.643
  290    H    CYS  47           HN       CYS  47  -1.583  -3.327  -3.918
  291    HA   CYS  47           HA       CYS  47  -1.186  -6.062  -2.879
  292    HB2  CYS  47           HB2      CYS  47   0.236  -4.500  -4.949
  293    HB3  CYS  47           HB1      CYS  47   1.254  -5.420  -3.851
  294    H    CYS  48           HN       CYS  48  -1.736  -3.798  -1.189
  295    HA   CYS  48           HA       CYS  48   0.866  -3.615   0.176
  296    HB2  CYS  48           HB2      CYS  48  -1.172  -1.399   0.227
  297    HB3  CYS  48           HB1      CYS  48   0.515  -1.341   0.731
  298    H    ASP  49           HN       ASP  49   0.880  -4.311   2.183
  299    HA   ASP  49           HA       ASP  49  -1.447  -4.063   3.885
  300    HB2  ASP  49           HB2      ASP  49  -1.356  -6.345   2.462
  301    HB3  ASP  49           HB1      ASP  49  -0.341  -6.818   3.821
  302    H    GLN  50           HN       GLN  50  -0.704  -3.344   5.748
  303    HA   GLN  50           HA       GLN  50   0.593  -3.005   7.587
  304    HB2  GLN  50           HB2      GLN  50   0.517  -5.647   7.386
  305    HB3  GLN  50           HB1      GLN  50   2.228  -5.440   7.036
  306    HG2  GLN  50           HG2      GLN  50   2.591  -4.366   9.146
  307    HG3  GLN  50           HG1      GLN  50   0.861  -4.350   9.484
  308   HE21  GLN  50          HE21      GLN  50   0.892  -5.562  11.310
  309   HE22  GLN  50          HE22      GLN  50   1.358  -7.225  11.356
  310    H    CYS  51           HN       CYS  51   1.371  -1.763   5.195
  311    HA   CYS  51           HA       CYS  51   3.075  -0.511   4.363
  312    HB2  CYS  51           HB2      CYS  51   4.943  -1.377   6.529
  313    HB3  CYS  51           HB1      CYS  51   4.731   0.212   5.805
  314    H    ARG  52           HN       ARG  52   2.845  -3.516   3.906
  315    HA   ARG  52           HA       ARG  52   5.422  -3.774   2.538
  316    HB2  ARG  52           HB2      ARG  52   4.184  -6.002   4.167
  317    HB3  ARG  52           HB1      ARG  52   5.673  -6.095   3.236
  318    HG2  ARG  52           HG2      ARG  52   5.343  -4.130   5.475
  319    HG3  ARG  52           HG1      ARG  52   5.859  -5.794   5.762
  320    HD2  ARG  52           HD2      ARG  52   7.228  -3.764   4.001
  321    HD3  ARG  52           HD1      ARG  52   7.789  -4.337   5.571
  322    HE   ARG  52           HE       ARG  52   8.140  -5.625   3.056
  323   HH11  ARG  52          HH11      ARG  52   7.679  -6.239   6.460
  324   HH12  ARG  52          HH12      ARG  52   8.471  -7.778   6.418
  325   HH21  ARG  52          HH21      ARG  52   9.181  -7.650   2.998
  326   HH22  ARG  52          HH22      ARG  52   9.324  -8.579   4.452
  327    H    PHE  53           HN       PHE  53   5.377  -5.240   0.719
  328    HA   PHE  53           HA       PHE  53   2.897  -5.134  -0.677
  329    HB2  PHE  53           HB2      PHE  53   5.563  -6.369  -1.339
  330    HB3  PHE  53           HB1      PHE  53   4.165  -6.566  -2.393
  331    HD1  PHE  53           HD2      PHE  53   3.052  -3.743  -1.824
  332    HD2  PHE  53           HD1      PHE  53   6.892  -5.188  -2.935
  333    HE1  PHE  53           HE2      PHE  53   3.530  -1.606  -2.896
  334    HE2  PHE  53           HE1      PHE  53   7.387  -3.033  -4.016
  335    HZ   PHE  53           HZ       PHE  53   5.705  -1.233  -3.999
  336    H    LYS  54           HN       LYS  54   1.434  -6.689  -1.136
  337    HA   LYS  54           HA       LYS  54   1.142  -8.834   0.665
  338    HB2  LYS  54           HB2      LYS  54  -0.190  -8.065  -1.909
  339    HB3  LYS  54           HB1      LYS  54  -0.535  -9.630  -1.187
  340    HG2  LYS  54           HG2      LYS  54  -1.559  -8.697   0.666
  341    HG3  LYS  54           HG1      LYS  54  -0.763  -7.138   0.445
  342    HD2  LYS  54           HD2      LYS  54  -2.309  -6.413  -1.036
  343    HD3  LYS  54           HD1      LYS  54  -2.509  -8.007  -1.765
  344    HE2  LYS  54           HE2      LYS  54  -3.820  -8.708   0.205
  345    HE3  LYS  54           HE1      LYS  54  -3.669  -7.078   0.860
  346    HZ1  LYS  54           HZ1      LYS  54  -5.740  -7.827  -0.568
  347    HZ2  LYS  54           HZ2      LYS  54  -4.741  -7.344  -1.844
  348    HZ3  LYS  54           HZ3      LYS  54  -5.145  -6.244  -0.624
  349    H    LYS  55           HN       LYS  55   2.340 -10.623   0.748
  350    HA   LYS  55           HA       LYS  55   4.276 -11.477  -0.934
  351    HB2  LYS  55           HB2      LYS  55   3.821 -12.497   1.255
  352    HB3  LYS  55           HB1      LYS  55   2.389 -13.277   0.597
  353    HG2  LYS  55           HG2      LYS  55   3.981 -14.959   0.576
  354    HG3  LYS  55           HG1      LYS  55   4.001 -14.360  -1.084
  355    HD2  LYS  55           HD2      LYS  55   5.886 -12.789  -0.185
  356    HD3  LYS  55           HD1      LYS  55   6.018 -14.001   1.091
  357    HE2  LYS  55           HE2      LYS  55   5.994 -14.836  -1.780
  358    HE3  LYS  55           HE1      LYS  55   7.475 -14.214  -1.055
  359    HZ1  LYS  55           HZ1      LYS  55   6.821 -15.971   0.782
  360    HZ2  LYS  55           HZ2      LYS  55   7.719 -16.404  -0.585
  361    HZ3  LYS  55           HZ3      LYS  55   6.056 -16.713  -0.533
  362    H    ALA  56           HN       ALA  56   4.401 -12.172  -2.961
  363    HA   ALA  56           HA       ALA  56   2.464 -12.231  -4.818
  364    HB1  ALA  56           HB1      ALA  56   4.596 -12.538  -5.664
  365    HB2  ALA  56           HB2      ALA  56   3.835 -14.103  -5.955
  366    HB3  ALA  56           HB3      ALA  56   4.936 -13.897  -4.592
  367    H    GLY  57           HN       GLY  57   0.698 -13.369  -5.256
  368    HA2  GLY  57           HA2      GLY  57  -0.298 -15.620  -5.507
  369    HA3  GLY  57           HA1      GLY  57   0.407 -16.009  -3.942
  370    H    THR  58           HN       THR  58  -0.402 -12.994  -3.404
  371    HA   THR  58           HA       THR  58  -2.864 -13.671  -2.068
  372    HB   THR  58           HB       THR  58  -1.345 -11.061  -2.323
  373    HG1  THR  58           HG1      THR  58  -0.152 -12.098  -0.936
  374   HG21  THR  58          HG21      THR  58  -3.095 -11.303  -0.034
  375   HG22  THR  58          HG22      THR  58  -3.977 -11.298  -1.561
  376   HG23  THR  58          HG23      THR  58  -2.881  -9.969  -1.168
  377    H    VAL  59           HN       VAL  59  -4.626 -13.882  -3.361
  378    HA   VAL  59           HA       VAL  59  -4.988 -12.561  -5.813
  379    HB   VAL  59           HB       VAL  59  -6.226 -14.607  -5.243
  380   HG11  VAL  59          HG11      VAL  59  -7.601 -14.844  -3.482
  381   HG12  VAL  59          HG12      VAL  59  -8.261 -13.217  -3.647
  382   HG13  VAL  59          HG13      VAL  59  -6.712 -13.463  -2.841
  383   HG21  VAL  59          HG21      VAL  59  -7.433 -12.189  -6.322
  384   HG22  VAL  59          HG22      VAL  59  -8.623 -13.338  -5.712
  385   HG23  VAL  59          HG23      VAL  59  -7.461 -13.841  -6.939
  386    H    CYS  60           HN       CYS  60  -5.310 -10.461  -6.147
  387    HA   CYS  60           HA       CYS  60  -6.629  -8.886  -4.043
  388    HB2  CYS  60           HB2      CYS  60  -5.195  -7.688  -6.389
  389    HB3  CYS  60           HB1      CYS  60  -5.510  -6.980  -4.810
  390    H    ARG  61           HN       ARG  61  -6.945  -9.990  -7.298
  391    HA   ARG  61           HA       ARG  61  -9.616  -8.874  -7.445
  392    HB2  ARG  61           HB2      ARG  61  -7.789  -8.333  -9.767
  393    HB3  ARG  61           HB1      ARG  61  -9.345  -7.604  -9.398
  394    HG2  ARG  61           HG2      ARG  61  -8.286  -6.494  -7.441
  395    HG3  ARG  61           HG1      ARG  61  -6.730  -7.117  -7.993
  396    HD2  ARG  61           HD2      ARG  61  -8.543  -5.395  -9.674
  397    HD3  ARG  61           HD1      ARG  61  -7.236  -4.760  -8.677
  398    HE   ARG  61           HE       ARG  61  -6.524  -6.799 -10.625
  399   HH11  ARG  61          HH11      ARG  61  -6.656  -3.397  -9.836
  400   HH12  ARG  61          HH12      ARG  61  -5.476  -2.953 -11.021
  401   HH21  ARG  61          HH21      ARG  61  -4.976  -6.209 -12.183
  402   HH22  ARG  61          HH22      ARG  61  -4.524  -4.546 -12.353
  403    H    ILE  62           HN       ILE  62 -10.434  -9.411  -9.846
  404    HA   ILE  62           HA       ILE  62  -9.484 -11.703 -11.141
  405    HB   ILE  62           HB       ILE  62 -10.121 -12.991  -9.228
  406   HG12  ILE  62          HG12      ILE  62 -11.859 -14.468 -10.161
  407   HG13  ILE  62          HG11      ILE  62 -12.285 -13.226 -11.333
  408   HG21  ILE  62          HG21      ILE  62 -11.817 -11.078  -8.572
  409   HG22  ILE  62          HG22      ILE  62 -12.002 -12.726  -7.972
  410   HG23  ILE  62          HG23      ILE  62 -12.967 -12.170  -9.342
  411   HD11  ILE  62          HD11      ILE  62 -10.951 -14.572 -12.597
  412   HD12  ILE  62          HD12      ILE  62  -9.921 -15.019 -11.237
  413   HD13  ILE  62          HD13      ILE  62  -9.755 -13.431 -11.986
  414    H    ALA  63           HN       ALA  63 -10.423 -11.824 -13.079
  415    HA   ALA  63           HA       ALA  63 -12.096  -9.809 -13.983
  416    HB1  ALA  63           HB1      ALA  63 -11.261 -10.618 -15.863
  417    HB2  ALA  63           HB2      ALA  63 -12.478 -11.889 -15.784
  418    HB3  ALA  63           HB3      ALA  63 -10.873 -12.159 -15.104
  419    H    ARG  64           HN       ARG  64 -13.409 -12.981 -14.698
  420    HA   ARG  64           HA       ARG  64 -15.685 -12.486 -12.933
  421    HB2  ARG  64           HB2      ARG  64 -15.960 -12.920 -15.912
  422    HB3  ARG  64           HB1      ARG  64 -17.292 -12.875 -14.766
  423    HG2  ARG  64           HG2      ARG  64 -15.403 -10.570 -15.118
  424    HG3  ARG  64           HG1      ARG  64 -16.853 -10.770 -16.103
  425    HD2  ARG  64           HD2      ARG  64 -17.046 -10.885 -13.123
  426    HD3  ARG  64           HD1      ARG  64 -16.934  -9.323 -13.935
  427    HE   ARG  64           HE       ARG  64 -19.222 -10.971 -13.769
  428   HH11  ARG  64          HH11      ARG  64 -17.523  -8.887 -15.994
  429   HH12  ARG  64          HH12      ARG  64 -18.947  -8.472 -16.887
  430   HH21  ARG  64          HH21      ARG  64 -21.096 -10.426 -14.943
  431   HH22  ARG  64          HH22      ARG  64 -20.976  -9.344 -16.291
  432    H    GLY  65           HN       GLY  65 -14.920 -14.324 -11.775
  433    HA2  GLY  65           HA2      GLY  65 -15.949 -16.611 -11.619
  434    HA3  GLY  65           HA1      GLY  65 -15.282 -16.870 -13.225
  435    H    ASP  66           HN       ASP  66 -13.264 -17.609 -13.428
  436    HA   ASP  66           HA       ASP  66 -11.140 -17.161 -11.709
  437    HB2  ASP  66           HB2      ASP  66 -12.904 -18.793 -10.416
  438    HB3  ASP  66           HB1      ASP  66 -11.848 -19.974 -11.184
  439    H    TRP  67           HN       TRP  67 -10.062 -17.021 -13.631
  440    HA   TRP  67           HA       TRP  67  -9.559 -19.568 -15.031
  441    HB2  TRP  67           HB2      TRP  67  -8.822 -17.433 -16.731
  442    HB3  TRP  67           HB1      TRP  67 -10.164 -18.552 -16.938
  443    HD1  TRP  67           HD1      TRP  67  -9.523 -15.181 -15.075
  444    HE1  TRP  67           HE1      TRP  67 -11.685 -13.814 -15.206
  445    HE3  TRP  67           HE3      TRP  67 -12.470 -18.549 -17.531
  446    HZ2  TRP  67           HZ2      TRP  67 -14.286 -14.104 -16.216
  447    HZ3  TRP  67           HZ3      TRP  67 -14.795 -17.922 -18.052
  448    HH2  TRP  67           HH2      TRP  67 -15.684 -15.740 -17.407
  449    H    ASN  68           HN       ASN  68  -8.127 -16.357 -14.904
  450    HA   ASN  68           HA       ASN  68  -5.477 -17.553 -14.503
  451    HB2  ASN  68           HB2      ASN  68  -5.890 -14.664 -15.185
  452    HB3  ASN  68           HB1      ASN  68  -4.547 -15.724 -15.600
  453   HD21  ASN  68          HD21      ASN  68  -7.964 -15.111 -16.263
  454   HD22  ASN  68          HD22      ASN  68  -7.934 -15.684 -17.892
  455    H    ASP  69           HN       ASP  69  -7.829 -15.328 -13.216
  456    HA   ASP  69           HA       ASP  69  -8.063 -14.314 -11.202
  457    HB2  ASP  69           HB2      ASP  69  -6.175 -16.542 -10.560
  458    HB3  ASP  69           HB1      ASP  69  -6.529 -15.329  -9.335
  459    H    ASP  70           HN       ASP  70  -7.247 -12.616 -10.010
  460    HA   ASP  70           HA       ASP  70  -4.758 -11.506 -11.030
  461    HB2  ASP  70           HB2      ASP  70  -6.920 -10.156 -10.844
  462    HB3  ASP  70           HB1      ASP  70  -6.673 -10.196  -9.104
  463    H    TYR  71           HN       TYR  71  -2.901 -11.702  -9.942
  464    HA   TYR  71           HA       TYR  71  -3.069 -12.076  -7.033
  465    HB2  TYR  71           HB2      TYR  71  -1.663 -13.767  -9.051
  466    HB3  TYR  71           HB1      TYR  71  -1.056 -13.662  -7.398
  467    HD1  TYR  71           HD2      TYR  71  -2.672 -14.152  -5.530
  468    HD2  TYR  71           HD1      TYR  71  -3.427 -15.206  -9.562
  469    HE1  TYR  71           HE2      TYR  71  -4.321 -15.787  -4.764
  470    HE2  TYR  71           HE1      TYR  71  -5.102 -16.838  -8.836
  471    HH   TYR  71           HH       TYR  71  -6.495 -16.886  -5.929
  472    H    CYS  72           HN       CYS  72  -1.416 -11.397  -5.790
  473    HA   CYS  72           HA       CYS  72   0.058  -9.164  -6.740
  474    HB2  CYS  72           HB2      CYS  72  -0.814  -9.715  -4.342
  475    HB3  CYS  72           HB1      CYS  72   0.706 -10.591  -4.184
  476    H    THR  73           HN       THR  73   2.430  -8.964  -6.466
  477    HA   THR  73           HA       THR  73   3.803 -11.477  -7.146
  478    HB   THR  73           HB       THR  73   5.028 -10.449  -8.847
  479    HG1  THR  73           HG1      THR  73   4.309  -8.004  -7.627
  480   HG21  THR  73          HG21      THR  73   2.341 -10.342  -9.087
  481   HG22  THR  73          HG22      THR  73   3.477  -9.910 -10.366
  482   HG23  THR  73          HG23      THR  73   2.769  -8.651  -9.352
  483    H    GLY  74           HN       GLY  74   3.502  -9.210  -4.823
  484    HA2  GLY  74           HA2      GLY  74   4.794  -8.550  -3.051
  485    HA3  GLY  74           HA1      GLY  74   5.780  -9.963  -3.397
  486    H    LYS  75           HN       LYS  75   5.380  -7.508  -5.822
  487    HA   LYS  75           HA       LYS  75   8.008  -6.381  -5.156
  488    HB2  LYS  75           HB2      LYS  75   7.202  -7.228  -7.941
  489    HB3  LYS  75           HB1      LYS  75   8.743  -6.535  -7.458
  490    HG2  LYS  75           HG2      LYS  75   9.555  -8.527  -6.927
  491    HG3  LYS  75           HG1      LYS  75   8.160  -8.894  -5.912
  492    HD2  LYS  75           HD2      LYS  75   7.962 -10.542  -7.491
  493    HD3  LYS  75           HD1      LYS  75   6.987  -9.274  -8.237
  494    HE2  LYS  75           HE2      LYS  75   9.445  -8.656  -9.190
  495    HE3  LYS  75           HE1      LYS  75   9.575 -10.409  -9.058
  496    HZ1  LYS  75           HZ1      LYS  75   8.664  -9.365 -11.217
  497    HZ2  LYS  75           HZ2      LYS  75   7.221  -9.203 -10.351
  498    HZ3  LYS  75           HZ3      LYS  75   7.899 -10.735 -10.583
  499    H    SER  76           HN       SER  76   4.922  -5.621  -5.405
  500    HA   SER  76           HA       SER  76   5.401  -2.877  -5.908
  501    HB2  SER  76           HB2      SER  76   3.599  -3.090  -7.946
  502    HB3  SER  76           HB1      SER  76   5.343  -2.959  -8.169
  503    HG   SER  76           HG       SER  76   5.074  -4.791  -9.177
  504    H    SER  77           HN       SER  77   3.288  -1.628  -6.074
  505    HA   SER  77           HA       SER  77   1.447  -2.709  -4.093
  506    HB2  SER  77           HB2      SER  77   0.473  -0.373  -4.189
  507    HB3  SER  77           HB1      SER  77   2.156  -0.460  -3.672
  508    HG   SER  77           HG       SER  77   1.913   1.166  -5.212
  509    H    ASP  78           HN       ASP  78   1.631  -3.278  -7.189
  510    HA   ASP  78           HA       ASP  78  -1.253  -2.933  -7.684
  511    HB2  ASP  78           HB2      ASP  78   0.903  -3.272  -9.777
  512    HB3  ASP  78           HB1      ASP  78  -0.791  -2.873 -10.049
  513    H    CYS  79           HN       CYS  79  -2.427  -4.650  -8.484
  514    HA   CYS  79           HA       CYS  79  -1.091  -7.280  -8.358
  515    HB2  CYS  79           HB2      CYS  79  -3.185  -6.318  -6.800
  516    HB3  CYS  79           HB1      CYS  79  -3.977  -7.345  -7.988
  517    HA   PRO  80           HA       PRO  80  -2.443  -7.176 -12.700
  518    HB2  PRO  80           HB2      PRO  80  -0.978  -9.315 -13.489
  519    HB3  PRO  80           HB1      PRO  80  -0.281  -7.704 -13.281
  520    HG2  PRO  80           HG2      PRO  80  -0.232 -10.044 -11.411
  521    HG3  PRO  80           HG1      PRO  80   1.084  -8.940 -11.855
  522    HD2  PRO  80           HD2      PRO  80  -0.300  -8.688  -9.546
  523    HD3  PRO  80           HD1      PRO  80   0.351  -7.288 -10.421
  524    H    TRP  81           HN       TRP  81  -4.078  -8.218 -13.708
  525    HA   TRP  81           HA       TRP  81  -5.614 -10.154 -12.318
  526    HB2  TRP  81           HB2      TRP  81  -6.131 -10.031 -15.195
  527    HB3  TRP  81           HB1      TRP  81  -7.221  -9.755 -13.845
  528    HD1  TRP  81           HD1      TRP  81  -4.824  -7.895 -16.191
  529    HE1  TRP  81           HE1      TRP  81  -5.370  -5.381 -16.063
  530    HE3  TRP  81           HE3      TRP  81  -8.159  -8.008 -12.352
  531    HZ2  TRP  81           HZ2      TRP  81  -7.014  -3.678 -14.528
  532    HZ3  TRP  81           HZ3      TRP  81  -9.192  -5.897 -11.604
  533    HH2  TRP  81           HH2      TRP  81  -8.625  -3.772 -12.672
  534    H    ASN  82           HN       ASN  82  -2.972 -10.422 -14.428
  535    HA   ASN  82           HA       ASN  82  -1.768 -12.258 -15.098
  536    HB2  ASN  82           HB2      ASN  82  -2.814 -13.327 -12.976
  537    HB3  ASN  82           HB1      ASN  82  -3.945 -14.082 -14.095
  538   HD21  ASN  82          HD21      ASN  82  -1.728 -15.107 -12.335
  539   HD22  ASN  82          HD22      ASN  82  -0.769 -16.087 -13.385
  540    H    HIS  83           HN       HIS  83  -3.992 -10.872 -16.502
  541    HA   HIS  83           HA       HIS  83  -4.966 -12.949 -18.315
  542    HB2  HIS  83           HB2      HIS  83  -5.701 -10.016 -18.112
  543    HB3  HIS  83           HB1      HIS  83  -6.474 -11.199 -19.166
  544    HD1  HIS  83           HD1      HIS  83  -7.967  -9.592 -16.902
  545    HD2  HIS  83           HD2      HIS  83  -6.535 -13.475 -16.580
  546    HE1  HIS  83           HE1      HIS  83  -9.299 -10.651 -15.050
  547    HE2  HIS  83           HE2      HIS  83  -8.363 -12.976 -14.822