*HEADER    COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE)   10-OCT-94   1RLP      
*COMPND    C-SRC (SH3 DOMAIN) COMPLEXED WITH THE PROLINE-RICH            
*COMPND   2 LIGAND RLP2 (RALPPLPRY) (NMR, 16 STRUCTURES)                 
*SOURCE    MOLECULE: C-SRC SH3 DOMAIN;                                   
*SOURCE   2 ORGANISM: CHICKEN (GALLUS GALLUS);                           
*SOURCE   3 EXPRESSION SYSTEM: GST-FUSION; PLASMID: PGEX-2T;             
*SOURCE   4 GENE: CHICKEN;                                               
*SOURCE   5 MOLECULE: RLP2 LIGAND; EXPRESSION SYSTEM: GST-FUSION;        
*SOURCE   6 PLASMID: PGEX-2T; GENE: SYNTHETIC OLIGO                      
*EXPDTA    NMR                                                           
*AUTHOR    S.FENG,J.K.CHEN,H.YU,J.A.SIMON,S.L.SCHREIBER                  
*REVDAT   1   12-OCT-04 1RLP    0   

!Src SH3/RAL9 restrains counted 532;intra-RAL9 54;intermol 22;New H-bond restrains 14 
!July 11, 1994 
!For weak NOEs the first number is 4.0
!For medium NOEs the first number is 3.0
!For strong NOEs the first number is 2.5
!For NOEs involving amide protons:
!weak: 		1.8 to 5.0
!medium:	1.8 to 3.5
!strong:	1.8 to 2.7
!For NOEs not involving amide protons:
!weak:		1.8 to 5.0
!medium:	1.8 to 3.3
!strong:	1.8 to 2.7
!Other general rules:
!1.methyl groups:
!A.	add 1.0 to upper limit to account for methyl pseudoatom.
!B.	add 0.5 to upper limit to account for three methyl protons.
!	i.e. add totol of 1.5 to upper limit for all methyl groups.
!2. non stereospecifically assigned methylenes:
! add 1.0 to upper limit to account for pseudoatom.
!3. aromatics:
! put phe & tyr into seperate(r-6) list and do not apply pseudoatom correction.
!4. leucine and valine methyls:
! same as 3.


set echo= true end
set wrnlev= 0 end


assign  (resid	19 and name hn)  (resid	20 and name hg#)  4.0 2.2 2.5	!9.83	1.18
assign  (resid	19 and name hn)  (resid	19 and name ha)	  4.0 2.2 1.0   !9.82	4.6
assign  (resid	19 and name hn)  (resid	18 and name ha)	  2.5 0.7 0.2   !9.82	4.21
assign  (resid	19 and name hn)  (resid	18 and name hb1)  4.0 2.2 1.0	!9.82	3.95
assign  (resid	19 and name hn)  (resid	18 and name hb2)  4.0 2.2 1.0	!9.82	3.76
!assign  (resid	19 and name hn)  (resid	19 and name hd#)   4.0 2.2 2.0	!9.82	3.3
assign  (resid	19 and name hn)  (resid	19 and name hb2)  3.0 1.2 0.5	!9.82	1.87
assign  (resid	19 and name hn)  (resid	19 and name hg#)  4.0 2.2 2.0	!9.82	1.75
assign  (resid	19 and name hn)  (resid	19 and name hb1)  4.0 2.2 1.0	!9.82	2.07
assign  (resid	11 and name hn)  (resid	11 and name hb)   3.0 1.2 0.5	!9.62	1.91
assign  (resid	11 and name hn)  (resid	63 and name ha)   4.0 2.2 1.0	!9.62	3.67
assign  (resid	11 and name hn)  (resid	61 and name hb)	  4.0 2.2 1.0   !9.61	2.23
assign  (resid	11 and name hn)  (resid	10 and name ha)	  3.0 1.2 0.5   !9.61	5.09
assign  (resid	11 and name hn)  (resid	10 and name hb1)  3.0 1.2 0.5	!9.61	2.96
assign  (resid	11 and name hn)  (resid	10 and name hb2)  4.0 2.2 1.0	!9.61	2.83
assign  (resid	11 and name hn)  (resid	11 and name ha)	  4.0 2.2 1.0   !9.61	5.19
assign  (resid	56 and name hn)  (resid	44 and name ha)	  4.0 2.2 1.0   !9.59	4.14
assign  (resid	56 and name hn)  (resid	34 and name hd#)  4.0 2.2 2.5	!9.59	0.57
assign  (resid	56 and name hn)  (resid	55 and name ha)   2.5 0.7 0.2	!9.59	5.44
assign  (resid	56 and name hn)  (resid	56 and name ha)   4.0 2.2 1.0	!9.59	5.22
assign  (resid	56 and name hn)  (resid	56 and name hg1#) 3.0 1.2 1.5	!9.58	1.13
assign  (resid	56 and name hn)  (resid	56 and name hd#)  4.0 2.2 2.5	!9.58	
assign  (resid	13 and name hn)  (resid	61 and name ha)   3.0 1.2 0.5	!9.58	5.53
assign  (resid	13 and name hn)  (resid	61 and name hg2#) 4.0 2.2 2.5	!9.58	
assign  (resid	13 and name hn)  (resid	13 and name ha)   4.0 2.2 1.0	!9.58	4.09
assign  (resid	13 and name hn)  (resid	12 and name ha)   2.5 0.7 0.2	!9.58	4.72
assign  (resid	13 and name hn)  (resid	12 and name hb#)  3.0 1.2 2.0	!9.58	
assign  (resid	13 and name hn)  (resid	13 and name hg)   3.0 1.2 0.5	!9.58	1.49
assign  (resid	13 and name hn)  (resid	13 and name hb2)  3.0 1.2 0.5	!9.58	1.06
assign  (resid	13 and name hn)  (resid	13 and name hb1)  4.0 2.2 1.0   !9.58	0.67
assign  (resid	10 and name hn)  (resid	10 and name ha)   4.0 2.2 1.0	!9.49	5.11
assign  (resid	10 and name hn)  (resid	9 and name ha)    2.5 0.7 0.2	!9.49	5.11
assign  (resid	10 and name hn)  (resid	10 and name hb2)  3.0 1.2 0.5	!9.49	2.95
assign  (resid	10 and name hn)  (resid	10 and name hb1)  4.0 2.2 1.0  	!9.49	2.83
assign  (resid	10 and name hn)  (resid	9 and name hb)    4.0 2.2 1.0	!9.49	4.13
assign  (resid	10 and name hn)  (resid	9 and name hg#)	  4.0 2.2 2.5   !9.48	1.27
assign  (resid	28 and name hn)  (resid 28 and name ha)   3.0 1.2 0.5	!9.33	3.56
assign  (resid	28 and name hn)  (resid	27 and name ha)   2.5 0.7 0.2	!9.32	5.18
assign  (resid	28 and name hn)  (resid	28 and name hb1)  3.0 1.2 0.5	!9.32	1.80
assign  (resid	28 and name hn)  (resid	28 and name hb2)  3.0 1.2 0.5	!9.32	1.67
assign  (resid	28 and name hn)  (resid	27 and name hb2)  4.0 2.2 1.0	!9.32	1.95
assign  (resid	28 and name hn)  (resid	27 and name hb1)  3.0 1.2 0.5	!9.32	2.08
assign  (resid	32 and name hn)  (resid	31 and name ha)   2.5 0.7 0.2	!9.32	5.18
assign  (resid	32 and name hn)  (resid	31 and name hb1)  4.0 2.2 1.0	!9.32
assign  (resid	32 and name hn)  (resid	31 and name hg#)  4.0 2.2 2.0	
assign  (resid	32 and name hn)  (resid	32 and name hb2)  3.0 1.2 0.5	!9.32	1.43
assign  (resid	32 and name hn)  (resid	32 and name hb1)  4.0 2.2 1.0	!9.32	
assign  (resid	32 and name hn)  (resid	32 and name hg)   4.0 2.2 1.0	!9.32	1.51
assign  (resid	32 and name hn)  (resid 32 and name hd1#) 4.0 2.2 2.5   !9.31	0.28
assign  (resid	32 and name hn)  (resid 32 and name hd2#) 4.0 2.2 2.5	!9.3	0.69
assign  (resid	46 and name hn)  (resid	45 and name ha)   2.5 0.7 0.2	!9.28	5.48
assign  (resid	46 and name hn)  (resid	46 and name hb1)  3.0 1.2 0.5 	!9.28	3.16
assign  (resid	46 and name hn)  (resid	46 and name hb2)  3.0 1.2 0.5	!9.27	2.96
assign  (resid	46 and name hn)  (resid	45 and name hb#)  3.0 1.2 2.0  	!9.28	1.37
assign  (resid  46 and name hn)  (resid 35 and name hg2#) 4.0 2.2 2.5	!9.27	0.87
assign  (resid	46 and name hn)  (resid	46 and name ha)   4.0 2.2 1.0	!9.27	5.6
assign  (resid	46 and name hn)  (resid	34 and name ha)   4.0 2.2 1.0	!9.28	4.39
assign  (resid	46 and name hn)  (resid	34 and name hd#)  4.0 2.2 2.5	!9.28
assign  (resid	46 and name hn)  (resid	33 and name hb2)  4.0 2.2 1.0 	!9.28		
assign  (resid	43 and name hn)  (resid	43 and name ha)   3.0 1.2 0.5	!9.27	5.6
assign  (resid	43 and name hn)  (resid	42 and name ha)   2.5 0.7 0.2	!9.27	5.33
assign  (resid	43 and name hn)  (resid	43 and name hb2)  3.0 1.2 0.5  	!9.27	2.99
assign  (resid	43 and name hn)  (resid	43 and name hb1)  4.0 2.2 1.0  	!9.27	3.09
assign  (resid	43 and name hn)  (resid	42 and name hb#)  3.0 1.2 1.5
assign  (resid	43 and name hn)  (resid	56 and name hg1#) 4.0 2.2 2.0
assign  (resid	43 and name hn)  (resid	56 and name hd#)  4.0 2.2 2.5
assign  (resid	33 and name hn)  (resid	33 and name ha)   3.0 1.2 0.5	!9.24	5.17
assign  (resid	33 and name hn)  (resid	32 and name ha)   2.5 0.7 0.2	!9.24	5.17
assign  (resid	33 and name hn)  (resid	32 and name hb2)  4.0 2.2 1.0
assign  (resid	33 and name hn)  (resid 32 and name hd2#) 4.0 2.2 2.5  
assign  (resid	33 and name hn)  (resid 32 and name hd1#) 4.0 2.2 2.5
assign  (resid	33 and name hn)  (resid 48 and name hd2#) 4.0 2.2 2.5
assign  (resid	33 and name hn)  (resid 48 and name hg)   4.0 2.2 1.0
assign  (resid	33 and name hn)  (resid	33 and name hb2)  3.0 1.2 0.5	!9.24	2.21
assign  (resid	33 and name hn)  (resid	33 and name hg#)  4.0 2.2 2.0	!9.24	
assign  (resid	45 and name hn)  (resid	55 and name ha)   4.0 2.2 1.0	!9.22	5.47
assign  (resid	45 and name hn)  (resid	45 and name ha)   3.0 1.2 0.5	!9.22	5.47
assign  (resid	45 and name hn)  (resid	45 and name hb#)  3.0 1.2 2.0	!9.22	1.37
assign  (resid	45 and name hn)  (resid	44 and name ha)   2.5 0.7 0.2	!9.22	4.12
assign  (resid	45 and name hn)  (resid	44 and name hg)   4.0 2.2 1.0	!9.22	1.14
assign  (resid	45 and name hn)  (resid	44 and name hb2)  4.0 2.2 1.0
assign  (resid	45 and name hn)  (resid 44 and name hd2#) 4.0 2.2 2.5  !9.23	0.28
assign  (resid	45 and name hn)  (resid 44 and name hd1#) 4.0 2.2 2.5
assign  (resid	45 and name hn)  (resid	35 and name hb)   4.0 2.2 1.0
assign  (resid	54 and name hn)  (resid	53 and name ha)   2.5 0.7 0.2	!9.22	5.8
assign  (resid	54 and name hn)  (resid	53 and name hg#)  2.5 0.7 1.7	!9.22	1.24
assign  (resid	54 and name hn)  (resid	54 and name ha#)  3.0 1.2 1.5	!9.22	4.12
assign  (resid	54 and name hn)  (resid	46 and name ha)   4.0 2.2 1.0	!9.22	5.59
assign  (resid	54 and name hn)  (resid 44 and name hd2#) 4.0 2.2 2.5	!9.23	0.28
assign  (resid	54 and name hn)  (resid 44 and name hd1#) 4.0 2.2 2.5
assign  (resid	34 and name hn)  (resid	33 and name ha)   2.5 0.7 0.2	!9.2	5.13
assign  (resid	34 and name hn)  (resid	34 and name ha)   3.0 1.2 0.5	!9.2	4.39
assign  (resid	34 and name hn)  (resid	33 and name hb2)  4.0 2.2 1.0
assign  (resid	34 and name hn)  (resid	34 and name hb)   3.0 1.2 0.5	!9.2	2.02
assign  (resid	34 and name hn)  (resid	34 and name hg1#) 3.0 1.2 1.5	!9.2	1.55
assign  (resid	34 and name hn)  (resid	34 and name hd#)  4.0 2.2 2.5	!9.2	0.59
assign  (resid	34 and name hn)  (resid	34 and name hg2#) 4.0 2.2 2.5
assign  (resid	34 and name hn)  (resid	35 and name hg2#) 4.0 2.2 2.5
assign  (resid	55 and name hn)  (resid	23 and name ha)   2.5 0.7 0.2	!9.1	5.57
assign  (resid	55 and name hn)  (resid	55 and name ha)   3.0 1.2 0.5	!9.1	5.44
assign  (resid	55 and name hn)  (resid	54 and name ha#)  2.5 0.7 1.2	!9.1	4.12
assign  (resid	55 and name hn)  (resid	55 and name hb1)  3.0 1.2 0.5	!9.1	3.11
assign  (resid	55 and name hn)  (resid	55 and name hb2)  3.0 1.2 0.5	!9.1	3.15
assign  (resid	55 and name hn)  (resid	44 and name hg)   4.0 2.2 1.0
assign  (resid	29 and name hn)  (resid	28 and name ha)	  2.5 0.7 0.2   !9.09	3.56
assign  (resid	29 and name hn)  (resid	29 and name ha#)  3.0 1.2 1.5	!9.09	4.55
assign  (resid	29 and name hn)  (resid	12 and name hb#)  3.0 1.2 2.0	!9.09	1.83
assign  (resid	21 and name hn)  (resid	21 and name ha)   3.0 1.2 0.5	!8.99	4.44
assign  (resid	21 and name hn)  (resid	21 and name hb1)  3.0 1.2 0.5	!8.99	2.25
assign  (resid	21 and name hn)  (resid	21 and name hb2)  3.0 1.2 0.5	!8.99	2.31
assign  (resid	21 and name hn)  (resid	21 and name hg#)  4.0 2.2 2.0	!8.99	2.50
assign  (resid	21 and name hn)  (resid	20 and name hg#)  3.0 1.2 2.0
assign  (resid	44 and name hn)  (resid	43 and name hb2)  3.0 1.2 0.5	!8.99	2.97
assign  (resid	44 and name hn)  (resid	43 and name hb1)  3.0 1.2 0.5	!8.98	3.08
assign  (resid	44 and name hn)  (resid	44 and name ha)	  3.0 1.2 0.5   !8.98	4.14
assign  (resid	44 and name hn)  (resid	44 and name hb#)  3.0 1.2 1.5
assign  (resid	44 and name hn)  (resid	44 and name hg)	  4.0 2.2 1.0
assign  (resid	44 and name hn)  (resid	43 and name ha)   2.5 0.7 0.2	!8.98	5.6
assign  (resid	44 and name hn)  (resid	35 and name hb)   3.0 1.2 0.5	!8.98	1.79
assign  (resid	44 and name hn)  (resid	34 and name hg2#) 4.0 2.2 2.5
assign  (resid	47 and name hn)  (resid	46 and name ha)	  2.5 0.7 0.2   !8.98	5.6
assign  (resid	47 and name hn)  (resid	46 and name hb1)  4.0 2.2 1.0 
assign  (resid	47 and name hn)  (resid	47 and name hb1)  4.0 2.2 1.0  	!8.97	4.07
assign  (resid	47 and name hn)  (resid	47 and name hb2)  3.0 1.2 0.5	!8.97	4.17
assign  (resid	47 and name hn)  (resid	53 and name ha)   4.0 2.2 1.0   !8.97	5.81
assign  (resid	47 and name hn)  (resid	32 and name hd2#)  4.0 2.2 2.5
assign  (resid	48 and name hn)  (resid	48 and name ha)   3.0 1.2 0.5	!8.97	4.39
assign  (resid	48 and name hn)  (resid	32 and name ha)   4.0 2.2 1.0	!8.97	5.17
assign  (resid	48 and name hn)  (resid	48 and name hd1#) 4.0 2.2 2.5
assign  (resid	48 and name hn)  (resid	48 and name hd2#) 4.0 2.2 2.5
assign  (resid	48 and name hn)  (resid	48 and name hg)   3.0 1.2 0.5
assign  (resid	48 and name hn)  (resid	48 and name hb#)  3.0 1.2 1.5
assign  (resid	62 and name hn)  (resid	61 and name ha)   2.5 0.7 0.2 	!8.89	5.53
assign  (resid	62 and name hn)  (resid	62 and name ha)   4.0 2.2 1.0	!8.89	5.21
assign  (resid	62 and name hn)  (resid	61 and name hb)   3.0 1.2 0.5	!8.89	2.23
assign  (resid	62 and name hn)  (resid	62 and name hb#)  3.0 1.2 2.0   !8.89	1.52
assign  (resid	62 and name hn)  (resid	10 and name hb1)  4.0 2.2 1.0	!8.89	2.95
assign  (resid	62 and name hn)  (resid	61 and name hg1#) 4.0 2.2 2.5 	!8.89	0.72
assign  (resid  62 and name hn)  (resid 61 and name hg2#) 4.0 2.2 2.5	!8.89	0.56
assign  (resid	35 and name hn)  (resid	34 and name ha)   2.5 0.7 0.2	!8.84	4.39
assign  (resid	35 and name hn)  (resid	35 and name ha)   4.0 2.2 1.0	!8.84	4.08
assign  (resid	35 and name hn)  (resid	45 and name hb#)  4.0 2.2 2.5  	!8.84	1.36
assign  (resid	35 and name hn)  (resid	45 and name ha)   3.0 1.2 0.5	!8.83	5.49
assign  (resid  35 and name hn)  (resid 35 and name hg2#) 3.0 1.2 2.0 	!8.83	0.87
assign  (resid  35 and name hn)  (resid 34 and name hg2#) 3.0 1.2 2.0 	!8.83	0.54
assign  (resid  35 and name hn)  (resid 34 and name hd#)  4.0 2.2 2.5
assign  (resid  35 and name hn)  (resid 44 and name hd2#) 4.0 2.2 2.5
assign  (resid	27 and name hn)  (resid	26 and name ha)	  2.5 0.7 0.2   !8.78	5.22
assign  (resid	27 and name hn)  (resid	26 and name hb1)  3.0 1.2 0.5	!8.78	3.25
assign  (resid	27 and name hn)  (resid	26 and name hb2)  3.0 1.2 0.5	!8.77	3.03
assign  (resid	27 and name hn)  (resid	27 and name hb2)  3.0 1.2 0.5	!8.77	1.95
assign  (resid	27 and name hn)  (resid	27 and name hb1)  4.0 2.2 1.0	!8.77	2.08
assign  (resid	24 and name hn)  (resid	23 and name hb2)  4.0 2.2 1.0 	!8.76	3.3
assign  (resid	24 and name hn)  (resid	23 and name hb1)  3.0 1.2 0.5	!8.75	3.09
assign  (resid	24 and name hn)  (resid	23 and name ha)   3.0 1.2 0.5	!8.76	5.57
assign  (resid	24 and name hn)  (resid	54 and name ha#)  4.0 2.2 2.0	!8.75	4.14
assign  (resid	24 and name hn)  (resid	24 and name hb2)  3.0 1.2 0.5	!8.75	1.92
assign  (resid	16 and name hn)  (resid	15 and name hb2)  4.0 2.2 1.0
assign  (resid	16 and name hn)  (resid	15 and name hb1)  4.0 2.2 1.0
assign  (resid	16 and name hn)  (resid	16 and name hb#)  4.0 2.2 2.0
!assign  (resid	16 and name hn)  (resid	14 and name hb2)  3.0 1.2 0.5
assign  (resid	16 and name hn)  (resid	12 and name hb#)  4.0 2.2 2.5
assign  (resid	26 and name hn)  (resid	26 and name ha)   3.0 1.2 0.5	!8.74	5.23
assign  (resid	26 and name hn)  (resid	26 and name hb1)  4.0 2.2 1.0	!8.74	3.26
assign  (resid	26 and name hn)  (resid	25 and name hb2)  3.0 1.2 0.5   !8.73	4.17
assign  (resid	26 and name hn)  (resid	25 and name hb1)  4.0 2.2 1.0	!8.73	4.01
assign  (resid	53 and name hn)  (resid	52 and name ha)   2.5 0.7 0.2	!8.73	4.62
assign  (resid	53 and name hn)  (resid	53 and name ha)   3.0 1.2 0.5	!8.72	5.8
assign  (resid	53 and name hn)  (resid	53 and name hb)   3.0 1.2 0.5	!8.72	4.1
assign  (resid	53 and name hn)  (resid	52 and name hg#)  4.0 2.2 2.0	!8.72	2.53
assign  (resid	53 and name hn)  (resid	52 and name hb1)  3.0 1.2 0.5
assign  (resid	53 and name hn)  (resid	52 and name hb2)  4.0 2.2 1.0
assign  (resid	53 and name hn)  (resid	53 and name hg#)  4.0 2.2 2.5
assign  (resid	53 and name hn)  (resid	24 and name hd1#) 4.0 2.2 2.5
assign  (resid	53 and name hn)  (resid	24 and name hd2#) 4.0 2.2 2.5
assign  (resid	41 and name hn)  (resid	40 and name ha2)  3.0 1.2 0.5	!8.69	4.13
assign  (resid	41 and name hn)  (resid	40 and name ha1)  3.0 1.2 0.5	!8.69	4.42
assign  (resid	41 and name hn)  (resid	41 and name ha)   3.0 1.2 0.5	!8.69	4.5
assign  (resid	41 and name hn)  (resid	41 and name hb#)  3.0 1.2 1.5
assign  (resid	12 and name hn)  (resid	11 and name ha)   2.5 0.7 0.2	!8.65	5.18
assign  (resid	12 and name hn)  (resid	11 and name hb)   4.0 2.2 1.0
assign  (resid	12 and name hn)  (resid	12 and name hb#)  2.5 0.7 1.7
assign  (resid	39 and name hn)  (resid	39 and name ha)   3.0 1.2 0.5	!8.62	4.7
assign  (resid	39 and name hn)  (resid	39 and name hb1)  3.0 1.2 0.5	!8.62	2.33
assign  (resid	39 and name hn)  (resid	39 and name hb2)  3.0 1.2 0.5	!8.62	2.43
assign  (resid	39 and name hn)  (resid	38 and name hb)   4.0 2.2 1.0	!8.62	4.34
assign  (resid	39 and name hn)  (resid	38 and name ha)   3.0 1.2 0.5	!8.61	4.04
assign  (resid	39 and name hn)  (resid	38 and name hg#)  4.0 2.2 2.5
assign  (resid	39 and name hn)  (resid	39 and name hg#)  4.0 2.2 2.0
!assign  (resid	8 and name hn)  (resid	8 and name ha)    4.0 2.2 1.0	!8.57	4.6
!assign  (resid	8 and name hn)  (resid	7 and name ha)    2.5 0.7 0.2	!8.57	4.36
!assign  (resid	8 and name hn)  (resid	7 and name hb)    4.0 2.2 1.0
!assign  (resid	8 and name hn)  (resid	7 and name hg1#)  4.0 2.2 2.5
!assign  (resid	8 and name hn)  (resid	7 and name hg2#)  4.0 2.2 2.5
assign  (resid	20 and name hn)  (resid	18 and name hb2)  4.0 2.2 1.0	!8.52	3.76
assign  (resid	20 and name hn)  (resid	18 and name hb1)  4.0 2.2 1.0	!8.51	3.95
assign  (resid	20 and name hn)  (resid	19 and name hd#)  4.0 2.2 2.0   !8.52	3.3
assign  (resid	20 and name hn)  (resid	19 and name hb1)  4.0 2.2 1.0
assign  (resid	20 and name hn)  (resid	19 and name hb2)  4.0 2.2 1.0
assign  (resid	20 and name hn)  (resid	19 and name ha)   3.0 1.2 0.5	!8.51	4.6
assign  (resid	20 and name hn)  (resid	18 and name ha)   4.0 2.2 1.0	!8.51	4.2
assign  (resid	20 and name hn)  (resid	20 and name hg#)  3.0 1.2 2.0  	!8.51	1.18
assign  (resid	20 and name hn)  (resid	20 and name hb)   4.0 2.2 1.0	!8.5	4.4
assign  (resid	49 and name hn)  (resid	49 and name hb)   3.0 1.2 0.5	!8.5	4.10
assign  (resid	49 and name hn)  (resid	49 and name ha)   4.0 2.2 1.0
assign  (resid	49 and name hn)  (resid	48 and name ha)   4.0 2.2 1.0
assign  (resid	49 and name hn)  (resid	48 and name hd2#) 4.0 2.2 2.5
assign  (resid	49 and name hn)  (resid	48 and name hg)   4.0 2.2 1.0
assign  (resid	49 and name hn)  (resid	49 and name hg#)  4.0 2.2 2.5
assign  (resid	40 and name hn)  (resid	40 and name ha#)  3.0 1.2 1.5	!8.5	4.4
assign  (resid	40 and name hn)  (resid	39 and name ha)   3.0 1.2 0.5	!8.49	4.69
assign  (resid	40 and name hn)  (resid	39 and name hb2)  3.0 1.2 0.5
assign  (resid	30 and name hn)  (resid	30 and name ha)   3.0 1.2 0.5	!8.47	4.25
assign  (resid	30 and name hn)  (resid	30 and name hb1)  2.5 0.7 0.2	!8.47	2.58
assign  (resid	30 and name hn)  (resid	30 and name hb2)  3.0 1.2 0.5	!8.47	2.25
assign  (resid	30 and name hn)  (resid	30 and name hg#)  3.0 1.2 1.5
assign  (resid	30 and name hn)  (resid	29 and name ha#)  3.0 1.2 1.5	!8.47	3.56
assign  (resid	30 and name hn)  (resid	12 and name hb#)  2.5 0.7 1.7	!8.47	1.83
assign  (resid	15 and name hn)  (resid	15 and name hb2)  3.0 1.2 0.5  	!8.41	2.75
assign  (resid	15 and name hn)  (resid	15 and name hb1)  4.0 2.2 1.0	!8.41	2.90
assign  (resid	15 and name hn)  (resid	14 and name hb2)  4.0 2.2 1.0	!8.41	2.58
assign  (resid	15 and name hn)  (resid	14 and name hb1)  3.0 1.2 0.5	!8.4	3.43
assign  (resid	15 and name hn)  (resid	28 and name hb2)  4.0 2.2 1.0
assign  (resid	15 and name hn)  (resid	28 and name hb1)  4.0 2.2 1.0
assign  (resid	50 and name hn)  (resid	49 and name ha)   4.0 2.2 1.0	!8.41	4.39
assign  (resid	50 and name hn)  (resid	50 and name hg#)  3.0 1.2 2.0	!8.41	
!assign  (resid	 6 and name hn)  (resid	 6 and name ha#)  2.5 0.7 1.2   !8.39	4.08
assign  (resid	18 and name hn)  (resid	17 and name ha)   2.5 0.7 0.2	!8.27	4.4
assign  (resid	18 and name hn)  (resid	17 and name hb1)  4.0 2.2 1.0
assign  (resid	18 and name hn)  (resid	17 and name hb2)  4.0 2.2 1.0
assign  (resid	18 and name hn)  (resid	17 and name hg#)  4.0 2.2 2.0
assign  (resid	18 and name hn)  (resid	18 and name hb1)  3.0 1.2 0.5	!8.27	3.96
assign  (resid	18 and name hn)  (resid	18 and name hb2)  3.0 1.2 0.5	!8.27	3.75
assign  (resid	18 and name hn)  (resid	18 and name ha)   3.0 1.2 0.5	!8.27	4.19
assign  (resid	18 and name hn)  (resid	25 and name ha)   4.0 2.2 1.0
!assign  (resid	31 and name hn)  (resid	31 and name hd#)   4.0 2.2 2.0	!8.2	3.3
assign  (resid	31 and name hn)  (resid	31 and name ha)   4.0 2.2 1.0	!8.2	5.19
assign  (resid	31 and name hn)  (resid	31 and name hb2)  2.5 0.7 0.2	!8.2	1.97
assign  (resid	31 and name hn)  (resid	31 and name hb1)  4.0 2.2 1.0
assign  (resid	31 and name hn)  (resid	31 and name hg1)  4.0 2.2 1.0	!8.2
assign  (resid	31 and name hn)  (resid	31 and name hg2)  4.0 2.2 1.0	
assign  (resid	31 and name hn)  (resid	30 and name ha)	  2.5 0.7 0.2   !8.2	4.26
assign  (resid	31 and name hn)  (resid	30 and name hb2)  4.0 2.2 1.0   !8.2
assign  (resid	31 and name hn)  (resid	30 and name hb1)  4.0 2.2 1.0
assign  (resid	31 and name hn)  (resid	30 and name hg1)  4.0 2.2 1.0
assign  (resid	31 and name hn)  (resid	30 and name hg2)  4.0 2.2 1.0	
assign  (resid	25 and name hn)  (resid	25 and name hb2)  3.0 1.2 0.5	!8.13	4.16
assign  (resid	25 and name hn)  (resid	25 and name hb1)  3.0 1.2 0.5	!8.12	4.00
assign  (resid	25 and name hn)  (resid	24 and name ha)   2.5 0.7 0.2	!8.12	4.73
assign  (resid	25 and name hn)  (resid	24 and name hb1)  4.0 2.2 1.0	!8.12
assign  (resid	25 and name hn)  (resid	24 and name hb2)  4.0 2.2 1.0
assign  (resid	25 and name hn)  (resid	24 and name hg)   4.0 2.2 1.0
assign  (resid	25 and name hn)  (resid	24 and name hd2#) 3.0 1.2 2.0	
assign  (resid	59 and name hn)  (resid	57 and name ha)   4.0 2.2 1.0	!8.12	3.75
assign  (resid	59 and name hn)  (resid	59 and name hb2)  3.0 1.2 0.5	!8.12	2.81
assign  (resid	59 and name hn)  (resid	58 and name ha)   4.0 2.2 1.0
assign  (resid	59 and name hn)  (resid	59 and name hb1)  4.0 2.2 1.0
assign  (resid	59 and name hn)  (resid	57 and name hb1)  4.0 2.2 1.0
assign  (resid	59 and name hn)  (resid	57 and name hb2)  4.0 2.2 1.0
!assign  (resid	7 and name hn)  (resid	7 and name ha)    4.0 2.2 1.0	!8.1	4.36
!assign  (resid	7 and name hn)  (resid	7 and name hb)    3.0 1.2 0.5	!8.1	
!assign  (resid	7 and name hn)  (resid  6 and name ha)	  3.0 1.2 0.5   !8.1	4.1
!assign  (resid	3 and name hn)  (resid	3 and name ha)	  4.0 2.2 1.0   !8.06	4.54
!assign  (resid	60 and name hn)  (resid	60 and name hb1)  4.0 2.2 1.0	!8.04	3.74
assign  (resid	60 and name hn)  (resid	60 and name hb#)  3.0 1.2 1.5	!8.03	3.49
assign  (resid	60 and name hn)  (resid	61 and name hg1#) 4.0 2.2 2.5
assign  (resid	60 and name hn)  (resid	61 and name hg2#) 4.0 2.2 2.5
assign  (resid	60 and name hn)  (resid	57 and name hb#)  4.0 2.2 2.0
assign  (resid	38 and name hn)  (resid	38 and name hb)   3.0 1.2 0.5	!8.02	4.32
assign  (resid	38 and name hn)  (resid	38 and name ha)   3.0 1.2 0.5	!8.02	4.04
assign  (resid	38 and name hn)  (resid	37 and name ha)   3.0 1.2 0.5	!8.02	4.6
assign  (resid	38 and name hn)  (resid	37 and name hb1)  4.0 2.2 1.0
assign  (resid	38 and name hn)  (resid	37 and name hb2)  4.0 2.2 1.0
assign  (resid	38 and name hn)  (resid	38 and name hg#)  3.0 1.2 2.0	!8.02	1.14
assign  (resid	23 and name hn)  (resid	23 and name hb2)  3.0 1.2 0.5	!8.01	3.30
assign  (resid	23 and name hn)  (resid	23 and name ha)   3.0 1.2 0.5	!8.01	5.58
assign  (resid	23 and name hn)  (resid	22 and name hg#)  4.0 2.2 2.5
assign  (resid	23 and name hn)  (resid	20 and name hg#)  4.0 2.2 2.5
assign  (resid	64 and name hn)  (resid	64 and name ha)   3.0 1.2 0.5	!7.92	4.22
assign  (resid	64 and name hn)  (resid	10 and name ha)   3.0 1.2 0.5	!7.92	5.09
assign  (resid	64 and name hn)  (resid	64 and name hb1)  3.0 1.2 0.5  	!7.92	3.83
assign  (resid	64 and name hn)  (resid	64 and name hb2)  4.0 2.2 1.0	!7.92	3.67
assign  (resid	64 and name hn)  (resid	63 and name hb1)  4.0 2.2 1.0	!7.92	2.03
assign  (resid	64 and name hn)  (resid	63 and name hb2)  4.0 2.2 1.0	!7.92	1.9
assign  (resid	64 and name hn)  (resid	63 and name ha)   2.5 0.7 0.2	!7.92	3.67
assign  (resid	51 and name hn)  (resid	50 and name ha)   4.0 2.2 1.0	!7.9	4.6
assign  (resid	51 and name hn)  (resid	50 and name hg#)  4.0 2.2 2.5
assign  (resid	51 and name hn)  (resid	52 and name hg#)  4.0 2.2 2.0
assign  (resid	51 and name hn)  (resid	51 and name ha1)  3.0 1.2 0.5	!7.89	4.38
assign  (resid	51 and name hn)  (resid	51 and name ha2)  3.0 1.2 0.5	!7.89	3.91
assign  (resid	42 and name hn)  (resid	41 and name ha)   4.0 2.2 1.0	!7.89	4.5
assign  (resid	42 and name hn)  (resid	41 and name hb#)  4.0 2.2 2.0
assign  (resid	42 and name hn)  (resid	42 and name ha)   4.0 2.2 1.0	!7.88	5.32
assign  (resid	42 and name hn)  (resid	42 and name hb2)  3.0 1.2 0.5 	!7.88	3.05
assign  (resid	42 and name hn)  (resid	42 and name hb1)  4.0 2.2 1.0
assign  (resid	22 and name hn)  (resid	21 and name ha)   3.0 1.2 0.5	!7.87	4.44
assign  (resid	22 and name hn)  (resid	21 and name hb1)  4.0 2.2 1.0
assign  (resid	22 and name hn)  (resid	21 and name hb2)  4.0 2.2 1.0
assign  (resid	22 and name hn)  (resid	21 and name hg#)  4.0 2.2 2.0
assign  (resid	22 and name hn)  (resid	22 and name hg#)  3.0 1.2 2.0	!7.87	
assign  (resid	22 and name hn)  (resid	20 and name hg#)  3.0 1.2 2.0	!7.87	
assign  (resid	36 and name hn)  (resid	45 and name ha)   4.0 2.2 1.0	!7.85	5.49
assign  (resid	36 and name hn)  (resid	44 and name hd2#) 4.0 2.2 2.5
assign  (resid	36 and name hn)  (resid	44 and name hb#)  4.0 2.2 2.0
assign  (resid	36 and name hn)  (resid	35 and name hg1#) 4.0 2.2 2.5	!7.85	0.96
assign  (resid	36 and name hn)  (resid	35 and name hg2#) 4.0 2.2 2.5	!7.85	0.87
assign  (resid	36 and name hn)  (resid	35 and name hb)   3.0 1.2 0.5	!7.85	1.79
assign  (resid	36 and name hn)  (resid	35 and name ha)   3.0 1.2 0.5	!7.85	4.08
assign  (resid	36 and name hn)  (resid	34 and name hg2#) 3.0 1.2 2.0	!7.85	0.54
assign  (resid	36 and name hn)  (resid	36 and name hb1)  3.0 1.2 0.5	!7.85	2.98
assign  (resid	36 and name hn)  (resid	36 and name hb2)  3.0 1.2 0.5	!7.85	2.91
assign  (resid	58 and name hn)  (resid	42 and name ha)   4.0 2.2 1.0	!7.78	5.33
assign  (resid	58 and name hn)  (resid	58 and name ha)   3.0 1.2 0.5
assign  (resid	58 and name hn)  (resid	58 and name hb1)  3.0 1.2 0.5
assign  (resid	58 and name hn)  (resid	58 and name hb2)  3.0 1.2 0.5
assign  (resid	58 and name hn)  (resid	57 and name ha)   2.5 0.7 0.2
assign  (resid	58 and name hn)  (resid	57 and name hb1)  4.0 2.2 1.0
assign  (resid	58 and name hn)  (resid	57 and name hb2)  4.0 2.2 1.0
assign  (resid	58 and name hn)  (resid	57 and name hg#)  4.0 2.2 2.0
assign  (resid	52 and name hn)  (resid	51 and name ha1)  4.0 2.2 1.0	!7.6	3.89
assign  (resid	52 and name hn)  (resid	51 and name ha2)  4.0 2.2 1.0  	!7.6	4.36
assign  (resid	52 and name hn)  (resid	52 and name ha)   3.0 1.2 0.5	!7.6	4.62
assign  (resid	52 and name hn)  (resid	52 and name hb1)  4.0 2.2 1.0	!7.6	2.30
assign  (resid	52 and name hn)  (resid	52 and name hb2)  3.0 1.2 0.5	!7.6	2.03
assign  (resid	52 and name hn)  (resid	52 and name hg#)  3.0 1.2 1.5 	!7.6	2.53
assign  (resid	52 and name hn)  (resid	50 and name hg#)  4.0 2.2 2.5
assign  (resid	17 and name hn)  (resid	16 and name ha)   2.5 0.7 0.2	!7.57	4.62
assign  (resid	17 and name hn)  (resid	16 and name hb#)  4.0 2.2 2.0
assign  (resid	17 and name hn)  (resid	17 and name hb2)  4.0 2.2 1.0
assign  (resid	17 and name hn)  (resid	17 and name hg#)  4.0 2.2 2.0
assign  (resid	17 and name hn)  (resid	17 and name ha)   4.0 2.2 1.0	!7.57	4.4
assign  (resid	17 and name hn)  (resid	17 and name hb1)  3.0 1.2 0.5	!7.57	1.74
assign  (resid	61 and name hn)  (resid	61 and name ha)   3.0 1.2 0.5	!7.27	5.52
assign  (resid	61 and name hn)  (resid	61 and name hb)   4.0 2.2 1.0
assign  (resid	61 and name hn)  (resid	61 and name hg1#) 2.5 0.7 1.7	!7.27	0.73
assign  (resid	61 and name hn)  (resid	61 and name hg2#) 4.0 2.2 2.5	!7.27	0.57
assign  (resid	61 and name hn)  (resid	62 and name hb#)  4.0 2.2 2.5
assign  (resid	14 and name hn)  (resid	14 and name hb2)  3.0 1.2 0.5	!7.29	2.58
assign  (resid	14 and name hn)  (resid	14 and name hb1)  4.0 2.2 1.0	!7.29	3.43
assign  (resid	14 and name hn)  (resid	13 and name ha )  4.0 2.2 1.0
assign  (resid	14 and name hn)  (resid	13 and name hb1 ) 4.0 2.2 1.0
assign  (resid	14 and name hn)  (resid	12 and name hb#)  4.0 2.2 2.5


!hn-hn NOEs
assign (resid	11 and name hn)  (resid  64 and name hn)  4.0 2.2 1.0	!9.62	7.95
assign (resid	32 and name hn)  (resid  10 and name hn)  4.0 2.2 1.0	!9.31	9.52
assign (resid	43 and name hn)  (resid  56 and name hn)  4.0 2.2 1.0	!9.27	9.62
assign (resid	47 and name hn)  (resid  33 and name hn)  4.0 2.2 1.0	!8.98	9.26
assign (resid	47 and name hn)  (resid  52 and name hn)  4.0 2.2 1.0	!8.98	7.62
assign (resid	62 and name hn)  (resid  11 and name hn)  3.0 1.2 0.5  	!8.90	9.64
assign (resid	35 and name hn)  (resid  46 and name hn)  4.0 2.2 1.0	!8.84	9.29
assign (resid	55 and name hn)  (resid  24 and name hn)  4.0 2.2 1.0	!8.76	9.13
assign (resid	20 and name hn)  (resid  19 and name hn)  3.0 1.2 0.5	!8.52	9.85
assign (resid	49 and name hn)  (resid  48 and name hn)  3.0 1.2 0.5	!8.50	9.00
assign (resid	30 and name hn)  (resid  29 and name hn)  3.0 1.2 0.5	!8.47	9.12
assign (resid	31 and name hn)  (resid  30 and name hn)  4.0 2.2 1.0	!8.20	8.50
assign (resid	38 and name hn)  (resid  39 and name hn)  3.0 1.2 0.5	!8.02	8.65
assign (resid	50 and name hn)  (resid  51 and name hn)  3.0 1.2 0.5	!7.90	8.43
assign (resid	42 and name hn)  (resid  41 and name hn)  3.0 1.2 0.5	!7.88	8.72
assign (resid	22 and name hn)  (resid  21 and name hn)  3.0 1.2 0.5	!7.86	9.01
assign (resid	22 and name hn)  (resid  23 and name hn)  4.0 2.2 1.0	!7.86	8.03
assign (resid	24 and name hn)  (resid  23 and name hn)  4.0 2.2 1.0
assign (resid	24 and name hn)  (resid  54 and name hn)  4.0 2.2 1.0
assign (resid	36 and name hn)  (resid  35 and name hn)  3.0 1.2 0.5  	!7.85	8.87
assign (resid	36 and name hn)  (resid  44 and name hn)  4.0 2.2 1.0
assign (resid	58 and name hn)  (resid  59 and name hn)  4.0 2.2 1.0	!7.78	8.15
assign (resid	61 and name hn)  (resid  59 and name hn)  4.0 2.2 1.0
assign (resid	61 and name hn)  (resid  60 and name hn)  3.0 1.2 0.5	!7.26	8.05
assign (resid	28 and name hn)  (resid  15 and name hn)  4.0 2.2 1.0
assign (resid	13 and name hn)  (resid  14 and name hn)  3.0 1.2 0.5
assign (resid	14 and name hn)  (resid  15 and name hn)  4.0 2.2 1.0
assign (resid	16 and name hn)  (resid  17 and name hn)  4.0 2.2 1.0
!assign (resid	 8 and name hn)  (resid   7 and name hn)  4.0 2.2 1.0


!ha-ha NOEs
assign (resid	34 and name ha)  (resid  45 and name ha)  3.0 1.2 0.3
assign (resid	46 and name ha)  (resid  53 and name ha)  2.5 0.7 0.2
assign (resid	44 and name ha)  (resid  55 and name ha)  2.5 0.7 0.2
assign (resid	54 and name ha#) (resid  23 and name ha)  4.0 2.2 2.0
assign (resid	61 and name ha)  (resid  12 and name ha)  2.5 0.7 0.2
assign (resid	43 and name ha)  (resid  37 and name ha)  4.0 2.2 1.0
assign (resid	42 and name ha)  (resid  57 and name ha)  4.0 2.2 1.0
assign (resid	63 and name ha)  (resid  10 and name ha)  3.0 1.2 0.3
assign (resid	25 and name ha)  (resid  17 and name ha)  4.0 2.2 1.0
assign (resid	27 and name ha)  (resid  15 and name ha)  2.5 0.7 0.2
assign (resid	28 and name ha)  (resid  14 and name ha)  4.0 2.2 1.0


!ha NOEs
assign (resid	62 and name ha)  (resid  63 and name hd1)  2.5 0.7 0.2  !5.21	4.01
assign (resid	62 and name ha)  (resid  63 and name hd2)  2.5 0.7 0.2  !5.21	3.78
assign (resid	56 and name ha)  (resid  56 and name hg2#) 3.0 1.2 1.8	!5.22	1.13
assign (resid	56 and name ha)  (resid  56 and name hb)   3.0 1.2 0.3	!5.22	1.67
assign (resid	56 and name ha)  (resid  57 and name hd#)  3.0 1.2 1.3
assign (resid	61 and name ha)  (resid  13 and name hg)   3.0 1.2 0.3
assign (resid	61 and name ha)  (resid  61 and name hg1#) 4.0 2.2 2.5
assign (resid	61 and name ha)  (resid  61 and name hg2#) 2.5 0.7 1.7
assign (resid	61 and name ha)  (resid  61 and name hb)   2.5 0.7 0.2
assign (resid	45 and name ha)  (resid  45 and name hb#)  2.5 0.7 1.7
assign (resid	45 and name ha)  (resid  35 and name hg2#) 3.0 1.2 1.8
assign (resid	45 and name ha)  (resid  34 and name hd#)  3.0 1.2 1.8
assign (resid	45 and name ha)  (resid  44 and name hd1#) 4.0 2.2 2.5
assign (resid	45 and name ha)  (resid  44 and name hd2#) 4.0 2.2 2.5
assign (resid	45 and name ha)  (resid  44 and name hg )  4.0 2.2 1.0
assign (resid	45 and name ha)  (resid  44 and name hb#)  4.0 2.2 2.0
assign (resid	53 and name ha)  (resid  53 and name hg#)  3.0 1.2 1.8
assign (resid	53 and name ha)  (resid  46 and name hb1)  4.0 2.2 1.0
assign (resid	53 and name ha)  (resid  46 and name hb2)  4.0 2.2 1.0
assign  (resid	53 and name ha)  (resid  44 and name hd1#) 4.0 2.2 2.5
assign  (resid	53 and name ha)  (resid  44 and name hd2#) 4.0 2.2 2.5
assign  (resid	53 and name ha)  (resid  24 and name hd1#) 4.0 2.2 2.5
assign  (resid	53 and name ha)  (resid  24 and name hd2#) 4.0 2.2 2.5
assign (resid	 9 and name ha)  (resid   9 and name hg#)  3.0 1.2 1.8
assign (resid	13 and name ha)  (resid  13 and name hb1)  3.0 1.2 0.3
assign (resid	17 and name ha)  (resid  17 and name hb1)  3.0 1.2 0.3
assign (resid	17 and name ha)  (resid  17 and name hb2)  3.0 1.2 0.3
assign (resid	23 and name ha)  (resid  23 and name hb1)  3.0 1.2 0.3	!5.58 	3.09
assign (resid	23 and name ha)  (resid  24 and name hd1#) 4.0 2.2 2.5
assign (resid	23 and name ha)  (resid  24 and name hd2#) 4.0 2.2 2.5
assign (resid	23 and name ha)  (resid  53 and name hg#)  4.0 2.2 2.5
assign (resid	24 and name ha)  (resid  24 and name hd1#) 4.0 2.2 2.5
assign (resid	24 and name ha)  (resid  24 and name hd2#) 4.0 2.2 2.5
assign (resid	43 and name ha)  (resid  43 and name hb1)  3.0 1.2 0.3  !5.60	3.10
assign (resid	46 and name ha)  (resid  46 and name hb2)  3.0 1.2 0.3  !5.60	2.96
assign (resid	32 and name ha)  (resid  32 and name hb1)  3.0 1.2 0.3  !5.17	1.20
assign (resid	32 and name ha)  (resid  32 and name hd2#) 3.0 1.2 1.8
assign (resid	32 and name ha)  (resid  32 and name hd1#) 4.0 2.2 2.5
assign (resid	38 and name ha)  (resid  38 and name hb)   3.0 1.2 0.3  !4.04	4.30
assign (resid	49 and name ha)  (resid  49 and name hg#)  3.0 1.2 1.8  !4.40	1.44
assign (resid	50 and name ha)  (resid  50 and name hg#)  3.0 1.2 1.8  !4.60	1.43
assign (resid	22 and name ha)  (resid  22 and name hg#)  3.0 1.2 1.8  !4.72	1.35
assign (resid	55 and name ha)  (resid  55 and name hb2)  3.0 1.2 0.3  !5.46	3.11
assign (resid	55 and name ha)  (resid  44 and name hd2#) 4.0 2.2 2.5
assign (resid	55 and name ha)  (resid  44 and name hd1#) 4.0 2.2 2.5
assign (resid	44 and name ha)  (resid  44 and name hd1#) 3.0 1.2 1.8
assign (resid	64 and name ha)  (resid  64 and name hb1)  3.0 1.2 0.3  !4.23	3.83
assign (resid	64 and name ha)  (resid  64 and name hb2)  3.0 1.2 0.3  !4.23	3.65
assign (resid	26 and name ha)  (resid  26 and name hb1)  2.5 0.7 0.2  !5.23	3.26
assign (resid	26 and name ha)  (resid  26 and name hb2)  2.5 0.7 0.2  !5.23	3.03
assign (resid	58 and name ha)  (resid  58 and name hb1)  3.0 1.2 0.3
assign (resid	58 and name ha)  (resid  58 and name hb2)  3.0 1.2 0.3
assign (resid	58 and name ha)  (resid  61 and name hg1#) 3.0 1.2 1.8
assign (resid	58 and name ha)  (resid  56 and name hd#)  4.0 2.2 2.5
assign (resid	48 and name ha)  (resid  48 and name hd2#) 2.5 0.7 1.7
assign (resid	48 and name ha)  (resid  48 and name hg )  3.0 1.2 0.3
assign (resid	12 and name ha)  (resid  61 and name hg2#) 3.0 1.2 1.8
assign (resid	42 and name ha)  (resid  42 and name hb1)  3.0 1.2 0.3
!assign (resid	60 and name ha)  (resid  13 and name hb1)  3.0 1.2 0.3
assign (resid	60 and name ha)  (resid  13 and name hb#)  4.0 2.2 2.0
assign (resid	25 and name ha)  (resid  25 and name hb2)  3.0 1.2 0.3


!other NOEs
assign  (resid	32 and name hd1#) (resid  12 and name hb#)  3.0 1.2 3.3
assign  (resid	33 and name he21)  (resid 48 and name hd2#) 4.0 2.2 2.5
assign  (resid	33 and name he22)  (resid 48 and name hd2#) 4.0 2.2 2.5
assign  (resid  44 and name hd1#)  (resid 53 and name hg#)  3.0 1.2 3.3
!assign  (resid  36 and name hd2#)  (resid 44 and name hd2#) 4.0 2.2 3.5
!assign  (resid  36 and name hd2#)  (resid 44 and name hb#)  4.0 2.2 3.0


!Hydrogen-Bonds

assign (resid  56 and name  hn )  (resid  43 and name  o )   1.9 0.4 0.4
assign (resid  56 and name   n )  (resid  43 and name  o )   2.8 0.4 0.5
assign (resid  33 and name  hn )  (resid  46 and name  o )   1.9 0.4 0.4
assign (resid  33 and name   n )  (resid  46 and name  o )   2.8 0.4 0.5
assign (resid  46 and name  hn )  (resid  33 and name  o )   1.9 0.4 0.4
assign (resid  46 and name   n )  (resid  33 and name  o )   2.8 0.4 0.5
assign (resid  45 and name  hn )  (resid  54 and name  o )   1.9 0.4 0.4
assign (resid  45 and name   n )  (resid  54 and name  o )   2.8 0.4 0.5
assign (resid  54 and name  hn )  (resid  45 and name  o )   1.9 0.4 0.4
assign (resid  54 and name   n )  (resid  45 and name  o )   2.8 0.4 0.5
assign (resid  14 and name  hn )  (resid  60 and name  o )   1.9 0.4 0.4
assign (resid  14 and name   n )  (resid  60 and name  o )   2.8 0.4 0.5


!Additional NOEs for the cSH3-RAL9 complex
!RAL9 intramolecular NOEs
assign  (resid 71 and name ha)  (resid 71 and name hb#)  2.5 0.7 1.2
assign  (resid 71 and name ha)  (resid 71 and name hg#)  2.5 0.7 1.2
assign  (resid 72 and name ha)  (resid 72 and name hb#)  2.5 0.7 1.7
assign  (resid 73 and name hn)  (resid 72 and name ha)  2.5 0.7 0.2
assign  (resid 73 and name hn)  (resid 72 and name hb#) 3.0 1.2 2.0 
assign  (resid 73 and name hn)  (resid 73 and name hd1#) 4.0 2.2 2.5 
assign  (resid 73 and name hn)  (resid 73 and name hd2#) 4.0 2.2 2.5 
assign  (resid 73 and name ha)  (resid 73 and name hb#)  2.5 0.7 1.2
assign  (resid 73 and name hb1)  (resid 73 and name hd1#)  2.5 0.7 1.7
assign  (resid 73 and name hb2)  (resid 73 and name hd1#)  2.5 0.7 1.7
assign  (resid 73 and name hb1)  (resid 73 and name hd2#)  2.5 0.7 1.7
assign  (resid 73 and name hb2)  (resid 73 and name hd2#)  2.5 0.7 1.7
assign  (resid 73 and name ha)  (resid 74 and name hd1)  2.5 0.7 0.2
assign  (resid 73 and name ha)  (resid 74 and name hd2)  2.5 0.7 0.2
assign  (resid 73 and name hb1)  (resid 74 and name hd#) 3.0 1.2 1.3 
assign  (resid 73 and name hb2)  (resid 74 and name hd#) 3.0 1.2 1.3 
assign  (resid 74 and name ha)  (resid 74 and name hb1)  2.5 0.7 0.2
assign  (resid 74 and name ha)  (resid 74 and name hb2)  2.5 0.7 0.2
assign  (resid 74 and name ha)  (resid 75 and name hd1)  2.5 0.7 0.2
assign  (resid 74 and name ha)  (resid 75 and name hd2)  2.5 0.7 0.2
assign  (resid 74 and name hb1)  (resid 75 and name hd#) 3.0 1.2 1.3 
assign  (resid 74 and name hb2)  (resid 75 and name hd#) 3.0 1.2 1.3 
assign  (resid 74 and name hg1)  (resid 73 and name ha)  4.0 2.2 1.0
assign  (resid 74 and name hg2)  (resid 73 and name ha)  4.0 2.2 1.0
assign  (resid 76 and name hn)  (resid 75 and name ha)  2.5 0.7 0.2
assign  (resid 76 and name hn)  (resid 75 and name hb1)  4.0 2.2 1.0
assign  (resid 76 and name hn)  (resid 75 and name hb2)  4.0 2.2 1.0
assign  (resid 76 and name hn)  (resid 75 and name hg#)  4.0 2.2 2.0
assign  (resid 76 and name hn)  (resid 76 and name hd1#) 4.0 2.2 2.5 
assign  (resid 76 and name hn)  (resid 76 and name hd2#) 4.0 2.2 2.5 
assign  (resid 76 and name hn)  (resid 76 and name hb#)  2.5 0.7 1.2
assign  (resid 76 and name hn)  (resid 76 and name hg)  2.5 0.7 0.2
assign  (resid 76 and name hn)  (resid 76 and name ha)  4.0 2.2 1.0
assign  (resid 76 and name ha)  (resid 76 and name hg) 3.0 1.2 0.3 
assign  (resid 76 and name ha)  (resid 77 and name hd1)  2.5 0.7 0.2
assign  (resid 76 and name ha)  (resid 77 and name hd2)  2.5 0.7 0.2
assign  (resid 76 and name hb#)  (resid 77 and name hd1) 3.0 1.2 1.3 
assign  (resid 76 and name hb#)  (resid 77 and name hd2) 3.0 1.2 1.3 
!assign  (resid 77 and name hd1)  (resid 76 and name hd1#) 3.0 1.2 1.8 
!assign  (resid 77 and name hd1)  (resid 76 and name hd2#) 3.0 1.2 1.8 
assign  (resid 77 and name hg1)  (resid 76 and name ha) 4.0 2.2 1.0 
assign  (resid 77 and name hg2)  (resid 76 and name ha) 4.0 2.2 1.0 
assign  (resid 78 and name ha)  (resid 78 and name hb#)  2.5 0.7 1.2
assign  (resid 78 and name ha)  (resid 78 and name hg#)  2.5 0.7 1.2
assign  (resid 78 and name hn)  (resid 77 and name ha)  2.5 0.7 0.2
assign  (resid 78 and name hn)  (resid 78 and name ha)  3.0 1.2 0.5
assign  (resid 78 and name hn)  (resid 79 and name hn)  4.0 2.2 1.0
assign  (resid 78 and name hn)  (resid 77 and name hb1)  4.0 2.2 1.0
assign  (resid 78 and name hn)  (resid 77 and name hb2)  4.0 2.2 1.0
assign  (resid 78 and name hn)  (resid 78 and name hb#)  4.0 2.2 2.0
assign  (resid 79 and name hn)  (resid 78 and name hb1)  4.0 2.2 1.0
assign  (resid 79 and name hn)  (resid 78 and name hb2)  4.0 2.2 1.0
assign  (resid 79 and name hn)  (resid 79 and name hb1)  4.0 2.2 1.0
assign  (resid 79 and name hn)  (resid 79 and name hb2)  4.0 2.2 1.0
assign  (resid 79 and name hn)  (resid 78 and name ha)  3.0 1.2 0.5
assign  (resid 79 and name hn)  (resid 79 and name ha)  4.0 2.2 1.0


!RAL9 intermolecular NOEs
assign  (resid 73 and name hd2#)  (resid 42  and name hd1) 3.0 1.2 1.8  
assign  (resid 73 and name hd2#)  (resid 42  and name hz2) 4.0 2.2 2.5  
assign  (resid 73 and name ha)  (resid 41  and name hb#) 4.0 2.2 2.0 
assign  (resid 73 and name hg)  (resid 41  and name hb#) 4.0 2.2 2.0 
assign  (resid 71 and name hb#)  (resid 42 and name hd1)  3.0 1.2 1.3
!assign  (resid 71 and name hb2)  (resid 42 and name hd1)  4.0 2.2 1.0
assign  (resid 71 and name hg1)  (resid 42 and name hd1)  4.0 2.2 1.0
assign  (resid 71 and name hg2)  (resid 42 and name hd1)  4.0 2.2 1.0
assign  (resid 71 and name hg1)  (resid 42 and name hz2)  4.0 2.2 1.0
assign  (resid 71 and name hg2)  (resid 42 and name hz2)  4.0 2.2 1.0
assign  (resid 73 and name ha)  (resid 42 and name hz2)   3.0 1.2 0.3
assign  (resid 73 and name ha)  (resid 42 and name hh2)   4.0 2.2 1.0
assign  (resid 74 and name hd1)  (resid 42 and name hh2)  4.0 2.2 1.0
assign  (resid 74 and name hd2)  (resid 42 and name hh2)  4.0 2.2 1.0
assign  (resid 74 and name hd1)  (resid 42 and name hz2)  4.0 2.2 1.0
assign  (resid 74 and name hd2)  (resid 42 and name hz2)  3.0 1.2 0.3
assign  (resid 77 and name hg1)  (resid 14 and name hb#)  4.0 2.2 2.0
assign  (resid 77 and name hg2)  (resid 14 and name hb#)  4.0 2.2 2.0
assign  (resid 59 and name hn)  (resid 73 and name hd1#)  3.0 1.2 2.0
assign  (resid 59 and name hn)  (resid 73 and name hd2#)  3.0 1.2 2.0
assign  (resid 59 and name hb#)  (resid 73 and name hd1#)  4.0 2.2 3.0
assign  (resid 59 and name hb#)  (resid 76 and name hd2#)  4.0 2.2 3.0
assign  (resid 41 and name hb#)  (resid 73 and name hg)  4.0 2.2 2.0


!New H-bond constrains 
assign (resid  11 and name  hn )  (resid  62 and name  o )   1.9 0.4 0.4
assign (resid  11 and name   n )  (resid  62 and name  o )   2.8 0.4 0.5
assign (resid  32 and name  hn )  (resid  10 and name  o )   1.9 0.4 0.4
assign (resid  32 and name   n )  (resid  10 and name  o )   2.8 0.4 0.5
assign (resid  43 and name  hn )  (resid  56 and name  o )   1.9 0.4 0.4
assign (resid  43 and name   n )  (resid  56 and name  o )   2.8 0.4 0.5
assign (resid  16 and name  hn )  (resid  26 and name  o )   1.9 0.4 0.4
assign (resid  16 and name   n )  (resid  26 and name  o )   2.8 0.4 0.5
assign (resid  26 and name  hn )  (resid  16 and name  o )   1.9 0.4 0.4
assign (resid  26 and name   n )  (resid  16 and name  o )   2.8 0.4 0.5
assign (resid  12 and name  hn )  (resid  30 and name  o )   1.9 0.4 0.4
assign (resid  12 and name   n )  (resid  30 and name  o )   2.8 0.4 0.5
assign (resid  61 and name  hn )  (resid  58 and name  o )   1.9 0.4 0.4
assign (resid  61 and name   n )  (resid  58 and name  o )   2.8 0.4 0.5

!Salt bridge
assign (resid 71 and name nh1)  (resid 23 and name od1)   3.5 1.0 0.5
assign (resid 71 and name nh2)  (resid 23 and name od2)   3.5 1.0 0.5

set echo= true end
set wrnlev= 5 end


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    THR   9           HT3      THR   9   5.666   0.709   0.709
    2   2H    THR   9           HT2      THR   9   5.616   1.984   1.984
    3   3H    THR   9           HT1      THR   9   6.210   2.254   2.254
    4    HA   THR   9           HA       THR   9   4.029   3.156   3.156
    5    HB   THR   9           HB       THR   9   2.477   0.790   0.790
    6    HG1  THR   9           HG1      THR   9   3.533  -0.122  -0.122
    7   1HG2  THR   9          HG22      THR   9   2.710   3.558   3.558
    8   2HG2  THR   9          HG21      THR   9   2.161   2.468   2.468
    9   3HG2  THR   9          HG23      THR   9   1.266   2.575   2.575
   10    H    PHE  10           HN       PHE  10   3.827   3.334   3.334
   11    HA   PHE  10           HA       PHE  10   3.469   0.809   0.809
   12   1HB   PHE  10           HB2      PHE  10   5.128   3.245   3.245
   13   2HB   PHE  10           HB1      PHE  10   4.402   2.402   2.402
   14    HD1  PHE  10           HD1      PHE  10   6.240   1.568   1.568
   15    HD2  PHE  10           HD2      PHE  10   5.655   0.670   0.670
   16    HE1  PHE  10           HE1      PHE  10   7.996  -0.145  -0.145
   17    HE2  PHE  10           HE2      PHE  10   7.412  -1.042  -1.042
   18    HZ   PHE  10           HZ       PHE  10   8.583  -1.452  -1.452
   19    H    VAL  11           HN       VAL  11   1.649   0.745   0.745
   20    HA   VAL  11           HA       VAL  11   0.037   3.259   3.259
   21    HB   VAL  11           HB       VAL  11  -0.836   0.355   0.355
   22   1HG1  VAL  11          HG13      VAL  11  -2.066   2.554   2.554
   23   2HG1  VAL  11          HG12      VAL  11  -2.976   2.280   2.280
   24   3HG1  VAL  11          HG11      VAL  11  -2.774   0.971   0.971
   25   1HG2  VAL  11          HG21      VAL  11  -0.752   2.598   2.598
   26   2HG2  VAL  11          HG23      VAL  11  -0.627   0.861   0.861
   27   3HG2  VAL  11          HG22      VAL  11  -2.206   1.600   1.600
   28    H    ALA  12           HN       ALA  12  -0.592   3.942   3.942
   29    HA   ALA  12           HA       ALA  12   0.684   2.674   2.674
   30   1HB   ALA  12           HB2      ALA  12  -0.257   5.250   5.250
   31   2HB   ALA  12           HB1      ALA  12  -1.293   4.681   4.681
   32   3HB   ALA  12           HB3      ALA  12   0.456   4.726   4.726
   33    H    LEU  13           HN       LEU  13  -0.284   0.702   0.702
   34    HA   LEU  13           HA       LEU  13  -3.095   0.181   0.181
   35   1HB   LEU  13           HB2      LEU  13  -1.074  -1.182  -1.182
   36   2HB   LEU  13           HB1      LEU  13  -2.629  -1.833  -1.833
   37    HG   LEU  13           HG       LEU  13  -0.266  -1.190  -1.190
   38   1HD1  LEU  13          HD13      LEU  13  -1.269  -3.591  -3.591
   39   2HD1  LEU  13          HD12      LEU  13  -1.032  -3.820  -3.820
   40   3HD1  LEU  13          HD11      LEU  13   0.312  -3.288  -3.288
   41   1HD2  LEU  13          HD22      LEU  13  -3.125  -1.473  -1.473
   42   2HD2  LEU  13          HD21      LEU  13  -1.836  -0.911  -0.911
   43   3HD2  LEU  13          HD23      LEU  13  -2.156  -2.638  -2.638
   44    H    TYR  14           HN       TYR  14  -1.133   0.473   0.473
   45    HA   TYR  14           HA       TYR  14  -3.610   1.317   1.317
   46   1HB   TYR  14           HB2      TYR  14  -0.960   0.845   0.845
   47   2HB   TYR  14           HB1      TYR  14  -2.586   0.653   0.653
   48    HD1  TYR  14           HD1      TYR  14  -3.419  -0.807  -0.807
   49    HD2  TYR  14           HD2      TYR  14  -0.461  -1.465  -1.465
   50    HE1  TYR  14           HE1      TYR  14  -3.335  -3.174  -3.174
   51    HE2  TYR  14           HE2      TYR  14  -0.404  -3.843  -3.843
   52    HH   TYR  14           HH       TYR  14  -1.190  -5.439  -5.439
   53    H    ASP  15           HN       ASP  15  -3.718   3.289   3.289
   54    HA   ASP  15           HA       ASP  15  -2.223   5.477   5.477
   55   1HB   ASP  15           HB2      ASP  15  -3.299   6.714   6.714
   56   2HB   ASP  15           HB1      ASP  15  -4.380   6.026   6.026
   57    H    TYR  16           HN       TYR  16  -0.407   6.516   6.516
   58    HA   TYR  16           HA       TYR  16   0.908   5.200   5.200
   59   1HB   TYR  16           HB2      TYR  16   2.233   5.164   5.164
   60   2HB   TYR  16           HB1      TYR  16   2.034   6.904   6.904
   61    HD1  TYR  16           HD1      TYR  16   2.598   5.237   5.237
   62    HD2  TYR  16           HD2      TYR  16   4.372   7.502   7.502
   63    HE1  TYR  16           HE1      TYR  16   4.588   5.597   5.597
   64    HE2  TYR  16           HE2      TYR  16   6.364   7.857   7.857
   65    HH   TYR  16           HH       TYR  16   7.354   7.478   7.478
   66    H    GLU  17           HN       GLU  17   0.683   6.293   6.293
   67    HA   GLU  17           HA       GLU  17   0.725   9.280   9.280
   68   1HB   GLU  17           HB2      GLU  17  -0.859   9.281   9.281
   69   2HB   GLU  17           HB1      GLU  17  -1.558   8.496   8.496
   70   1HG   GLU  17           HG2      GLU  17  -0.544   6.314   6.314
   71   2HG   GLU  17           HG1      GLU  17  -0.561   7.263   7.263
   72    H    SER  18           HN       SER  18   3.105   8.707   8.707
   73    HA   SER  18           HA       SER  18   4.005   7.483   7.483
   74   1HB   SER  18           HB2      SER  18   5.214   8.591   8.591
   75   2HB   SER  18           HB1      SER  18   5.683   9.698   9.698
   76    HG   SER  18           HG       SER  18   6.832   8.184   8.184
   77    H    ARG  19           HN       ARG  19   5.556   9.199   9.199
   78    HA   ARG  19           HA       ARG  19   3.675  11.326  11.326
   79   1HB   ARG  19           HB2      ARG  19   5.502   9.926   9.926
   80   2HB   ARG  19           HB1      ARG  19   3.949  10.706  10.706
   81   1HG   ARG  19           HG2      ARG  19   3.110   8.593   8.593
   82   2HG   ARG  19           HG1      ARG  19   3.252   8.706   8.706
   83   1HD   ARG  19           HD2      ARG  19   5.354   7.586   7.586
   84   2HD   ARG  19           HD1      ARG  19   5.546   7.781   7.781
   85    HE   ARG  19           HE       ARG  19   3.175   6.258   6.258
   86   1HH1  ARG  19          HH21      ARG  19   6.627   6.135   6.135
   87   2HH1  ARG  19          HH22      ARG  19   6.697   4.428   4.428
   88   1HH2  ARG  19          HH11      ARG  19   3.255   4.031   4.031
   89   2HH2  ARG  19          HH12      ARG  19   4.791   3.237   3.237
   90    H    THR  20           HN       THR  20   5.931  11.566  11.566
   91    HA   THR  20           HA       THR  20   7.662  13.347  13.347
   92    HB   THR  20           HB       THR  20   9.609  12.652  12.652
   93    HG1  THR  20           HG1      THR  20   7.802  11.392  11.392
   94   1HG2  THR  20          HG21      THR  20   8.692  10.980  10.980
   95   2HG2  THR  20          HG23      THR  20   7.944  10.138  10.138
   96   3HG2  THR  20          HG22      THR  20   9.701  10.263  10.263
   97    H    GLU  21           HN       GLU  21   8.657  15.118  15.118
   98    HA   GLU  21           HA       GLU  21   6.686  16.141  16.141
   99   1HB   GLU  21           HB2      GLU  21   8.024  17.396  17.396
  100   2HB   GLU  21           HB1      GLU  21   9.133  17.700  17.700
  101   1HG   GLU  21           HG2      GLU  21   7.235  18.589  18.589
  102   2HG   GLU  21           HG1      GLU  21   6.168  18.343  18.343
  103    H    THR  22           HN       THR  22   9.300  14.164  14.164
  104    HA   THR  22           HA       THR  22  10.460  15.419  15.419
  105    HB   THR  22           HB       THR  22  11.341  12.699  12.699
  106    HG1  THR  22           HG1      THR  22  12.106  13.145  13.145
  107   1HG2  THR  22          HG22      THR  22  12.486  15.372  15.372
  108   2HG2  THR  22          HG21      THR  22  13.521  14.229  14.229
  109   3HG2  THR  22          HG23      THR  22  12.831  13.794  13.794
  110    H    ASP  23           HN       ASP  23   9.613  11.999  11.999
  111    HA   ASP  23           HA       ASP  23   8.995  11.451  11.451
  112   1HB   ASP  23           HB2      ASP  23   7.598  10.011  10.011
  113   2HB   ASP  23           HB1      ASP  23   8.232   9.357   9.357
  114    H    LEU  24           HN       LEU  24   7.193  11.846  11.846
  115    HA   LEU  24           HA       LEU  24   5.049  13.440  13.440
  116   1HB   LEU  24           HB2      LEU  24   5.711  12.558  12.558
  117   2HB   LEU  24           HB1      LEU  24   4.149  13.288  13.288
  118    HG   LEU  24           HG       LEU  24   5.415  15.205  15.205
  119   1HD1  LEU  24          HD12      LEU  24   7.627  13.437  13.437
  120   2HD1  LEU  24          HD11      LEU  24   7.843  15.080  15.080
  121   3HD1  LEU  24          HD13      LEU  24   7.609  14.797  14.797
  122   1HD2  LEU  24          HD22      LEU  24   5.197  14.514  14.514
  123   2HD2  LEU  24          HD21      LEU  24   4.758  16.007  16.007
  124   3HD2  LEU  24          HD23      LEU  24   6.427  15.734  15.734
  125    H    SER  25           HN       SER  25   2.734  12.817  12.817
  126    HA   SER  25           HA       SER  25   2.404   9.865   9.865
  127   1HB   SER  25           HB2      SER  25   0.070  11.288  11.288
  128   2HB   SER  25           HB1      SER  25   1.189  10.366  10.366
  129    HG   SER  25           HG       SER  25   0.835  12.958  12.958
  130    H    PHE  26           HN       PHE  26   0.663   8.874   8.874
  131    HA   PHE  26           HA       PHE  26  -0.703  10.608  10.608
  132   1HB   PHE  26           HB2      PHE  26  -0.362   8.745   8.745
  133   2HB   PHE  26           HB1      PHE  26   1.086   9.658   9.658
  134    HD1  PHE  26           HD1      PHE  26  -0.709   6.474   6.474
  135    HD2  PHE  26           HD2      PHE  26   2.911   8.597   8.597
  136    HE1  PHE  26           HE1      PHE  26   0.392   4.377   4.377
  137    HE2  PHE  26           HE2      PHE  26   4.011   6.497   6.497
  138    HZ   PHE  26           HZ       PHE  26   2.752   4.388   4.388
  139    H    LYS  27           HN       LYS  27  -2.399   9.050   9.050
  140    HA   LYS  27           HA       LYS  27  -3.782   7.539   7.539
  141   1HB   LYS  27           HB2      LYS  27  -4.698   9.609   9.609
  142   2HB   LYS  27           HB1      LYS  27  -5.692   8.156   8.156
  143   1HG   LYS  27           HG2      LYS  27  -5.050   8.791   8.791
  144   2HG   LYS  27           HG1      LYS  27  -5.855  10.144  10.144
  145   1HD   LYS  27           HD2      LYS  27  -6.889   7.311   7.311
  146   2HD   LYS  27           HD1      LYS  27  -7.381   8.391   8.391
  147   1HE   LYS  27           HE2      LYS  27  -7.853  10.067  10.067
  148   2HE   LYS  27           HE1      LYS  27  -7.951   8.582   8.582
  149   1HZ   LYS  27           HZ3      LYS  27  -9.373   8.121   8.121
  150   2HZ   LYS  27           HZ2      LYS  27  -9.839   9.669   9.669
  151   3HZ   LYS  27           HZ1      LYS  27 -10.000   8.338   8.338
  152    H    LYS  28           HN       LYS  28  -5.548   6.029   6.029
  153    HA   LYS  28           HA       LYS  28  -3.952   4.152   4.152
  154   1HB   LYS  28           HB2      LYS  28  -5.369   3.157   3.157
  155   2HB   LYS  28           HB1      LYS  28  -6.766   4.088   4.088
  156   1HG   LYS  28           HG2      LYS  28  -5.736   2.645   2.645
  157   2HG   LYS  28           HG1      LYS  28  -5.908   1.518   1.518
  158   1HD   LYS  28           HD2      LYS  28  -8.111   3.459   3.459
  159   2HD   LYS  28           HD1      LYS  28  -7.974   1.911   1.911
  160   1HE   LYS  28           HE2      LYS  28  -8.440   0.685   0.685
  161   2HE   LYS  28           HE1      LYS  28  -7.844   1.947   1.947
  162   1HZ   LYS  28           HZ2      LYS  28 -10.289   2.238   2.238
  163   2HZ   LYS  28           HZ1      LYS  28 -10.310   1.671   1.671
  164   3HZ   LYS  28           HZ3      LYS  28  -9.766   3.244   3.244
  165    H    GLY  29           HN       GLY  29  -3.980   4.073   4.073
  166   1HA   GLY  29           HA2      GLY  29  -5.269   4.022   4.022
  167   2HA   GLY  29           HA1      GLY  29  -6.323   5.262   5.262
  168    H    GLU  30           HN       GLU  30  -3.436   6.269   6.269
  169    HA   GLU  30           HA       GLU  30  -3.157   8.161   8.161
  170   1HB   GLU  30           HB2      GLU  30  -3.095   9.176   9.176
  171   2HB   GLU  30           HB1      GLU  30  -1.909   8.007   8.007
  172   1HG   GLU  30           HG2      GLU  30  -0.253   8.885   8.885
  173   2HG   GLU  30           HG1      GLU  30  -1.439  10.050  10.050
  174    H    ARG  31           HN       ARG  31  -1.601   7.942   7.942
  175    HA   ARG  31           HA       ARG  31   0.253   5.681   5.681
  176   1HB   ARG  31           HB2      ARG  31  -0.794   7.445   7.445
  177   2HB   ARG  31           HB1      ARG  31   0.957   7.283   7.283
  178   1HG   ARG  31           HG2      ARG  31   0.782   4.860   4.860
  179   2HG   ARG  31           HG1      ARG  31  -0.952   4.942   4.942
  180   1HD   ARG  31           HD2      ARG  31  -0.228   4.604   4.604
  181   2HD   ARG  31           HD1      ARG  31  -1.407   5.876   5.876
  182    HE   ARG  31           HE       ARG  31   0.214   7.465   7.465
  183   1HH1  ARG  31          HH21      ARG  31   1.615   4.381   4.381
  184   2HH1  ARG  31          HH22      ARG  31   3.187   4.827   4.827
  185   1HH2  ARG  31          HH11      ARG  31   2.261   8.056   8.056
  186   2HH2  ARG  31          HH12      ARG  31   3.552   6.903   6.903
  187    H    LEU  32           HN       LEU  32   2.550   5.862   5.862
  188    HA   LEU  32           HA       LEU  32   3.628   8.567   8.567
  189   1HB   LEU  32           HB2      LEU  32   4.170   6.007   6.007
  190   2HB   LEU  32           HB1      LEU  32   5.006   7.537   7.537
  191    HG   LEU  32           HG       LEU  32   2.158   7.983   7.983
  192   1HD1  LEU  32          HD12      LEU  32   3.208   5.831   5.831
  193   2HD1  LEU  32          HD11      LEU  32   1.685   6.687   6.687
  194   3HD1  LEU  32          HD13      LEU  32   1.907   5.668   5.668
  195   1HD2  LEU  32          HD23      LEU  32   4.536   8.412   8.412
  196   2HD2  LEU  32          HD22      LEU  32   3.340   9.573   9.573
  197   3HD2  LEU  32          HD21      LEU  32   2.952   8.499   8.499
  198    H    GLN  33           HN       GLN  33   5.694   8.936   8.936
  199    HA   GLN  33           HA       GLN  33   6.642   6.984   6.984
  200   1HB   GLN  33           HB2      GLN  33   6.760   9.292   9.292
  201   2HB   GLN  33           HB1      GLN  33   7.607   9.735   9.735
  202   1HG   GLN  33           HG2      GLN  33   9.604   8.704   8.704
  203   2HG   GLN  33           HG1      GLN  33   8.783   7.686   7.686
  204   1HE2  GLN  33          HE22      GLN  33   8.500  10.391  10.391
  205   2HE2  GLN  33          HE21      GLN  33   7.618   9.068   9.068
  206    H    ILE  34           HN       ILE  34   7.598   5.231   5.231
  207    HA   ILE  34           HA       ILE  34   9.203   5.428   5.428
  208    HB   ILE  34           HB       ILE  34   8.988   3.304   3.304
  209   1HG1  ILE  34          HG12      ILE  34   7.000   3.518   3.518
  210   2HG1  ILE  34          HG11      ILE  34   7.872   2.087   2.087
  211   1HG2  ILE  34          HG23      ILE  34  11.054   3.677   3.677
  212   2HG2  ILE  34          HG22      ILE  34  10.091   2.270   2.270
  213   3HG2  ILE  34          HG21      ILE  34  10.852   2.344   2.344
  214   1HD1  ILE  34          HD13      ILE  34   9.017   3.765   3.765
  215   2HD1  ILE  34          HD12      ILE  34   7.605   4.768   4.768
  216   3HD1  ILE  34          HD11      ILE  34   7.400   3.159   3.159
  217    H    VAL  35           HN       VAL  35  11.258   6.161   6.161
  218    HA   VAL  35           HA       VAL  35  12.802   6.683   6.683
  219    HB   VAL  35           HB       VAL  35  13.143   7.536   7.536
  220   1HG1  VAL  35          HG11      VAL  35  15.361   7.063   7.063
  221   2HG1  VAL  35          HG13      VAL  35  14.961   8.102   8.102
  222   3HG1  VAL  35          HG12      VAL  35  15.126   8.793   8.793
  223   1HG2  VAL  35          HG21      VAL  35  12.431   8.896   8.896
  224   2HG2  VAL  35          HG23      VAL  35  11.523   8.881   8.881
  225   3HG2  VAL  35          HG22      VAL  35  13.016   9.812   9.812
  226    H    ASN  36           HN       ASN  36  13.243   5.080   5.080
  227    HA   ASN  36           HA       ASN  36  15.278   3.332   3.332
  228   1HB   ASN  36           HB2      ASN  36  15.507   5.018   5.018
  229   2HB   ASN  36           HB1      ASN  36  15.987   3.344   3.344
  230   1HD2  ASN  36          HD22      ASN  36  18.367   5.773   5.773
  231   2HD2  ASN  36          HD21      ASN  36  16.949   6.341   6.341
  232    H    ASN  37           HN       ASN  37  14.639   1.236   1.236
  233    HA   ASN  37           HA       ASN  37  12.963   0.351   0.351
  234   1HB   ASN  37           HB2      ASN  37  11.753  -1.145  -1.145
  235   2HB   ASN  37           HB1      ASN  37  11.470   0.573   0.573
  236   1HD2  ASN  37          HD22      ASN  37  12.255  -0.378  -0.378
  237   2HD2  ASN  37          HD21      ASN  37  10.962  -0.150  -0.150
  238    H    THR  38           HN       THR  38  12.807  -2.333  -2.333
  239    HA   THR  38           HA       THR  38  14.088  -4.254  -4.254
  240    HB   THR  38           HB       THR  38  14.219  -3.982  -3.982
  241    HG1  THR  38           HG1      THR  38  15.147  -5.769  -5.769
  242   1HG2  THR  38          HG23      THR  38  16.735  -2.526  -2.526
  243   2HG2  THR  38          HG22      THR  38  16.579  -3.285  -3.285
  244   3HG2  THR  38          HG21      THR  38  15.469  -2.000  -2.000
  245    H    GLU  39           HN       GLU  39  14.822  -2.027  -2.027
  246    HA   GLU  39           HA       GLU  39  17.632  -2.795  -2.795
  247   1HB   GLU  39           HB2      GLU  39  16.807  -0.240  -0.240
  248   2HB   GLU  39           HB1      GLU  39  17.506  -0.030  -0.030
  249   1HG   GLU  39           HG2      GLU  39  19.101  -1.934  -1.934
  250   2HG   GLU  39           HG1      GLU  39  18.864  -0.538  -0.538
  251    H    GLY  40           HN       GLY  40  15.831  -0.074  -0.074
  252   1HA   GLY  40           HA2      GLY  40  15.784  -1.531  -1.531
  253   2HA   GLY  40           HA1      GLY  40  15.840   0.224   0.224
  254    H    ASP  41           HN       ASP  41  13.825  -1.752  -1.752
  255    HA   ASP  41           HA       ASP  41  11.410  -1.917  -1.917
  256   1HB   ASP  41           HB2      ASP  41  12.192  -1.615  -1.615
  257   2HB   ASP  41           HB1      ASP  41  10.541  -1.112  -1.112
  258    H    TRP  42           HN       TRP  42  12.714   0.962   0.962
  259    HA   TRP  42           HA       TRP  42  10.412   2.576   2.576
  260   1HB   TRP  42           HB2      TRP  42  12.956   3.250   3.250
  261   2HB   TRP  42           HB1      TRP  42  11.729   4.447   4.447
  262    HD1  TRP  42           HD1      TRP  42  12.264   1.334   1.334
  263    HE1  TRP  42           HE1      TRP  42  10.378   1.373   1.373
  264    HE3  TRP  42           HE3      TRP  42   9.640   5.100   5.100
  265    HZ2  TRP  42           HZ2      TRP  42   7.913   2.908   2.908
  266    HZ3  TRP  42           HZ3      TRP  42   7.547   5.886   5.886
  267    HH2  TRP  42           HH2      TRP  42   6.686   4.790   4.790
  268    H    TRP  43           HN       TRP  43  10.357   3.397   3.397
  269    HA   TRP  43           HA       TRP  43  12.962   3.908   3.908
  270   1HB   TRP  43           HB2      TRP  43  10.221   3.584   3.584
  271   2HB   TRP  43           HB1      TRP  43  11.765   3.660   3.660
  272    HD1  TRP  43           HD1      TRP  43  13.476   1.627   1.627
  273    HE1  TRP  43           HE1      TRP  43  12.829  -0.815  -0.815
  274    HE3  TRP  43           HE3      TRP  43   8.830   2.142   2.142
  275    HZ2  TRP  43           HZ2      TRP  43  10.475  -2.434  -2.434
  276    HZ3  TRP  43           HZ3      TRP  43   7.358   0.219   0.219
  277    HH2  TRP  43           HH2      TRP  43   8.180  -2.069  -2.069
  278    H    LEU  44           HN       LEU  44  12.914   5.815   5.815
  279    HA   LEU  44           HA       LEU  44  11.513   8.078   8.078
  280   1HB   LEU  44           HB2      LEU  44  13.872   8.465   8.465
  281   2HB   LEU  44           HB1      LEU  44  13.798   7.951   7.951
  282    HG   LEU  44           HG       LEU  44  12.000  10.185  10.185
  283   1HD1  LEU  44          HD13      LEU  44  14.638  10.324  10.324
  284   2HD1  LEU  44          HD12      LEU  44  14.680  11.073  11.073
  285   3HD1  LEU  44          HD11      LEU  44  13.614  11.717  11.717
  286   1HD2  LEU  44          HD23      LEU  44  13.508   9.251   9.251
  287   2HD2  LEU  44          HD22      LEU  44  11.810   9.705   9.705
  288   3HD2  LEU  44          HD21      LEU  44  13.057  10.953  10.953
  289    H    ALA  45           HN       ALA  45   9.534   8.512   8.512
  290    HA   ALA  45           HA       ALA  45   9.194   8.027   8.027
  291   1HB   ALA  45           HB2      ALA  45   7.461   7.733   7.733
  292   2HB   ALA  45           HB1      ALA  45   6.690   8.644   8.644
  293   3HB   ALA  45           HB3      ALA  45   7.307   7.021   7.021
  294    H    HIS  46           HN       HIS  46   8.023   9.635   9.635
  295    HA   HIS  46           HA       HIS  46   8.101  12.386  12.386
  296   1HB   HIS  46           HB2      HIS  46  10.065  12.349  12.349
  297   2HB   HIS  46           HB1      HIS  46   9.296  11.385  11.385
  298    HD1  HIS  46           HD1      HIS  46   9.093  14.841  14.841
  299    HD2  HIS  46           HD2      HIS  46   8.098  12.833  12.833
  300    HE1  HIS  46           HE1      HIS  46   8.348  16.551  16.551
  301    H    SER  47           HN       SER  47   6.226  13.502  13.502
  302    HA   SER  47           HA       SER  47   4.125  12.152  12.152
  303   1HB   SER  47           HB2      SER  47   4.094  14.822  14.822
  304   2HB   SER  47           HB1      SER  47   2.684  13.979  13.979
  305    HG   SER  47           HG       SER  47   3.601  12.171  12.171
  306    H    LEU  48           HN       LEU  48   3.411  12.773  12.773
  307    HA   LEU  48           HA       LEU  48   5.057  14.770  14.770
  308   1HB   LEU  48           HB2      LEU  48   2.793  13.156  13.156
  309   2HB   LEU  48           HB1      LEU  48   4.200  13.832  13.832
  310    HG   LEU  48           HG       LEU  48   4.358  11.673  11.673
  311   1HD1  LEU  48          HD12      LEU  48   4.032  11.564  11.564
  312   2HD1  LEU  48          HD11      LEU  48   5.056  10.360  10.360
  313   3HD1  LEU  48          HD13      LEU  48   3.359  10.503  10.503
  314   1HD2  LEU  48          HD23      LEU  48   6.328  13.309  13.309
  315   2HD2  LEU  48          HD22      LEU  48   6.646  11.578  11.578
  316   3HD2  LEU  48          HD21      LEU  48   6.448  12.328  12.328
  317    H    THR  49           HN       THR  49   2.142  14.693  14.693
  318    HA   THR  49           HA       THR  49   0.652  16.583  16.583
  319    HB   THR  49           HB       THR  49   0.137  16.306  16.306
  320    HG1  THR  49           HG1      THR  49  -0.762  14.312  14.312
  321   1HG2  THR  49          HG23      THR  49  -1.433  16.600  16.600
  322   2HG2  THR  49          HG22      THR  49  -2.219  15.982  15.982
  323   3HG2  THR  49          HG21      THR  49  -1.490  17.588  17.588
  324    H    THR  50           HN       THR  50   1.831  17.030  17.030
  325    HA   THR  50           HA       THR  50   2.073  19.914  19.914
  326    HB   THR  50           HB       THR  50   2.769  19.995  19.995
  327    HG1  THR  50           HG1      THR  50   2.853  18.064  18.064
  328   1HG2  THR  50          HG22      THR  50   0.353  19.924  19.924
  329   2HG2  THR  50          HG21      THR  50   0.380  18.181  18.181
  330   3HG2  THR  50          HG23      THR  50   0.652  19.283  19.283
  331    H    GLY  51           HN       GLY  51   4.097  17.147  17.147
  332   1HA   GLY  51           HA2      GLY  51   6.338  16.984  16.984
  333   2HA   GLY  51           HA1      GLY  51   6.332  18.731  18.731
  334    H    GLN  52           HN       GLN  52   6.072  16.496  16.496
  335    HA   GLN  52           HA       GLN  52   8.281  18.037  18.037
  336   1HB   GLN  52           HB2      GLN  52   5.566  17.398  17.398
  337   2HB   GLN  52           HB1      GLN  52   6.961  17.723  17.723
  338   1HG   GLN  52           HG2      GLN  52   5.969  19.590  19.590
  339   2HG   GLN  52           HG1      GLN  52   5.586  19.766  19.766
  340   1HE2  GLN  52          HE22      GLN  52   8.530  21.912  21.912
  341   2HE2  GLN  52          HE21      GLN  52   6.871  21.935  21.935
  342    H    THR  53           HN       THR  53   8.965  16.739  16.739
  343    HA   THR  53           HA       THR  53   9.521  14.001  14.001
  344    HB   THR  53           HB       THR  53  10.310  15.368  15.368
  345    HG1  THR  53           HG1      THR  53  11.684  16.400  16.400
  346   1HG2  THR  53          HG21      THR  53  11.146  12.833  12.833
  347   2HG2  THR  53          HG23      THR  53  12.211  13.637  13.637
  348   3HG2  THR  53          HG22      THR  53  10.634  13.045  13.045
  349    H    GLY  54           HN       GLY  54   9.269  12.194  12.194
  350   1HA   GLY  54           HA2      GLY  54   7.374  12.392  12.392
  351   2HA   GLY  54           HA1      GLY  54   6.522  11.883  11.883
  352    H    TYR  55           HN       TYR  55   8.865  10.943  10.943
  353    HA   TYR  55           HA       TYR  55   9.687   8.477   8.477
  354   1HB   TYR  55           HB2      TYR  55   9.558   8.999   8.999
  355   2HB   TYR  55           HB1      TYR  55  10.697   7.984   7.984
  356    HD1  TYR  55           HD2      TYR  55  11.087  10.003  10.003
  357    HD2  TYR  55           HD1      TYR  55  11.257  10.432  10.432
  358    HE1  TYR  55           HE2      TYR  55  12.600  11.914  11.914
  359    HE2  TYR  55           HE1      TYR  55  12.769  12.344  12.344
  360    HH   TYR  55           HH       TYR  55  13.816  13.691  13.691
  361    H    ILE  56           HN       ILE  56   8.511   6.619   6.619
  362    HA   ILE  56           HA       ILE  56   6.141   6.304   6.304
  363    HB   ILE  56           HB       ILE  56   4.967   5.222   5.222
  364   1HG1  ILE  56          HG12      ILE  56   7.432   5.881   5.881
  365   2HG1  ILE  56          HG11      ILE  56   7.028   4.268   4.268
  366   1HG2  ILE  56          HG22      ILE  56   4.924   7.728   7.728
  367   2HG2  ILE  56          HG21      ILE  56   6.225   7.819   7.819
  368   3HG2  ILE  56          HG23      ILE  56   4.650   7.178   7.178
  369   1HD1  ILE  56          HD12      ILE  56   4.737   4.670   4.670
  370   2HD1  ILE  56          HD11      ILE  56   5.587   5.950   5.950
  371   3HD1  ILE  56          HD13      ILE  56   6.135   4.279   4.279
  372    HA   PRO  57           HA       PRO  57   8.096   2.544   2.544
  373   1HB   PRO  57           HB2      PRO  57   5.595   1.380   1.380
  374   2HB   PRO  57           HB1      PRO  57   6.803   2.143   2.143
  375   1HG   PRO  57           HG2      PRO  57   4.209   3.175   3.175
  376   2HG   PRO  57           HG1      PRO  57   5.401   3.917   3.917
  377   1HD   PRO  57           HD1      PRO  57   4.710   4.708   4.708
  378   2HD   PRO  57           HD2      PRO  57   5.911   5.446   5.446
  379    H    SER  58           HN       SER  58   7.874   0.148   0.148
  380    HA   SER  58           HA       SER  58   6.928  -0.167  -0.167
  381   1HB   SER  58           HB2      SER  58   8.728  -1.505  -1.505
  382   2HB   SER  58           HB1      SER  58   9.046  -1.261  -1.261
  383    HG   SER  58           HG       SER  58   8.632  -3.491  -3.491
  384    H    ASN  59           HN       ASN  59   6.177  -1.353  -1.353
  385    HA   ASN  59           HA       ASN  59   4.374  -3.436  -3.436
  386   1HB   ASN  59           HB2      ASN  59   5.031  -2.109  -2.109
  387   2HB   ASN  59           HB1      ASN  59   3.487  -2.955  -2.955
  388   1HD2  ASN  59          HD22      ASN  59   6.507  -5.471  -5.471
  389   2HD2  ASN  59          HD21      ASN  59   6.201  -4.055  -4.055
  390    H    TYR  60           HN       TYR  60   4.105  -0.132  -0.132
  391    HA   TYR  60           HA       TYR  60   1.135  -0.225  -0.225
  392   1HB   TYR  60           HB2      TYR  60   3.171   1.943   1.943
  393   2HB   TYR  60           HB1      TYR  60   1.570   2.391   2.391
  394    HD1  TYR  60           HD1      TYR  60   1.813  -0.531  -0.531
  395    HD2  TYR  60           HD2      TYR  60   1.229   3.679   3.679
  396    HE1  TYR  60           HE1      TYR  60   0.946  -0.654  -0.654
  397    HE2  TYR  60           HE2      TYR  60   0.368   3.559   3.559
  398    HH   TYR  60           HH       TYR  60   0.750   1.782   1.782
  399    H    VAL  61           HN       VAL  61   3.479  -0.497  -0.497
  400    HA   VAL  61           HA       VAL  61   1.529   0.363   0.363
  401    HB   VAL  61           HB       VAL  61   2.963   2.227   2.227
  402   1HG1  VAL  61          HG11      VAL  61   4.939   0.249   0.249
  403   2HG1  VAL  61          HG13      VAL  61   5.592   1.450   1.450
  404   3HG1  VAL  61          HG12      VAL  61   4.808   1.968   1.968
  405   1HG2  VAL  61          HG23      VAL  61   2.738   1.234   1.234
  406   2HG2  VAL  61          HG22      VAL  61   4.308   2.014   2.014
  407   3HG2  VAL  61          HG21      VAL  61   4.179   0.259   0.259
  408    H    ALA  62           HN       ALA  62   2.177  -0.539  -0.539
  409    HA   ALA  62           HA       ALA  62   4.030  -2.776  -2.776
  410   1HB   ALA  62           HB1      ALA  62   1.249  -3.251  -3.251
  411   2HB   ALA  62           HB3      ALA  62   1.703  -4.145  -4.145
  412   3HB   ALA  62           HB2      ALA  62   2.624  -4.354  -4.354
  413    HA   PRO  63           HA       PRO  63   3.877  -1.731  -1.731
  414   1HB   PRO  63           HB2      PRO  63   4.321  -4.440  -4.440
  415   2HB   PRO  63           HB1      PRO  63   5.495  -3.123  -3.123
  416   1HG   PRO  63           HG2      PRO  63   5.281  -5.436  -5.436
  417   2HG   PRO  63           HG1      PRO  63   6.452  -4.116  -4.116
  418   1HD   PRO  63           HD1      PRO  63   4.216  -4.642  -4.642
  419   2HD   PRO  63           HD2      PRO  63   5.390  -3.316  -3.316
  420    H    SER  64           HN       SER  64   2.256  -1.651  -1.651
  421    HA   SER  64           HA       SER  64   0.118  -3.738  -3.738
  422   1HB   SER  64           HB2      SER  64  -0.178  -1.083  -1.083
  423   2HB   SER  64           HB1      SER  64  -0.780  -1.101  -1.101
  424    HG   SER  64           HG       SER  64  -2.313  -2.517  -2.517
  425   1H    ARG  71           HT1      ARG  71  14.545   1.103   1.103
  426   2H    ARG  71           HT3      ARG  71  14.988   2.616   2.616
  427   3H    ARG  71           HT2      ARG  71  14.148   1.503   1.503
  428    HA   ARG  71           HA       ARG  71  12.561   3.091   3.091
  429   1HB   ARG  71           HB2      ARG  71  14.197   3.658   3.658
  430   2HB   ARG  71           HB1      ARG  71  13.062   2.620   2.620
  431   1HG   ARG  71           HG2      ARG  71  12.326   4.961   4.961
  432   2HG   ARG  71           HG1      ARG  71  11.184   4.013   4.013
  433   1HD   ARG  71           HD2      ARG  71  11.555   5.293   5.293
  434   2HD   ARG  71           HD1      ARG  71  13.295   5.037   5.037
  435    HE   ARG  71           HE       ARG  71  13.473   7.144   7.144
  436   1HH1  ARG  71          HH21      ARG  71  10.229   5.960   5.960
  437   2HH1  ARG  71          HH22      ARG  71   9.561   7.426   7.426
  438   1HH2  ARG  71          HH11      ARG  71  12.611   9.061   9.061
  439   2HH2  ARG  71          HH12      ARG  71  10.906   9.179   9.179
  440    H    ALA  72           HN       ALA  72  11.578   1.077   1.077
  441    HA   ALA  72           HA       ALA  72  10.928  -1.207  -1.207
  442   1HB   ALA  72           HB3      ALA  72   9.931   0.073   0.073
  443   2HB   ALA  72           HB2      ALA  72   8.709  -0.871  -0.871
  444   3HB   ALA  72           HB1      ALA  72  10.215  -1.634  -1.634
  445    H    LEU  73           HN       LEU  73   9.068  -1.748  -1.748
  446    HA   LEU  73           HA       LEU  73   8.071   0.361   0.361
  447   1HB   LEU  73           HB2      LEU  73   7.301  -2.533  -2.533
  448   2HB   LEU  73           HB1      LEU  73   6.420  -1.487  -1.487
  449    HG   LEU  73           HG       LEU  73   9.407  -1.522  -1.522
  450   1HD1  LEU  73          HD13      LEU  73   8.765  -3.915  -3.915
  451   2HD1  LEU  73          HD12      LEU  73   7.613  -3.671  -3.671
  452   3HD1  LEU  73          HD11      LEU  73   9.341  -3.491  -3.491
  453   1HD2  LEU  73          HD22      LEU  73   7.127  -0.625  -0.625
  454   2HD2  LEU  73          HD21      LEU  73   8.836  -0.262  -0.262
  455   3HD2  LEU  73          HD23      LEU  73   8.129  -1.704  -1.704
  456    HA   PRO  74           HA       PRO  74   4.581   1.891   1.891
  457   1HB   PRO  74           HB2      PRO  74   2.735   1.704   1.704
  458   2HB   PRO  74           HB1      PRO  74   3.663   3.118   3.118
  459   1HG   PRO  74           HG2      PRO  74   4.051   1.467   1.467
  460   2HG   PRO  74           HG1      PRO  74   4.937   2.924   2.924
  461   1HD   PRO  74           HD1      PRO  74   5.857   0.194   0.194
  462   2HD   PRO  74           HD2      PRO  74   6.738   1.654   1.654
  463    HA   PRO  75           HA       PRO  75   2.419  -1.722  -1.722
  464   1HB   PRO  75           HB2      PRO  75   0.347  -0.162  -0.162
  465   2HB   PRO  75           HB1      PRO  75   1.740  -0.914  -0.914
  466   1HG   PRO  75           HG2      PRO  75   1.292   1.898   1.898
  467   2HG   PRO  75           HG1      PRO  75   2.670   1.148   1.148
  468   1HD   PRO  75           HD1      PRO  75   2.594   2.315   2.315
  469   2HD   PRO  75           HD2      PRO  75   3.978   1.568   1.568
  470    H    LEU  76           HN       LEU  76   0.708  -2.937  -2.937
  471    HA   LEU  76           HA       LEU  76  -0.653  -2.020  -2.020
  472   1HB   LEU  76           HB2      LEU  76  -1.067  -4.375  -4.375
  473   2HB   LEU  76           HB1      LEU  76  -2.113  -4.098  -4.098
  474    HG   LEU  76           HG       LEU  76   0.910  -4.323  -4.323
  475   1HD1  LEU  76          HD11      LEU  76  -1.182  -6.329  -6.329
  476   2HD1  LEU  76          HD13      LEU  76  -0.321  -6.401  -6.401
  477   3HD1  LEU  76          HD12      LEU  76   0.568  -6.549  -6.549
  478   1HD2  LEU  76          HD21      LEU  76  -0.934  -3.171  -3.171
  479   2HD2  LEU  76          HD23      LEU  76   0.733  -3.622  -3.622
  480   3HD2  LEU  76          HD22      LEU  76  -0.575  -4.760  -4.760
  481    HA   PRO  77           HA       PRO  77  -4.169   0.160   0.160
  482   1HB   PRO  77           HB2      PRO  77  -6.105  -1.469  -1.469
  483   2HB   PRO  77           HB1      PRO  77  -5.500   0.134   0.134
  484   1HG   PRO  77           HG2      PRO  77  -4.876  -2.375  -2.375
  485   2HG   PRO  77           HG1      PRO  77  -4.229  -0.779  -0.779
  486   1HD   PRO  77           HD1      PRO  77  -2.864  -2.972  -2.972
  487   2HD   PRO  77           HD2      PRO  77  -2.215  -1.371  -1.371
  488    H    ARG  78           HN       ARG  78  -6.432  -0.251  -0.251
  489    HA   ARG  78           HA       ARG  78  -6.220  -1.727  -1.727
  490   1HB   ARG  78           HB2      ARG  78  -8.143  -0.165  -0.165
  491   2HB   ARG  78           HB1      ARG  78  -8.864  -1.654  -1.654
  492   1HG   ARG  78           HG2      ARG  78  -8.262  -2.528  -2.528
  493   2HG   ARG  78           HG1      ARG  78  -8.357  -0.810  -0.810
  494   1HD   ARG  78           HD2      ARG  78 -10.533  -2.393  -2.393
  495   2HD   ARG  78           HD1      ARG  78 -10.536  -1.974  -1.974
  496    HE   ARG  78           HE       ARG  78 -10.866   0.343   0.343
  497   1HH1  ARG  78          HH21      ARG  78 -10.708  -1.801  -1.801
  498   2HH1  ARG  78          HH22      ARG  78 -11.439  -0.661  -0.661
  499   1HH2  ARG  78          HH11      ARG  78 -11.798   1.807   1.807
  500   2HH2  ARG  78          HH12      ARG  78 -12.050   1.367   1.367
  501    H    TYR  79           HN       TYR  79  -5.980  -3.865  -3.865
  502    HA   TYR  79           HA       TYR  79  -7.433  -5.846  -5.846
  503   1HB   TYR  79           HB2      TYR  79  -4.587  -5.270  -5.270
  504   2HB   TYR  79           HB1      TYR  79  -4.890  -6.961  -6.961
  505    HD1  TYR  79           HD2      TYR  79  -5.858  -4.233  -4.233
  506    HD2  TYR  79           HD1      TYR  79  -5.904  -8.421  -8.421
  507    HE1  TYR  79           HE2      TYR  79  -6.657  -4.628  -4.628
  508    HE2  TYR  79           HE1      TYR  79  -6.706  -8.815  -8.815
  509    HH   TYR  79           HH       TYR  79  -7.800  -7.707  -7.707

  Start of MODEL    2
    1   1H    THR   9           HT3      THR   9   6.536   3.778   3.778
    2   2H    THR   9           HT2      THR   9   6.431   2.870   2.870
    3   3H    THR   9           HT1      THR   9   6.723   4.541   4.541
    4    HA   THR   9           HA       THR   9   4.557   5.064   5.064
    5    HB   THR   9           HB       THR   9   4.418   2.780   2.780
    6    HG1  THR   9           HG1      THR   9   4.659   4.457   4.457
    7   1HG2  THR   9          HG21      THR   9   2.512   4.907   4.907
    8   2HG2  THR   9          HG23      THR   9   2.486   4.404   4.404
    9   3HG2  THR   9          HG22      THR   9   2.194   3.223   3.223
   10    H    PHE  10           HN       PHE  10   5.042   3.796   3.796
   11    HA   PHE  10           HA       PHE  10   3.405   1.340   1.340
   12   1HB   PHE  10           HB2      PHE  10   5.239   2.826   2.826
   13   2HB   PHE  10           HB1      PHE  10   4.119   1.614   1.614
   14    HD1  PHE  10           HD1      PHE  10   5.503   1.319   1.319
   15    HD2  PHE  10           HD2      PHE  10   5.965   0.101   0.101
   16    HE1  PHE  10           HE1      PHE  10   7.034  -0.465  -0.465
   17    HE2  PHE  10           HE2      PHE  10   7.496  -1.681  -1.681
   18    HZ   PHE  10           HZ       PHE  10   8.032  -1.967  -1.967
   19    H    VAL  11           HN       VAL  11   2.125   1.476   1.476
   20    HA   VAL  11           HA       VAL  11   0.601   4.033   4.033
   21    HB   VAL  11           HB       VAL  11  -0.842   1.387   1.387
   22   1HG1  VAL  11          HG12      VAL  11  -1.558   4.283   4.283
   23   2HG1  VAL  11          HG11      VAL  11  -2.649   2.982   2.982
   24   3HG1  VAL  11          HG13      VAL  11  -2.196   3.177   3.177
   25   1HG2  VAL  11          HG22      VAL  11   0.149   2.927   2.927
   26   2HG2  VAL  11          HG21      VAL  11   0.077   1.181   1.181
   27   3HG2  VAL  11          HG23      VAL  11  -1.398   2.085   2.085
   28    H    ALA  12           HN       ALA  12  -0.747   4.191   4.191
   29    HA   ALA  12           HA       ALA  12   0.755   3.116   3.116
   30   1HB   ALA  12           HB1      ALA  12  -1.621   4.982   4.982
   31   2HB   ALA  12           HB3      ALA  12  -0.929   4.480   4.480
   32   3HB   ALA  12           HB2      ALA  12   0.042   5.408   5.408
   33    H    LEU  13           HN       LEU  13   0.293   0.903   0.903
   34    HA   LEU  13           HA       LEU  13  -2.292  -0.257  -0.257
   35   1HB   LEU  13           HB2      LEU  13   0.224  -1.141  -1.141
   36   2HB   LEU  13           HB1      LEU  13  -1.247  -2.106  -2.106
   37    HG   LEU  13           HG       LEU  13   0.186  -1.304  -1.304
   38   1HD1  LEU  13          HD13      LEU  13  -0.245  -3.920  -3.920
   39   2HD1  LEU  13          HD12      LEU  13   0.275  -3.843  -3.843
   40   3HD1  LEU  13          HD11      LEU  13   1.290  -3.156  -3.156
   41   1HD2  LEU  13          HD23      LEU  13  -2.576  -2.194  -2.194
   42   2HD2  LEU  13          HD22      LEU  13  -1.912  -1.382  -1.382
   43   3HD2  LEU  13          HD21      LEU  13  -1.738  -3.129  -3.129
   44    H    TYR  14           HN       TYR  14  -0.723   1.194   1.194
   45    HA   TYR  14           HA       TYR  14  -3.326   0.931   0.931
   46   1HB   TYR  14           HB2      TYR  14  -0.562   0.441   0.441
   47   2HB   TYR  14           HB1      TYR  14  -2.019   0.603   0.603
   48    HD1  TYR  14           HD2      TYR  14  -0.864  -1.247  -1.247
   49    HD2  TYR  14           HD1      TYR  14  -3.180  -1.359  -1.359
   50    HE1  TYR  14           HE2      TYR  14  -1.401  -3.600  -3.600
   51    HE2  TYR  14           HE1      TYR  14  -3.719  -3.716  -3.716
   52    HH   TYR  14           HH       TYR  14  -3.668  -5.371  -5.371
   53    H    ASP  15           HN       ASP  15  -3.965   2.803   2.803
   54    HA   ASP  15           HA       ASP  15  -2.862   5.300   5.300
   55   1HB   ASP  15           HB2      ASP  15  -4.083   6.028   6.028
   56   2HB   ASP  15           HB1      ASP  15  -5.035   5.426   5.426
   57    H    TYR  16           HN       TYR  16  -0.898   6.109   6.109
   58    HA   TYR  16           HA       TYR  16   0.396   5.132   5.132
   59   1HB   TYR  16           HB2      TYR  16   1.739   4.896   4.896
   60   2HB   TYR  16           HB1      TYR  16   1.509   6.599   6.599
   61    HD1  TYR  16           HD1      TYR  16   2.222   5.043   5.043
   62    HD2  TYR  16           HD2      TYR  16   3.681   7.529   7.529
   63    HE1  TYR  16           HE1      TYR  16   4.179   5.608   5.608
   64    HE2  TYR  16           HE2      TYR  16   5.642   8.091   8.091
   65    HH   TYR  16           HH       TYR  16   5.831   7.537   7.537
   66    H    GLU  17           HN       GLU  17   0.337   6.442   6.442
   67    HA   GLU  17           HA       GLU  17  -0.158   9.352   9.352
   68   1HB   GLU  17           HB2      GLU  17  -0.973   9.360   9.360
   69   2HB   GLU  17           HB1      GLU  17  -1.907   8.280   8.280
   70   1HG   GLU  17           HG2      GLU  17  -0.440   6.385   6.385
   71   2HG   GLU  17           HG1      GLU  17   0.279   7.503   7.503
   72    H    SER  18           HN       SER  18   2.323   9.173   9.173
   73    HA   SER  18           HA       SER  18   4.307   8.637   8.637
   74   1HB   SER  18           HB2      SER  18   5.082  11.128  11.128
   75   2HB   SER  18           HB1      SER  18   5.418   9.563   9.563
   76    HG   SER  18           HG       SER  18   3.114  11.156  11.156
   77    H    ARG  19           HN       ARG  19   5.221   9.712   9.712
   78    HA   ARG  19           HA       ARG  19   3.424  11.751  11.751
   79   1HB   ARG  19           HB2      ARG  19   5.511  10.665  10.665
   80   2HB   ARG  19           HB1      ARG  19   3.770  10.743  10.743
   81   1HG   ARG  19           HG2      ARG  19   3.829   8.796   8.796
   82   2HG   ARG  19           HG1      ARG  19   5.421   8.545   8.545
   83   1HD   ARG  19           HD2      ARG  19   2.719   8.170   8.170
   84   2HD   ARG  19           HD1      ARG  19   4.199   7.246   7.246
   85    HE   ARG  19           HE       ARG  19   4.767   9.665   9.665
   86   1HH1  ARG  19          HH21      ARG  19   2.172   7.388   7.388
   87   2HH1  ARG  19          HH22      ARG  19   1.792   7.747   7.747
   88   1HH2  ARG  19          HH11      ARG  19   4.279  10.139  10.139
   89   2HH2  ARG  19          HH12      ARG  19   2.982   9.301   9.301
   90    H    THR  20           HN       THR  20   6.425  11.384  11.384
   91    HA   THR  20           HA       THR  20   7.555  13.780  13.780
   92    HB   THR  20           HB       THR  20   9.003  11.751  11.751
   93    HG1  THR  20           HG1      THR  20  10.090  13.648  13.648
   94   1HG2  THR  20          HG22      THR  20   8.659  12.355  12.355
   95   2HG2  THR  20          HG21      THR  20   9.863  11.246  11.246
   96   3HG2  THR  20          HG23      THR  20   8.144  10.893  10.893
   97    H    GLU  21           HN       GLU  21   8.564  15.435  15.435
   98    HA   GLU  21           HA       GLU  21   6.689  16.144  16.144
   99   1HB   GLU  21           HB2      GLU  21   9.314  17.540  17.540
  100   2HB   GLU  21           HB1      GLU  21   7.740  18.217  18.217
  101   1HG   GLU  21           HG2      GLU  21   7.528  18.734  18.734
  102   2HG   GLU  21           HG1      GLU  21   7.322  17.006  17.006
  103    H    THR  22           HN       THR  22   9.765  14.520  14.520
  104    HA   THR  22           HA       THR  22  10.688  15.039  15.039
  105    HB   THR  22           HB       THR  22  11.113  12.415  12.415
  106    HG1  THR  22           HG1      THR  22  12.368  14.913  14.913
  107   1HG2  THR  22          HG23      THR  22  12.079  13.509  13.509
  108   2HG2  THR  22          HG22      THR  22  13.384  13.772  13.772
  109   3HG2  THR  22          HG21      THR  22  12.770  12.143  12.143
  110    H    ASP  23           HN       ASP  23   9.357  11.909  11.909
  111    HA   ASP  23           HA       ASP  23   8.559  11.172  11.172
  112   1HB   ASP  23           HB2      ASP  23   7.434   9.972   9.972
  113   2HB   ASP  23           HB1      ASP  23   7.716   9.185   9.185
  114    H    LEU  24           HN       LEU  24   6.711  11.783  11.783
  115    HA   LEU  24           HA       LEU  24   4.750  13.411  13.411
  116   1HB   LEU  24           HB2      LEU  24   4.190  12.445  12.445
  117   2HB   LEU  24           HB1      LEU  24   3.923  14.034  14.034
  118    HG   LEU  24           HG       LEU  24   6.534  12.857  12.857
  119   1HD1  LEU  24          HD12      LEU  24   4.843  15.263  15.263
  120   2HD1  LEU  24          HD11      LEU  24   6.497  15.048  15.048
  121   3HD1  LEU  24          HD13      LEU  24   5.248  13.889  13.889
  122   1HD2  LEU  24          HD23      LEU  24   6.547  14.198  14.198
  123   2HD2  LEU  24          HD22      LEU  24   7.744  14.554  14.554
  124   3HD2  LEU  24          HD21      LEU  24   6.329  15.589  15.589
  125    H    SER  25           HN       SER  25   2.386  12.869  12.869
  126    HA   SER  25           HA       SER  25   2.012   9.945   9.945
  127   1HB   SER  25           HB2      SER  25  -0.295  11.442  11.442
  128   2HB   SER  25           HB1      SER  25   0.836  10.593  10.593
  129    HG   SER  25           HG       SER  25   1.074  13.245  13.245
  130    H    PHE  26           HN       PHE  26   0.692   8.810   8.810
  131    HA   PHE  26           HA       PHE  26  -0.905  10.416  10.416
  132   1HB   PHE  26           HB2      PHE  26  -0.541   8.454   8.454
  133   2HB   PHE  26           HB1      PHE  26   0.880   9.442   9.442
  134    HD1  PHE  26           HD1      PHE  26  -0.765   6.215   6.215
  135    HD2  PHE  26           HD2      PHE  26   2.738   8.549   8.549
  136    HE1  PHE  26           HE1      PHE  26   0.428   4.212   4.212
  137    HE2  PHE  26           HE2      PHE  26   3.930   6.543   6.543
  138    HZ   PHE  26           HZ       PHE  26   2.777   4.374   4.374
  139    H    LYS  27           HN       LYS  27  -2.598   8.809   8.809
  140    HA   LYS  27           HA       LYS  27  -3.808   7.176   7.176
  141   1HB   LYS  27           HB2      LYS  27  -4.838   9.553   9.553
  142   2HB   LYS  27           HB1      LYS  27  -5.653   8.440   8.440
  143   1HG   LYS  27           HG2      LYS  27  -6.010   7.057   7.057
  144   2HG   LYS  27           HG1      LYS  27  -5.850   8.658   8.658
  145   1HD   LYS  27           HD2      LYS  27  -7.624   8.418   8.418
  146   2HD   LYS  27           HD1      LYS  27  -8.211   7.718   7.718
  147   1HE   LYS  27           HE2      LYS  27  -7.013  10.355  10.355
  148   2HE   LYS  27           HE1      LYS  27  -8.376  10.400  10.400
  149   1HZ   LYS  27           HZ1      LYS  27  -8.797   8.766   8.766
  150   2HZ   LYS  27           HZ3      LYS  27  -8.601  10.421  10.421
  151   3HZ   LYS  27           HZ2      LYS  27  -9.823   9.905   9.905
  152    H    LYS  28           HN       LYS  28  -5.718   5.816   5.816
  153    HA   LYS  28           HA       LYS  28  -4.424   4.047   4.047
  154   1HB   LYS  28           HB2      LYS  28  -6.074   3.174   3.174
  155   2HB   LYS  28           HB1      LYS  28  -7.314   4.241   4.241
  156   1HG   LYS  28           HG2      LYS  28  -7.737   2.830   2.830
  157   2HG   LYS  28           HG1      LYS  28  -6.020   2.644   2.644
  158   1HD   LYS  28           HD2      LYS  28  -7.021   0.489   0.489
  159   2HD   LYS  28           HD1      LYS  28  -5.807   1.014   1.014
  160   1HE   LYS  28           HE2      LYS  28  -7.838   2.138   2.138
  161   2HE   LYS  28           HE1      LYS  28  -8.804   1.010   1.010
  162   1HZ   LYS  28           HZ2      LYS  28  -6.500  -0.165  -0.165
  163   2HZ   LYS  28           HZ1      LYS  28  -7.666   0.430   0.430
  164   3HZ   LYS  28           HZ3      LYS  28  -8.101  -0.726  -0.726
  165    H    GLY  29           HN       GLY  29  -4.729   3.871   3.871
  166   1HA   GLY  29           HA2      GLY  29  -5.767   4.373   4.373
  167   2HA   GLY  29           HA1      GLY  29  -6.706   5.639   5.639
  168    H    GLU  30           HN       GLU  30  -4.190   6.643   6.643
  169    HA   GLU  30           HA       GLU  30  -3.467   8.588   8.588
  170   1HB   GLU  30           HB2      GLU  30  -3.380   8.862   8.862
  171   2HB   GLU  30           HB1      GLU  30  -1.874   7.945   7.945
  172   1HG   GLU  30           HG2      GLU  30  -0.720   9.651   9.651
  173   2HG   GLU  30           HG1      GLU  30  -2.129  10.208  10.208
  174    H    ARG  31           HN       ARG  31  -2.147   8.185   8.185
  175    HA   ARG  31           HA       ARG  31  -0.274   5.900   5.900
  176   1HB   ARG  31           HB2      ARG  31  -1.763   7.198   7.198
  177   2HB   ARG  31           HB1      ARG  31  -0.050   7.344   7.344
  178   1HG   ARG  31           HG2      ARG  31  -0.060   5.198   5.198
  179   2HG   ARG  31           HG1      ARG  31  -0.443   4.707   4.707
  180   1HD   ARG  31           HD2      ARG  31  -2.439   3.990   3.990
  181   2HD   ARG  31           HD1      ARG  31  -2.860   5.680   5.680
  182    HE   ARG  31           HE       ARG  31  -1.424   5.005   5.005
  183   1HH1  ARG  31          HH21      ARG  31  -4.093   3.645   3.645
  184   2HH1  ARG  31          HH22      ARG  31  -4.818   2.957   2.957
  185   1HH2  ARG  31          HH11      ARG  31  -2.362   4.114   4.114
  186   2HH2  ARG  31          HH12      ARG  31  -3.841   3.222   3.222
  187    H    LEU  32           HN       LEU  32   1.969   6.131   6.131
  188    HA   LEU  32           HA       LEU  32   3.033   8.923   8.923
  189   1HB   LEU  32           HB2      LEU  32   4.240   6.796   6.796
  190   2HB   LEU  32           HB1      LEU  32   4.343   8.550   8.550
  191    HG   LEU  32           HG       LEU  32   1.651   8.186   8.186
  192   1HD1  LEU  32          HD13      LEU  32   3.026   5.663   5.663
  193   2HD1  LEU  32          HD12      LEU  32   1.664   6.235   6.235
  194   3HD1  LEU  32          HD11      LEU  32   1.446   5.878   5.878
  195   1HD2  LEU  32          HD22      LEU  32   3.888   8.333   8.333
  196   2HD2  LEU  32          HD21      LEU  32   2.639   9.524   9.524
  197   3HD2  LEU  32          HD23      LEU  32   2.242   8.096   8.096
  198    H    GLN  33           HN       GLN  33   5.328   9.023   9.023
  199    HA   GLN  33           HA       GLN  33   5.942   6.839   6.839
  200   1HB   GLN  33           HB2      GLN  33   5.934   9.360   9.360
  201   2HB   GLN  33           HB1      GLN  33   7.468   9.428   9.428
  202   1HG   GLN  33           HG2      GLN  33   8.560   8.086   8.086
  203   2HG   GLN  33           HG1      GLN  33   7.077   7.266   7.266
  204   1HE2  GLN  33          HE22      GLN  33   8.279  10.589  10.589
  205   2HE2  GLN  33          HE21      GLN  33   9.198   9.925   9.925
  206    H    ILE  34           HN       ILE  34   7.310   5.279   5.279
  207    HA   ILE  34           HA       ILE  34   8.880   5.535   5.535
  208    HB   ILE  34           HB       ILE  34   9.163   3.526   3.526
  209   1HG1  ILE  34          HG12      ILE  34   6.884   3.527   3.527
  210   2HG1  ILE  34          HG11      ILE  34   7.727   2.104   2.104
  211   1HG2  ILE  34          HG22      ILE  34  10.543   3.948   3.948
  212   2HG2  ILE  34          HG21      ILE  34   9.770   2.363   2.363
  213   3HG2  ILE  34          HG23      ILE  34  10.929   2.827   2.827
  214   1HD1  ILE  34          HD13      ILE  34   8.281   3.490   3.490
  215   2HD1  ILE  34          HD12      ILE  34   7.126   4.679   4.679
  216   3HD1  ILE  34          HD11      ILE  34   6.583   3.050   3.050
  217    H    VAL  35           HN       VAL  35  11.056   6.049   6.049
  218    HA   VAL  35           HA       VAL  35  12.388   7.131   7.131
  219    HB   VAL  35           HB       VAL  35  12.897   7.624   7.624
  220   1HG1  VAL  35          HG11      VAL  35  14.518   8.114   8.114
  221   2HG1  VAL  35          HG13      VAL  35  14.277   9.542   9.542
  222   3HG1  VAL  35          HG12      VAL  35  15.004   8.090   8.090
  223   1HG2  VAL  35          HG22      VAL  35  10.872   8.697   8.697
  224   2HG2  VAL  35          HG21      VAL  35  12.085   9.872   9.872
  225   3HG2  VAL  35          HG23      VAL  35  11.910   9.462   9.462
  226    H    ASN  36           HN       ASN  36  14.018   6.136   6.136
  227    HA   ASN  36           HA       ASN  36  15.294   3.900   3.900
  228   1HB   ASN  36           HB2      ASN  36  16.529   6.323   6.323
  229   2HB   ASN  36           HB1      ASN  36  17.219   4.926   4.926
  230   1HD2  ASN  36          HD22      ASN  36  17.621   5.188   5.188
  231   2HD2  ASN  36          HD21      ASN  36  16.321   5.976   5.976
  232    H    ASN  37           HN       ASN  37  17.000   3.110   3.110
  233    HA   ASN  37           HA       ASN  37  16.975   1.985   1.985
  234   1HB   ASN  37           HB2      ASN  37  14.192   3.063   3.063
  235   2HB   ASN  37           HB1      ASN  37  15.396   2.592   2.592
  236   1HD2  ASN  37          HD22      ASN  37  15.388   6.370   6.370
  237   2HD2  ASN  37          HD21      ASN  37  14.169   5.255   5.255
  238    H    THR  38           HN       THR  38  16.766   0.174   0.174
  239    HA   THR  38           HA       THR  38  14.119  -1.004  -1.004
  240    HB   THR  38           HB       THR  38  15.784  -1.348  -1.348
  241    HG1  THR  38           HG1      THR  38  15.788  -3.649  -3.649
  242   1HG2  THR  38          HG23      THR  38  17.548  -1.556  -1.556
  243   2HG2  THR  38          HG22      THR  38  17.580  -3.133  -3.133
  244   3HG2  THR  38          HG21      THR  38  17.957  -1.678  -1.678
  245    H    GLU  39           HN       GLU  39  16.811  -1.395  -1.395
  246    HA   GLU  39           HA       GLU  39  15.495  -3.753  -3.753
  247   1HB   GLU  39           HB2      GLU  39  18.241  -2.542  -2.542
  248   2HB   GLU  39           HB1      GLU  39  17.688  -3.555  -3.555
  249   1HG   GLU  39           HG2      GLU  39  17.904  -5.446  -5.446
  250   2HG   GLU  39           HG1      GLU  39  17.086  -4.723  -4.723
  251    H    GLY  40           HN       GLY  40  16.223  -3.476  -3.476
  252   1HA   GLY  40           HA2      GLY  40  15.715  -2.351  -2.351
  253   2HA   GLY  40           HA1      GLY  40  15.679  -0.849  -0.849
  254    H    ASP  41           HN       ASP  41  13.767  -0.480  -0.480
  255    HA   ASP  41           HA       ASP  41  11.300  -1.552  -1.552
  256   1HB   ASP  41           HB2      ASP  41  12.158  -2.025  -2.025
  257   2HB   ASP  41           HB1      ASP  41  10.774  -0.935  -0.935
  258    H    TRP  42           HN       TRP  42  12.939   1.031   1.031
  259    HA   TRP  42           HA       TRP  42  10.604   2.831   2.831
  260   1HB   TRP  42           HB2      TRP  42  13.294   3.180   3.180
  261   2HB   TRP  42           HB1      TRP  42  12.231   4.552   4.552
  262    HD1  TRP  42           HD1      TRP  42  12.587   1.488   1.488
  263    HE1  TRP  42           HE1      TRP  42  10.729   1.656   1.656
  264    HE3  TRP  42           HE3      TRP  42  10.050   5.244   5.244
  265    HZ2  TRP  42           HZ2      TRP  42   8.297   3.269   3.269
  266    HZ3  TRP  42           HZ3      TRP  42   7.985   6.124   6.124
  267    HH2  TRP  42           HH2      TRP  42   7.107   5.135   5.135
  268    H    TRP  43           HN       TRP  43  10.412   3.417   3.417
  269    HA   TRP  43           HA       TRP  43  12.900   4.161   4.161
  270   1HB   TRP  43           HB2      TRP  43  10.118   3.631   3.631
  271   2HB   TRP  43           HB1      TRP  43  11.587   3.868   3.868
  272    HD1  TRP  43           HD1      TRP  43  13.343   2.019   2.019
  273    HE1  TRP  43           HE1      TRP  43  13.062  -0.475  -0.475
  274    HE3  TRP  43           HE3      TRP  43   9.173   2.031   2.031
  275    HZ2  TRP  43           HZ2      TRP  43  11.186  -2.332  -2.332
  276    HZ3  TRP  43           HZ3      TRP  43   8.112  -0.042  -0.042
  277    HH2  TRP  43           HH2      TRP  43   9.118  -2.222  -2.222
  278    H    LEU  44           HN       LEU  44  12.594   6.073   6.073
  279    HA   LEU  44           HA       LEU  44  10.943   8.163   8.163
  280   1HB   LEU  44           HB2      LEU  44  13.235   8.773   8.773
  281   2HB   LEU  44           HB1      LEU  44  13.602   8.319   8.319
  282    HG   LEU  44           HG       LEU  44  11.470  10.278  10.278
  283   1HD1  LEU  44          HD12      LEU  44  13.981  10.851  10.851
  284   2HD1  LEU  44          HD11      LEU  44  13.119  12.146  12.146
  285   3HD1  LEU  44          HD13      LEU  44  12.310  11.217  11.217
  286   1HD2  LEU  44          HD22      LEU  44  13.673   9.534   9.534
  287   2HD2  LEU  44          HD21      LEU  44  12.528  10.831  10.831
  288   3HD2  LEU  44          HD23      LEU  44  14.023  11.178  11.178
  289    H    ALA  45           HN       ALA  45   9.076   7.984   7.984
  290    HA   ALA  45           HA       ALA  45   9.410   8.066   8.066
  291   1HB   ALA  45           HB1      ALA  45   7.470   6.962   6.962
  292   2HB   ALA  45           HB3      ALA  45   6.661   8.250   8.250
  293   3HB   ALA  45           HB2      ALA  45   7.459   6.940   6.940
  294    H    HIS  46           HN       HIS  46   8.628   9.777   9.777
  295    HA   HIS  46           HA       HIS  46   8.219  12.319  12.319
  296   1HB   HIS  46           HB2      HIS  46   9.724  13.152  13.152
  297   2HB   HIS  46           HB1      HIS  46   9.841  11.588  11.588
  298    HD1  HIS  46           HD1      HIS  46   9.094  14.845  14.845
  299    HD2  HIS  46           HD2      HIS  46   7.359  11.296  11.296
  300    HE1  HIS  46           HE1      HIS  46   7.828  15.273  15.273
  301    H    SER  47           HN       SER  47   6.319  13.482  13.482
  302    HA   SER  47           HA       SER  47   4.018  12.106  12.106
  303   1HB   SER  47           HB2      SER  47   4.053  15.096  15.096
  304   2HB   SER  47           HB1      SER  47   2.804  13.962  13.962
  305    HG   SER  47           HG       SER  47   3.867  14.806  14.806
  306    H    LEU  48           HN       LEU  48   2.830  12.467  12.467
  307    HA   LEU  48           HA       LEU  48   4.499  13.479  13.479
  308   1HB   LEU  48           HB2      LEU  48   1.980  11.804  11.804
  309   2HB   LEU  48           HB1      LEU  48   2.650  12.419  12.419
  310    HG   LEU  48           HG       LEU  48   4.253  10.776  10.776
  311   1HD1  LEU  48          HD11      LEU  48   2.424   9.976   9.976
  312   2HD1  LEU  48          HD13      LEU  48   3.904   9.051   9.051
  313   3HD1  LEU  48          HD12      LEU  48   2.715   9.180   9.180
  314   1HD2  LEU  48          HD22      LEU  48   5.090  12.380  12.380
  315   2HD2  LEU  48          HD21      LEU  48   5.969  10.960  10.960
  316   3HD2  LEU  48          HD23      LEU  48   4.898  10.835  10.835
  317    H    THR  49           HN       THR  49   2.686  15.017  15.017
  318    HA   THR  49           HA       THR  49   0.984  16.455  16.455
  319    HB   THR  49           HB       THR  49   0.761  17.442  17.442
  320    HG1  THR  49           HG1      THR  49   1.056  15.612  15.612
  321   1HG2  THR  49          HG21      THR  49  -0.996  16.160  16.160
  322   2HG2  THR  49          HG23      THR  49  -1.609  16.423  16.423
  323   3HG2  THR  49          HG22      THR  49  -1.069  17.794  17.794
  324    H    THR  50           HN       THR  50   2.604  17.687  17.687
  325    HA   THR  50           HA       THR  50   3.506  20.026  20.026
  326    HB   THR  50           HB       THR  50   2.505  20.456  20.456
  327    HG1  THR  50           HG1      THR  50   5.321  20.794  20.794
  328   1HG2  THR  50          HG23      THR  50   4.466  18.359  18.359
  329   2HG2  THR  50          HG22      THR  50   4.072  19.632  19.632
  330   3HG2  THR  50          HG21      THR  50   2.795  18.598  18.598
  331    H    GLY  51           HN       GLY  51   4.723  17.009  17.009
  332   1HA   GLY  51           HA2      GLY  51   6.857  16.102  16.102
  333   2HA   GLY  51           HA1      GLY  51   7.380  17.695  17.695
  334    H    GLN  52           HN       GLN  52   6.639  15.838  15.838
  335    HA   GLN  52           HA       GLN  52   8.765  17.420  17.420
  336   1HB   GLN  52           HB2      GLN  52   5.923  17.187  17.187
  337   2HB   GLN  52           HB1      GLN  52   6.995  16.752  16.752
  338   1HG   GLN  52           HG2      GLN  52   8.273  18.915  18.915
  339   2HG   GLN  52           HG1      GLN  52   6.888  19.356  19.356
  340   1HE2  GLN  52          HE22      GLN  52   5.050  20.459  20.459
  341   2HE2  GLN  52          HE21      GLN  52   5.331  20.539  20.539
  342    H    THR  53           HN       THR  53   8.866  16.127  16.127
  343    HA   THR  53           HA       THR  53   9.910  13.492  13.492
  344    HB   THR  53           HB       THR  53   9.916  15.087  15.087
  345    HG1  THR  53           HG1      THR  53  11.401  15.217  15.217
  346   1HG2  THR  53          HG22      THR  53  10.963  12.288  12.288
  347   2HG2  THR  53          HG21      THR  53  11.364  13.266  13.266
  348   3HG2  THR  53          HG23      THR  53   9.699  12.752  12.752
  349    H    GLY  54           HN       GLY  54   9.347  11.573  11.573
  350   1HA   GLY  54           HA2      GLY  54   6.722  11.658  11.658
  351   2HA   GLY  54           HA1      GLY  54   6.752  10.746  10.746
  352    H    TYR  55           HN       TYR  55   8.969  11.022  11.022
  353    HA   TYR  55           HA       TYR  55  10.035   8.429   8.429
  354   1HB   TYR  55           HB2      TYR  55   9.946  10.555  10.555
  355   2HB   TYR  55           HB1      TYR  55   9.555   9.060   9.060
  356    HD1  TYR  55           HD2      TYR  55  11.855   9.755   9.755
  357    HD2  TYR  55           HD1      TYR  55  11.484   8.357   8.357
  358    HE1  TYR  55           HE2      TYR  55  14.248   9.194   9.194
  359    HE2  TYR  55           HE1      TYR  55  13.864   7.768   7.768
  360    HH   TYR  55           HH       TYR  55  16.045   8.896   8.896
  361    H    ILE  56           HN       ILE  56   8.422   6.879   6.879
  362    HA   ILE  56           HA       ILE  56   6.278   6.479   6.479
  363    HB   ILE  56           HB       ILE  56   5.024   5.302   5.302
  364   1HG1  ILE  56          HG12      ILE  56   6.131   5.742   5.742
  365   2HG1  ILE  56          HG11      ILE  56   7.616   5.654   5.654
  366   1HG2  ILE  56          HG23      ILE  56   5.529   8.032   8.032
  367   2HG2  ILE  56          HG22      ILE  56   5.747   7.675   7.675
  368   3HG2  ILE  56          HG21      ILE  56   4.224   7.280   7.280
  369   1HD1  ILE  56          HD12      ILE  56   5.870   3.539   3.539
  370   2HD1  ILE  56          HD11      ILE  56   6.003   3.497   3.497
  371   3HD1  ILE  56          HD13      ILE  56   7.456   3.412   3.412
  372    HA   PRO  57           HA       PRO  57   8.250   2.746   2.746
  373   1HB   PRO  57           HB2      PRO  57   5.787   1.520   1.520
  374   2HB   PRO  57           HB1      PRO  57   6.956   2.345   2.345
  375   1HG   PRO  57           HG2      PRO  57   4.331   3.265   3.265
  376   2HG   PRO  57           HG1      PRO  57   5.481   4.066   4.066
  377   1HD   PRO  57           HD1      PRO  57   4.797   4.783   4.783
  378   2HD   PRO  57           HD2      PRO  57   5.939   5.596   5.596
  379    H    SER  58           HN       SER  58   8.422   0.534   0.534
  380    HA   SER  58           HA       SER  58   7.289   0.109   0.109
  381   1HB   SER  58           HB2      SER  58   9.023  -1.320  -1.320
  382   2HB   SER  58           HB1      SER  58   9.611  -0.700  -0.700
  383    HG   SER  58           HG       SER  58   9.466  -2.798  -2.798
  384    H    ASN  59           HN       ASN  59   6.620  -0.947  -0.947
  385    HA   ASN  59           HA       ASN  59   5.023  -3.249  -3.249
  386   1HB   ASN  59           HB2      ASN  59   6.060  -2.331  -2.331
  387   2HB   ASN  59           HB1      ASN  59   4.357  -1.905  -1.905
  388   1HD2  ASN  59          HD22      ASN  59   4.164  -5.286  -5.286
  389   2HD2  ASN  59          HD21      ASN  59   4.337  -3.674  -3.674
  390    H    TYR  60           HN       TYR  60   4.479   0.128   0.128
  391    HA   TYR  60           HA       TYR  60   1.524  -0.307  -0.307
  392   1HB   TYR  60           HB2      TYR  60   3.255   2.054   2.054
  393   2HB   TYR  60           HB1      TYR  60   1.631   2.333   2.333
  394    HD1  TYR  60           HD1      TYR  60   2.032  -0.763  -0.763
  395    HD2  TYR  60           HD2      TYR  60   1.205   3.379   3.379
  396    HE1  TYR  60           HE1      TYR  60   1.101  -1.220  -1.220
  397    HE2  TYR  60           HE2      TYR  60   0.278   2.921   2.921
  398    HH   TYR  60           HH       TYR  60  -0.829   0.793   0.793
  399    H    VAL  61           HN       VAL  61   3.877  -0.484  -0.484
  400    HA   VAL  61           HA       VAL  61   2.232   0.859   0.859
  401    HB   VAL  61           HB       VAL  61   4.117   2.328   2.328
  402   1HG1  VAL  61          HG12      VAL  61   5.460  -0.092  -0.092
  403   2HG1  VAL  61          HG11      VAL  61   6.272   0.602   0.602
  404   3HG1  VAL  61          HG13      VAL  61   6.129   1.537   1.537
  405   1HG2  VAL  61          HG21      VAL  61   3.401   1.893   1.893
  406   2HG2  VAL  61          HG23      VAL  61   5.085   2.394   2.394
  407   3HG2  VAL  61          HG22      VAL  61   4.691   0.697   0.697
  408    H    ALA  62           HN       ALA  62   2.835   0.032   0.032
  409    HA   ALA  62           HA       ALA  62   4.244  -2.488  -2.488
  410   1HB   ALA  62           HB2      ALA  62   1.231  -2.487  -2.487
  411   2HB   ALA  62           HB1      ALA  62   2.088  -3.733  -3.733
  412   3HB   ALA  62           HB3      ALA  62   2.384  -3.542  -3.542
  413    HA   PRO  63           HA       PRO  63   4.395  -1.117  -1.117
  414   1HB   PRO  63           HB2      PRO  63   4.368  -3.786  -3.786
  415   2HB   PRO  63           HB1      PRO  63   5.756  -2.714  -2.714
  416   1HG   PRO  63           HG2      PRO  63   5.090  -5.077  -5.077
  417   2HG   PRO  63           HG1      PRO  63   6.469  -3.997  -3.997
  418   1HD   PRO  63           HD1      PRO  63   4.118  -4.254  -4.254
  419   2HD   PRO  63           HD2      PRO  63   5.508  -3.178  -3.178
  420    H    SER  64           HN       SER  64   2.139  -0.334  -0.334
  421    HA   SER  64           HA       SER  64  -0.139  -0.372  -0.372
  422   1HB   SER  64           HB2      SER  64  -0.349  -1.660  -1.660
  423   2HB   SER  64           HB1      SER  64   0.498  -0.116  -0.116
  424    HG   SER  64           HG       SER  64   1.504  -2.698  -2.698
  425   1H    ARG  71           HT1      ARG  71  13.570   0.567   0.567
  426   2H    ARG  71           HT3      ARG  71  14.190   0.977   0.977
  427   3H    ARG  71           HT2      ARG  71  14.478   1.989   1.989
  428    HA   ARG  71           HA       ARG  71  12.412   2.898   2.898
  429   1HB   ARG  71           HB2      ARG  71  13.606   3.183   3.183
  430   2HB   ARG  71           HB1      ARG  71  12.520   1.937   1.937
  431   1HG   ARG  71           HG2      ARG  71  11.539   4.113   4.113
  432   2HG   ARG  71           HG1      ARG  71  10.581   3.324   3.324
  433   1HD   ARG  71           HD2      ARG  71  11.534   4.663   4.663
  434   2HD   ARG  71           HD1      ARG  71  12.848   5.205   5.205
  435    HE   ARG  71           HE       ARG  71  10.157   6.332   6.332
  436   1HH1  ARG  71          HH21      ARG  71  13.008   5.774   5.774
  437   2HH1  ARG  71          HH22      ARG  71  12.746   7.135   7.135
  438   1HH2  ARG  71          HH11      ARG  71   9.809   8.106   8.106
  439   2HH2  ARG  71          HH12      ARG  71  10.942   8.454   8.454
  440    H    ALA  72           HN       ALA  72  11.194   1.365   1.365
  441    HA   ALA  72           HA       ALA  72   9.994  -1.011  -1.011
  442   1HB   ALA  72           HB3      ALA  72   9.470   1.062   1.062
  443   2HB   ALA  72           HB2      ALA  72   7.938   0.501   0.501
  444   3HB   ALA  72           HB1      ALA  72   9.041  -0.648  -0.648
  445    H    LEU  73           HN       LEU  73   9.132  -1.407  -1.407
  446    HA   LEU  73           HA       LEU  73   7.887   0.500   0.500
  447   1HB   LEU  73           HB2      LEU  73   7.305  -2.475  -2.475
  448   2HB   LEU  73           HB1      LEU  73   7.075  -1.398  -1.398
  449    HG   LEU  73           HG       LEU  73   9.733  -2.036  -2.036
  450   1HD1  LEU  73          HD12      LEU  73   8.574  -2.835  -2.835
  451   2HD1  LEU  73          HD11      LEU  73  10.215  -3.182  -3.182
  452   3HD1  LEU  73          HD13      LEU  73   8.838  -3.913  -3.913
  453   1HD2  LEU  73          HD23      LEU  73   9.497   0.278   0.278
  454   2HD2  LEU  73          HD22      LEU  73  10.718  -0.701  -0.701
  455   3HD2  LEU  73          HD21      LEU  73   9.141  -0.457  -0.457
  456    HA   PRO  74           HA       PRO  74   3.955   1.170   1.170
  457   1HB   PRO  74           HB2      PRO  74   2.597   1.410   1.410
  458   2HB   PRO  74           HB1      PRO  74   3.232   2.714   2.714
  459   1HG   PRO  74           HG2      PRO  74   4.262   1.740   1.740
  460   2HG   PRO  74           HG1      PRO  74   4.836   3.109   3.109
  461   1HD   PRO  74           HD1      PRO  74   6.097   0.543   0.543
  462   2HD   PRO  74           HD2      PRO  74   6.651   1.903   1.903
  463    HA   PRO  75           HA       PRO  75   2.612  -3.143  -3.143
  464   1HB   PRO  75           HB2      PRO  75   0.730  -2.542  -2.542
  465   2HB   PRO  75           HB1      PRO  75   2.197  -3.526  -3.526
  466   1HG   PRO  75           HG2      PRO  75   1.786  -0.900  -0.900
  467   2HG   PRO  75           HG1      PRO  75   3.271  -1.858  -1.858
  468   1HD   PRO  75           HD1      PRO  75   2.706   0.502   0.502
  469   2HD   PRO  75           HD2      PRO  75   4.209  -0.438  -0.438
  470    H    LEU  76           HN       LEU  76   0.462  -4.127  -4.127
  471    HA   LEU  76           HA       LEU  76  -1.160  -2.346  -2.346
  472   1HB   LEU  76           HB2      LEU  76  -1.377  -5.297  -5.297
  473   2HB   LEU  76           HB1      LEU  76  -2.469  -4.459  -4.459
  474    HG   LEU  76           HG       LEU  76   0.543  -4.480  -4.480
  475   1HD1  LEU  76          HD11      LEU  76  -0.955  -6.716  -6.716
  476   2HD1  LEU  76          HD13      LEU  76  -1.221  -6.036  -6.036
  477   3HD1  LEU  76          HD12      LEU  76   0.418  -6.386  -6.386
  478   1HD2  LEU  76          HD23      LEU  76  -1.317  -2.794  -2.794
  479   2HD2  LEU  76          HD22      LEU  76   0.191  -3.231  -3.231
  480   3HD2  LEU  76          HD21      LEU  76  -1.302  -4.080  -4.080
  481    HA   PRO  77           HA       PRO  77  -4.357  -1.313  -1.313
  482   1HB   PRO  77           HB2      PRO  77  -6.509  -2.055  -2.055
  483   2HB   PRO  77           HB1      PRO  77  -5.880  -0.437  -0.437
  484   1HG   PRO  77           HG2      PRO  77  -5.540  -2.006  -2.006
  485   2HG   PRO  77           HG1      PRO  77  -4.900  -0.394  -0.394
  486   1HD   PRO  77           HD1      PRO  77  -3.447  -2.883  -2.883
  487   2HD   PRO  77           HD2      PRO  77  -2.805  -1.265  -1.265
  488    H    ARG  78           HN       ARG  78  -5.915  -2.317  -2.317
  489    HA   ARG  78           HA       ARG  78  -5.566  -4.957  -4.957
  490   1HB   ARG  78           HB2      ARG  78  -8.068  -4.818  -4.818
  491   2HB   ARG  78           HB1      ARG  78  -6.871  -3.756  -3.756
  492   1HG   ARG  78           HG2      ARG  78  -8.984  -2.594  -2.594
  493   2HG   ARG  78           HG1      ARG  78  -7.513  -1.924  -1.924
  494   1HD   ARG  78           HD2      ARG  78  -7.942  -2.860  -2.860
  495   2HD   ARG  78           HD1      ARG  78  -9.037  -4.077  -4.077
  496    HE   ARG  78           HE       ARG  78 -10.046  -1.389  -1.389
  497   1HH1  ARG  78          HH21      ARG  78  -9.659  -3.976  -3.976
  498   2HH1  ARG  78          HH22      ARG  78 -11.037  -3.528  -3.528
  499   1HH2  ARG  78          HH11      ARG  78 -11.846  -0.797  -0.797
  500   2HH2  ARG  78          HH12      ARG  78 -12.274  -1.732  -1.732
  501    H    TYR  79           HN       TYR  79  -7.160  -6.827  -6.827
  502    HA   TYR  79           HA       TYR  79  -8.133  -6.915  -6.915
  503   1HB   TYR  79           HB2      TYR  79  -7.821  -9.513  -9.513
  504   2HB   TYR  79           HB1      TYR  79  -6.468  -8.522  -8.522
  505    HD1  TYR  79           HD1      TYR  79  -8.017 -10.142 -10.142
  506    HD2  TYR  79           HD2      TYR  79  -4.667  -7.933  -7.933
  507    HE1  TYR  79           HE1      TYR  79  -6.801 -10.665 -10.665
  508    HE2  TYR  79           HE2      TYR  79  -3.452  -8.456  -8.456
  509    HH   TYR  79           HH       TYR  79  -3.454 -10.101 -10.101

  Start of MODEL    3
    1   1H    THR   9           HT2      THR   9   5.730   0.970   0.970
    2   2H    THR   9           HT1      THR   9   6.189   2.382   2.382
    3   3H    THR   9           HT3      THR   9   6.779   2.082   2.082
    4    HA   THR   9           HA       THR   9   5.075   3.711   3.711
    5    HB   THR   9           HB       THR   9   3.085   1.801   1.801
    6    HG1  THR   9           HG1      THR   9   4.561   3.723   3.723
    7   1HG2  THR   9          HG21      THR   9   3.321   4.779   4.779
    8   2HG2  THR   9          HG23      THR   9   2.103   4.091   4.091
    9   3HG2  THR   9          HG22      THR   9   2.104   3.676   3.676
   10    H    PHE  10           HN       PHE  10   4.582   3.610   3.610
   11    HA   PHE  10           HA       PHE  10   3.697   0.973   0.973
   12   1HB   PHE  10           HB2      PHE  10   5.446   3.152   3.152
   13   2HB   PHE  10           HB1      PHE  10   4.504   2.170   2.170
   14    HD1  PHE  10           HD1      PHE  10   6.227   1.309   1.309
   15    HD2  PHE  10           HD2      PHE  10   5.952   0.591   0.591
   16    HE1  PHE  10           HE1      PHE  10   7.869  -0.506  -0.506
   17    HE2  PHE  10           HE2      PHE  10   7.595  -1.222  -1.222
   18    HZ   PHE  10           HZ       PHE  10   8.555  -1.772  -1.772
   19    H    VAL  11           HN       VAL  11   2.070   1.083   1.083
   20    HA   VAL  11           HA       VAL  11   0.503   3.628   3.628
   21    HB   VAL  11           HB       VAL  11  -0.877   0.962   0.962
   22   1HG1  VAL  11          HG13      VAL  11  -1.599   3.755   3.755
   23   2HG1  VAL  11          HG12      VAL  11  -2.657   2.358   2.358
   24   3HG1  VAL  11          HG11      VAL  11  -2.218   2.911   2.911
   25   1HG2  VAL  11          HG22      VAL  11   0.441   2.229   2.229
   26   2HG2  VAL  11          HG21      VAL  11   0.120   0.526   0.526
   27   3HG2  VAL  11          HG23      VAL  11  -1.177   1.575   1.575
   28    H    ALA  12           HN       ALA  12  -0.102   4.279   4.279
   29    HA   ALA  12           HA       ALA  12   0.883   2.827   2.827
   30   1HB   ALA  12           HB1      ALA  12  -0.834   5.286   5.286
   31   2HB   ALA  12           HB3      ALA  12  -0.505   4.613   4.613
   32   3HB   ALA  12           HB2      ALA  12   0.825   5.186   5.186
   33    H    LEU  13           HN       LEU  13  -0.117   0.892   0.892
   34    HA   LEU  13           HA       LEU  13  -2.853   0.288   0.288
   35   1HB   LEU  13           HB2      LEU  13  -1.123  -0.936  -0.936
   36   2HB   LEU  13           HB1      LEU  13  -2.531  -1.667  -1.667
   37    HG   LEU  13           HG       LEU  13  -0.160  -0.795  -0.795
   38   1HD1  LEU  13          HD11      LEU  13  -0.368  -3.061  -3.061
   39   2HD1  LEU  13          HD13      LEU  13   0.157  -3.500  -3.500
   40   3HD1  LEU  13          HD12      LEU  13   1.066  -2.306  -2.306
   41   1HD2  LEU  13          HD21      LEU  13  -2.687  -1.839  -1.839
   42   2HD2  LEU  13          HD23      LEU  13  -1.309  -1.775  -1.775
   43   3HD2  LEU  13          HD22      LEU  13  -1.604  -3.224  -3.224
   44    H    TYR  14           HN       TYR  14  -1.261   1.300   1.300
   45    HA   TYR  14           HA       TYR  14  -3.989   1.895   1.895
   46   1HB   TYR  14           HB2      TYR  14  -1.608   1.838   1.838
   47   2HB   TYR  14           HB1      TYR  14  -3.264   1.330   1.330
   48    HD1  TYR  14           HD1      TYR  14  -3.600  -0.436  -0.436
   49    HD2  TYR  14           HD2      TYR  14  -0.458  -0.157  -0.157
   50    HE1  TYR  14           HE1      TYR  14  -2.971  -2.761  -2.761
   51    HE2  TYR  14           HE2      TYR  14   0.166  -2.482  -2.482
   52    HH   TYR  14           HH       TYR  14  -1.357  -4.322  -4.322
   53    H    ASP  15           HN       ASP  15  -3.899   3.802   3.802
   54    HA   ASP  15           HA       ASP  15  -2.649   6.072   6.072
   55   1HB   ASP  15           HB2      ASP  15  -4.905   6.469   6.469
   56   2HB   ASP  15           HB1      ASP  15  -4.607   5.848   5.848
   57    H    TYR  16           HN       TYR  16  -0.555   6.500   6.500
   58    HA   TYR  16           HA       TYR  16   0.490   5.773   5.773
   59   1HB   TYR  16           HB2      TYR  16   1.942   5.406   5.406
   60   2HB   TYR  16           HB1      TYR  16   1.772   7.086   7.086
   61    HD1  TYR  16           HD1      TYR  16   2.204   5.822   5.822
   62    HD2  TYR  16           HD2      TYR  16   4.015   7.887   7.887
   63    HE1  TYR  16           HE1      TYR  16   4.086   6.440   6.440
   64    HE2  TYR  16           HE2      TYR  16   5.898   8.508   8.508
   65    HH   TYR  16           HH       TYR  16   6.121   7.340   7.340
   66    H    GLU  17           HN       GLU  17  -0.060   7.143   7.143
   67    HA   GLU  17           HA       GLU  17  -0.106  10.071  10.071
   68   1HB   GLU  17           HB2      GLU  17  -1.554   8.279   8.279
   69   2HB   GLU  17           HB1      GLU  17  -1.075   9.838   9.838
   70   1HG   GLU  17           HG2      GLU  17  -2.195  11.016  11.016
   71   2HG   GLU  17           HG1      GLU  17  -2.571   9.490   9.490
   72    H    SER  18           HN       SER  18   2.362   9.821   9.821
   73    HA   SER  18           HA       SER  18   3.780   9.164   9.164
   74   1HB   SER  18           HB2      SER  18   5.639   9.860   9.860
   75   2HB   SER  18           HB1      SER  18   4.535   9.835   9.835
   76    HG   SER  18           HG       SER  18   4.853  11.886  11.886
   77    H    ARG  19           HN       ARG  19   4.934  10.779  10.779
   78    HA   ARG  19           HA       ARG  19   3.192  13.165  13.165
   79   1HB   ARG  19           HB2      ARG  19   4.403  11.154  11.154
   80   2HB   ARG  19           HB1      ARG  19   4.284  12.820  12.820
   81   1HG   ARG  19           HG2      ARG  19   1.877  11.639  11.639
   82   2HG   ARG  19           HG1      ARG  19   2.273  11.073  11.073
   83   1HD   ARG  19           HD2      ARG  19   2.389  14.012  14.012
   84   2HD   ARG  19           HD1      ARG  19   0.788  13.290  13.290
   85    HE   ARG  19           HE       ARG  19   1.013  12.575  12.575
   86   1HH1  ARG  19          HH21      ARG  19   3.764  14.332  14.332
   87   2HH1  ARG  19          HH22      ARG  19   4.409  14.613  14.613
   88   1HH2  ARG  19          HH11      ARG  19   1.868  12.955  12.955
   89   2HH2  ARG  19          HH12      ARG  19   3.347  13.840  13.840
   90    H    THR  20           HN       THR  20   5.497  13.132  13.132
   91    HA   THR  20           HA       THR  20   7.034  15.277  15.277
   92    HB   THR  20           HB       THR  20   8.174  13.087  13.087
   93    HG1  THR  20           HG1      THR  20   9.148  15.330  15.330
   94   1HG2  THR  20          HG23      THR  20   7.676  12.000  12.000
   95   2HG2  THR  20          HG22      THR  20   8.866  13.073  13.073
   96   3HG2  THR  20          HG21      THR  20   9.371  11.897  11.897
   97    H    GLU  21           HN       GLU  21   7.970  16.666  16.666
   98    HA   GLU  21           HA       GLU  21   6.863  16.615  16.615
   99   1HB   GLU  21           HB2      GLU  21   8.154  18.583  18.583
  100   2HB   GLU  21           HB1      GLU  21   7.704  18.641  18.641
  101   1HG   GLU  21           HG2      GLU  21   9.892  18.806  18.806
  102   2HG   GLU  21           HG1      GLU  21  10.106  17.165  17.165
  103    H    THR  22           HN       THR  22   9.722  15.195  15.195
  104    HA   THR  22           HA       THR  22  11.419  14.974  14.974
  105    HB   THR  22           HB       THR  22  10.952  12.635  12.635
  106    HG1  THR  22           HG1      THR  22  12.350  15.028  15.028
  107   1HG2  THR  22          HG22      THR  22  12.912  13.404  13.404
  108   2HG2  THR  22          HG21      THR  22  13.675  13.443  13.443
  109   3HG2  THR  22          HG23      THR  22  12.897  11.966  11.966
  110    H    ASP  23           HN       ASP  23   9.325  12.259  12.259
  111    HA   ASP  23           HA       ASP  23   9.245  11.292  11.292
  112   1HB   ASP  23           HB2      ASP  23   7.459  10.103  10.103
  113   2HB   ASP  23           HB1      ASP  23   8.489   9.304   9.304
  114    H    LEU  24           HN       LEU  24   7.492  11.467  11.467
  115    HA   LEU  24           HA       LEU  24   5.405  13.390  13.390
  116   1HB   LEU  24           HB2      LEU  24   6.232  12.072  12.072
  117   2HB   LEU  24           HB1      LEU  24   4.655  12.844  12.844
  118    HG   LEU  24           HG       LEU  24   6.670  14.273  14.273
  119   1HD1  LEU  24          HD13      LEU  24   4.290  14.910  14.910
  120   2HD1  LEU  24          HD12      LEU  24   5.333  15.615  15.615
  121   3HD1  LEU  24          HD11      LEU  24   5.478  16.136  16.136
  122   1HD2  LEU  24          HD22      LEU  24   8.048  13.467  13.467
  123   2HD2  LEU  24          HD21      LEU  24   8.135  15.172  15.172
  124   3HD2  LEU  24          HD23      LEU  24   7.112  14.656  14.656
  125    H    SER  25           HN       SER  25   3.179  12.895  12.895
  126    HA   SER  25           HA       SER  25   2.593  10.013  10.013
  127   1HB   SER  25           HB2      SER  25   0.350  11.681  11.681
  128   2HB   SER  25           HB1      SER  25   1.370  10.787  10.787
  129    HG   SER  25           HG       SER  25   1.723  13.417  13.417
  130    H    PHE  26           HN       PHE  26   0.899   8.979   8.979
  131    HA   PHE  26           HA       PHE  26  -0.311  10.575  10.575
  132   1HB   PHE  26           HB2      PHE  26  -0.113   8.316   8.316
  133   2HB   PHE  26           HB1      PHE  26   1.293   9.374   9.374
  134    HD1  PHE  26           HD2      PHE  26  -0.226   6.249   6.249
  135    HD2  PHE  26           HD1      PHE  26   3.198   8.773   8.773
  136    HE1  PHE  26           HE2      PHE  26   1.046   4.441   4.441
  137    HE2  PHE  26           HE1      PHE  26   4.467   6.963   6.963
  138    HZ   PHE  26           HZ       PHE  26   3.393   4.795   4.795
  139    H    LYS  27           HN       LYS  27  -2.218   9.328   9.328
  140    HA   LYS  27           HA       LYS  27  -3.693   7.958   7.958
  141   1HB   LYS  27           HB2      LYS  27  -4.729   9.674   9.674
  142   2HB   LYS  27           HB1      LYS  27  -5.760   8.786   8.786
  143   1HG   LYS  27           HG2      LYS  27  -4.322  10.046  10.046
  144   2HG   LYS  27           HG1      LYS  27  -4.024  11.178  11.178
  145   1HD   LYS  27           HD2      LYS  27  -6.003  11.849  11.849
  146   2HD   LYS  27           HD1      LYS  27  -6.454  11.433  11.433
  147   1HE   LYS  27           HE2      LYS  27  -6.523   9.032   9.032
  148   2HE   LYS  27           HE1      LYS  27  -7.397  10.267  10.267
  149   1HZ   LYS  27           HZ2      LYS  27  -7.848   9.825   9.825
  150   2HZ   LYS  27           HZ1      LYS  27  -8.704   8.960   8.960
  151   3HZ   LYS  27           HZ3      LYS  27  -8.837  10.651  10.651
  152    H    LYS  28           HN       LYS  28  -5.341   6.349   6.349
  153    HA   LYS  28           HA       LYS  28  -4.115   4.456   4.456
  154   1HB   LYS  28           HB2      LYS  28  -5.649   3.658   3.658
  155   2HB   LYS  28           HB1      LYS  28  -6.944   4.681   4.681
  156   1HG   LYS  28           HG2      LYS  28  -5.852   3.013   3.013
  157   2HG   LYS  28           HG1      LYS  28  -6.388   2.027   2.027
  158   1HD   LYS  28           HD2      LYS  28  -8.479   3.704   3.704
  159   2HD   LYS  28           HD1      LYS  28  -7.975   3.781   3.781
  160   1HE   LYS  28           HE2      LYS  28  -9.265   1.906   1.906
  161   2HE   LYS  28           HE1      LYS  28  -7.831   1.099   1.099
  162   1HZ   LYS  28           HZ3      LYS  28  -8.757   1.483   1.483
  163   2HZ   LYS  28           HZ2      LYS  28 -10.193   2.029   2.029
  164   3HZ   LYS  28           HZ1      LYS  28  -9.682   0.427   0.427
  165    H    GLY  29           HN       GLY  29  -4.135   4.433   4.433
  166   1HA   GLY  29           HA2      GLY  29  -5.437   4.528   4.528
  167   2HA   GLY  29           HA1      GLY  29  -6.355   5.862   5.862
  168    H    GLU  30           HN       GLU  30  -3.430   6.614   6.614
  169    HA   GLU  30           HA       GLU  30  -2.955   8.499   8.499
  170   1HB   GLU  30           HB2      GLU  30  -2.764   9.159   9.159
  171   2HB   GLU  30           HB1      GLU  30  -1.350   8.112   8.112
  172   1HG   GLU  30           HG2      GLU  30  -0.036   9.510   9.510
  173   2HG   GLU  30           HG1      GLU  30  -1.399  10.090  10.090
  174    H    ARG  31           HN       ARG  31  -1.595   8.044   8.044
  175    HA   ARG  31           HA       ARG  31   0.111   5.657   5.657
  176   1HB   ARG  31           HB2      ARG  31   0.037   7.668   7.668
  177   2HB   ARG  31           HB1      ARG  31   0.430   5.951   5.951
  178   1HG   ARG  31           HG2      ARG  31  -2.159   6.122   6.122
  179   2HG   ARG  31           HG1      ARG  31  -2.147   7.224   7.224
  180   1HD   ARG  31           HD2      ARG  31  -0.771   4.932   4.932
  181   2HD   ARG  31           HD1      ARG  31  -2.166   4.324   4.324
  182    HE   ARG  31           HE       ARG  31  -2.867   6.461   6.461
  183   1HH1  ARG  31          HH21      ARG  31  -2.229   3.091   3.091
  184   2HH1  ARG  31          HH22      ARG  31  -3.188   2.615   2.615
  185   1HH2  ARG  31          HH11      ARG  31  -4.118   5.852   5.852
  186   2HH2  ARG  31          HH12      ARG  31  -4.255   4.175   4.175
  187    H    LEU  32           HN       LEU  32   2.110   5.802   5.802
  188    HA   LEU  32           HA       LEU  32   3.500   8.438   8.438
  189   1HB   LEU  32           HB2      LEU  32   4.280   6.008   6.008
  190   2HB   LEU  32           HB1      LEU  32   4.788   7.679   7.679
  191    HG   LEU  32           HG       LEU  32   1.861   7.238   7.238
  192   1HD1  LEU  32          HD11      LEU  32   3.724   5.802   5.802
  193   2HD1  LEU  32          HD13      LEU  32   2.344   6.601   6.601
  194   3HD1  LEU  32          HD12      LEU  32   2.084   5.381   5.381
  195   1HD2  LEU  32          HD21      LEU  32   3.752   9.163   9.163
  196   2HD2  LEU  32          HD23      LEU  32   2.001   9.221   9.221
  197   3HD2  LEU  32          HD22      LEU  32   3.014   8.515   8.515
  198    H    GLN  33           HN       GLN  33   5.344   8.672   8.672
  199    HA   GLN  33           HA       GLN  33   6.175   6.413   6.413
  200   1HB   GLN  33           HB2      GLN  33   6.060   9.101   9.101
  201   2HB   GLN  33           HB1      GLN  33   7.765   8.909   8.909
  202   1HG   GLN  33           HG2      GLN  33   8.018   7.189   7.189
  203   2HG   GLN  33           HG1      GLN  33   6.293   7.256   7.256
  204   1HE2  GLN  33          HE22      GLN  33   8.791   9.994   9.994
  205   2HE2  GLN  33          HE21      GLN  33   9.370   8.746   8.746
  206    H    ILE  34           HN       ILE  34   7.371   4.931   4.931
  207    HA   ILE  34           HA       ILE  34   9.058   5.425   5.425
  208    HB   ILE  34           HB       ILE  34   9.469   3.357   3.357
  209   1HG1  ILE  34          HG12      ILE  34   7.240   3.142   3.142
  210   2HG1  ILE  34          HG11      ILE  34   8.230   1.889   1.889
  211   1HG2  ILE  34          HG22      ILE  34  11.239   3.985   3.985
  212   2HG2  ILE  34          HG21      ILE  34  10.206   2.872   2.872
  213   3HG2  ILE  34          HG23      ILE  34  11.008   2.335   2.335
  214   1HD1  ILE  34          HD11      ILE  34   8.571   3.366   3.366
  215   2HD1  ILE  34          HD13      ILE  34   7.523   4.573   4.573
  216   3HD1  ILE  34          HD12      ILE  34   6.865   3.009   3.009
  217    H    VAL  35           HN       VAL  35  11.288   5.892   5.892
  218    HA   VAL  35           HA       VAL  35  12.482   7.135   7.135
  219    HB   VAL  35           HB       VAL  35  13.108   7.573   7.573
  220   1HG1  VAL  35          HG12      VAL  35  14.183   8.891   8.891
  221   2HG1  VAL  35          HG11      VAL  35  14.498   9.452   9.452
  222   3HG1  VAL  35          HG13      VAL  35  15.095   7.878   7.878
  223   1HG2  VAL  35          HG23      VAL  35  10.945   8.497   8.497
  224   2HG2  VAL  35          HG22      VAL  35  11.704   9.372   9.372
  225   3HG2  VAL  35          HG21      VAL  35  12.119   9.769   9.769
  226    H    ASN  36           HN       ASN  36  13.740   5.646   5.646
  227    HA   ASN  36           HA       ASN  36  15.232   3.655   3.655
  228   1HB   ASN  36           HB2      ASN  36  16.489   6.058   6.058
  229   2HB   ASN  36           HB1      ASN  36  17.011   5.129   5.129
  230   1HD2  ASN  36          HD22      ASN  36  17.973   3.614   3.614
  231   2HD2  ASN  36          HD21      ASN  36  16.510   4.453   4.453
  232    H    ASN  37           HN       ASN  37  17.034   2.920   2.920
  233    HA   ASN  37           HA       ASN  37  17.094   1.691   1.691
  234   1HB   ASN  37           HB2      ASN  37  14.613   3.207   3.207
  235   2HB   ASN  37           HB1      ASN  37  15.863   2.525   2.525
  236   1HD2  ASN  37          HD22      ASN  37  16.415   6.191   6.191
  237   2HD2  ASN  37          HD21      ASN  37  15.058   5.250   5.250
  238    H    THR  38           HN       THR  38  16.559  -0.406  -0.406
  239    HA   THR  38           HA       THR  38  13.716  -1.055  -1.055
  240    HB   THR  38           HB       THR  38  15.039  -2.090  -2.090
  241    HG1  THR  38           HG1      THR  38  15.186  -4.331  -4.331
  242   1HG2  THR  38          HG23      THR  38  17.005  -2.661  -2.661
  243   2HG2  THR  38          HG22      THR  38  17.174  -3.289  -3.289
  244   3HG2  THR  38          HG21      THR  38  17.222  -1.549  -1.549
  245    H    GLU  39           HN       GLU  39  16.378  -1.878  -1.878
  246    HA   GLU  39           HA       GLU  39  14.455  -3.389  -3.389
  247   1HB   GLU  39           HB2      GLU  39  17.111  -3.550  -3.550
  248   2HB   GLU  39           HB1      GLU  39  16.154  -4.832  -4.832
  249   1HG   GLU  39           HG2      GLU  39  16.907  -3.986  -3.986
  250   2HG   GLU  39           HG1      GLU  39  18.017  -2.908  -2.908
  251    H    GLY  40           HN       GLY  40  15.006  -3.089  -3.089
  252   1HA   GLY  40           HA2      GLY  40  15.829  -1.518  -1.518
  253   2HA   GLY  40           HA1      GLY  40  15.670  -0.224  -0.224
  254    H    ASP  41           HN       ASP  41  13.031  -1.490  -1.490
  255    HA   ASP  41           HA       ASP  41  10.767  -1.533  -1.533
  256   1HB   ASP  41           HB2      ASP  41  11.577  -0.407  -0.407
  257   2HB   ASP  41           HB1      ASP  41  10.161  -1.380  -1.380
  258    H    TRP  42           HN       TRP  42  12.874   1.215   1.215
  259    HA   TRP  42           HA       TRP  42  10.565   3.018   3.018
  260   1HB   TRP  42           HB2      TRP  42  13.134   3.514   3.514
  261   2HB   TRP  42           HB1      TRP  42  12.001   4.791   4.791
  262    HD1  TRP  42           HD1      TRP  42  12.452   1.894   1.894
  263    HE1  TRP  42           HE1      TRP  42  10.469   1.971   1.971
  264    HE3  TRP  42           HE3      TRP  42   9.759   5.355   5.355
  265    HZ2  TRP  42           HZ2      TRP  42   7.942   3.448   3.448
  266    HZ3  TRP  42           HZ3      TRP  42   7.596   6.138   6.138
  267    HH2  TRP  42           HH2      TRP  42   6.682   5.175   5.175
  268    H    TRP  43           HN       TRP  43  10.639   3.378   3.378
  269    HA   TRP  43           HA       TRP  43  13.289   3.931   3.931
  270   1HB   TRP  43           HB2      TRP  43  10.607   3.422   3.422
  271   2HB   TRP  43           HB1      TRP  43  12.176   3.503   3.503
  272    HD1  TRP  43           HD1      TRP  43  13.910   1.709   1.709
  273    HE1  TRP  43           HE1      TRP  43  13.379  -0.760  -0.760
  274    HE3  TRP  43           HE3      TRP  43   9.304   1.842   1.842
  275    HZ2  TRP  43           HZ2      TRP  43  11.133  -2.555  -2.555
  276    HZ3  TRP  43           HZ3      TRP  43   7.945  -0.187  -0.187
  277    HH2  TRP  43           HH2      TRP  43   8.857  -2.384  -2.384
  278    H    LEU  44           HN       LEU  44  12.834   5.611   5.611
  279    HA   LEU  44           HA       LEU  44  11.529   7.967   7.967
  280   1HB   LEU  44           HB2      LEU  44  14.001   8.116   8.116
  281   2HB   LEU  44           HB1      LEU  44  13.616   7.980   7.980
  282    HG   LEU  44           HG       LEU  44  11.952   9.961   9.961
  283   1HD1  LEU  44          HD13      LEU  44  12.377   9.865   9.865
  284   2HD1  LEU  44          HD12      LEU  44  14.062  10.288  10.288
  285   3HD1  LEU  44          HD11      LEU  44  12.783  11.439  11.439
  286   1HD2  LEU  44          HD22      LEU  44  14.397   9.773   9.773
  287   2HD2  LEU  44          HD21      LEU  44  13.468  11.269  11.269
  288   3HD2  LEU  44          HD23      LEU  44  14.743  10.939  10.939
  289    H    ALA  45           HN       ALA  45   9.552   8.373   8.373
  290    HA   ALA  45           HA       ALA  45   9.202   7.757   7.757
  291   1HB   ALA  45           HB2      ALA  45   7.165   7.865   7.865
  292   2HB   ALA  45           HB1      ALA  45   6.757   7.646   7.646
  293   3HB   ALA  45           HB3      ALA  45   7.712   6.426   6.426
  294    H    HIS  46           HN       HIS  46   7.670   9.231   9.231
  295    HA   HIS  46           HA       HIS  46   7.678  11.994  11.994
  296   1HB   HIS  46           HB2      HIS  46   9.414  12.123  12.123
  297   2HB   HIS  46           HB1      HIS  46   8.590  11.037  11.037
  298    HD1  HIS  46           HD1      HIS  46   8.169  14.500  14.500
  299    HD2  HIS  46           HD2      HIS  46   7.032  12.285  12.285
  300    HE1  HIS  46           HE1      HIS  46   7.052  16.065  16.065
  301    H    SER  47           HN       SER  47   5.536  12.420  12.420
  302    HA   SER  47           HA       SER  47   3.415  11.109  11.109
  303   1HB   SER  47           HB2      SER  47   3.443  13.665  13.665
  304   2HB   SER  47           HB1      SER  47   1.976  12.896  12.896
  305    HG   SER  47           HG       SER  47   3.790  11.309  11.309
  306    H    LEU  48           HN       LEU  48   1.973  12.038  12.038
  307    HA   LEU  48           HA       LEU  48   3.342  14.054  14.054
  308   1HB   LEU  48           HB2      LEU  48   0.959  12.414  12.414
  309   2HB   LEU  48           HB1      LEU  48   2.231  13.112  13.112
  310    HG   LEU  48           HG       LEU  48   2.731  10.923  10.923
  311   1HD1  LEU  48          HD13      LEU  48   1.249  10.624  10.624
  312   2HD1  LEU  48          HD12      LEU  48   2.880  10.241  10.241
  313   3HD1  LEU  48          HD11      LEU  48   2.164   9.337   9.337
  314   1HD2  LEU  48          HD21      LEU  48   4.528  12.601  12.601
  315   2HD2  LEU  48          HD23      LEU  48   4.901  10.900  10.900
  316   3HD2  LEU  48          HD22      LEU  48   4.437  11.442  11.442
  317    H    THR  49           HN       THR  49   1.367  14.290  14.290
  318    HA   THR  49           HA       THR  49  -0.772  15.886  15.886
  319    HB   THR  49           HB       THR  49  -0.310  15.286  15.286
  320    HG1  THR  49           HG1      THR  49  -1.651  13.600  13.600
  321   1HG2  THR  49          HG23      THR  49  -2.162  16.980  16.980
  322   2HG2  THR  49          HG22      THR  49  -3.024  15.720  15.720
  323   3HG2  THR  49          HG21      THR  49  -1.938  16.812  16.812
  324    H    THR  50           HN       THR  50   1.166  16.503  16.503
  325    HA   THR  50           HA       THR  50   1.172  19.372  19.372
  326    HB   THR  50           HB       THR  50   0.927  18.468  18.468
  327    HG1  THR  50           HG1      THR  50   2.307  20.029  20.029
  328   1HG2  THR  50          HG22      THR  50   2.623  16.640  16.640
  329   2HG2  THR  50          HG21      THR  50   3.883  17.873  17.873
  330   3HG2  THR  50          HG23      THR  50   2.872  17.596  17.596
  331    H    GLY  51           HN       GLY  51   3.325  16.643  16.643
  332   1HA   GLY  51           HA2      GLY  51   5.274  16.571  16.571
  333   2HA   GLY  51           HA1      GLY  51   5.216  18.328  18.328
  334    H    GLN  52           HN       GLN  52   5.472  16.028  16.028
  335    HA   GLN  52           HA       GLN  52   7.966  17.454  17.454
  336   1HB   GLN  52           HB2      GLN  52   5.453  17.048  17.048
  337   2HB   GLN  52           HB1      GLN  52   6.986  16.906  16.906
  338   1HG   GLN  52           HG2      GLN  52   7.436  19.164  19.164
  339   2HG   GLN  52           HG1      GLN  52   5.698  19.294  19.294
  340   1HE2  GLN  52          HE22      GLN  52   6.081  20.187  20.187
  341   2HE2  GLN  52          HE21      GLN  52   5.048  20.034  20.034
  342    H    THR  53           HN       THR  53   9.404  16.121  16.121
  343    HA   THR  53           HA       THR  53   9.061  13.245  13.245
  344    HB   THR  53           HB       THR  53  11.287  15.032  15.032
  345    HG1  THR  53           HG1      THR  53  11.186  12.224  12.224
  346   1HG2  THR  53          HG21      THR  53  11.488  12.750  12.750
  347   2HG2  THR  53          HG23      THR  53  12.871  13.652  13.652
  348   3HG2  THR  53          HG22      THR  53  11.649  14.470  14.470
  349    H    GLY  54           HN       GLY  54   9.670  11.671  11.671
  350   1HA   GLY  54           HA2      GLY  54   9.749  12.370  12.370
  351   2HA   GLY  54           HA1      GLY  54   8.062  12.108  12.108
  352    H    TYR  55           HN       TYR  55  10.590  10.558  10.558
  353    HA   TYR  55           HA       TYR  55  10.737   8.067   8.067
  354   1HB   TYR  55           HB2      TYR  55  10.846   8.272   8.272
  355   2HB   TYR  55           HB1      TYR  55  11.797   7.251   7.251
  356    HD1  TYR  55           HD1      TYR  55  13.353   8.524   8.524
  357    HD2  TYR  55           HD2      TYR  55  11.779  10.288  10.288
  358    HE1  TYR  55           HE1      TYR  55  15.148  10.199  10.199
  359    HE2  TYR  55           HE2      TYR  55  13.563  11.968  11.968
  360    HH   TYR  55           HH       TYR  55  15.245  12.804  12.804
  361    H    ILE  56           HN       ILE  56   9.173   6.556   6.556
  362    HA   ILE  56           HA       ILE  56   6.799   6.671   6.671
  363    HB   ILE  56           HB       ILE  56   5.601   5.481   5.481
  364   1HG1  ILE  56          HG12      ILE  56   7.203   5.783   5.783
  365   2HG1  ILE  56          HG11      ILE  56   8.350   5.238   5.238
  366   1HG2  ILE  56          HG23      ILE  56   5.882   8.040   8.040
  367   2HG2  ILE  56          HG22      ILE  56   7.052   7.856   7.856
  368   3HG2  ILE  56          HG21      ILE  56   5.373   7.372   7.372
  369   1HD1  ILE  56          HD12      ILE  56   6.302   3.554   3.554
  370   2HD1  ILE  56          HD11      ILE  56   6.045   3.806   3.806
  371   3HD1  ILE  56          HD13      ILE  56   7.586   3.172   3.172
  372    HA   PRO  57           HA       PRO  57   8.005   2.849   2.849
  373   1HB   PRO  57           HB2      PRO  57   5.275   2.025   2.025
  374   2HB   PRO  57           HB1      PRO  57   6.386   2.703   2.703
  375   1HG   PRO  57           HG2      PRO  57   4.110   3.990   3.990
  376   2HG   PRO  57           HG1      PRO  57   5.226   4.669   4.669
  377   1HD   PRO  57           HD1      PRO  57   5.034   5.298   5.298
  378   2HD   PRO  57           HD2      PRO  57   6.147   5.988   5.988
  379    H    SER  58           HN       SER  58   7.754   0.483   0.483
  380    HA   SER  58           HA       SER  58   7.133   0.006   0.006
  381   1HB   SER  58           HB2      SER  58   8.857  -1.426  -1.426
  382   2HB   SER  58           HB1      SER  58   8.985  -1.062  -1.062
  383    HG   SER  58           HG       SER  58   8.448  -3.337  -3.337
  384    H    ASN  59           HN       ASN  59   6.020  -1.029  -1.029
  385    HA   ASN  59           HA       ASN  59   4.139  -2.980  -2.980
  386   1HB   ASN  59           HB2      ASN  59   4.619  -1.656  -1.656
  387   2HB   ASN  59           HB1      ASN  59   3.124  -2.556  -2.556
  388   1HD2  ASN  59          HD21      ASN  59   4.000  -4.687  -4.687
  389   2HD2  ASN  59          HD22      ASN  59   5.134  -5.617  -5.617
  390    H    TYR  60           HN       TYR  60   4.146   0.313   0.313
  391    HA   TYR  60           HA       TYR  60   1.179   0.515   0.515
  392   1HB   TYR  60           HB2      TYR  60   3.418   2.496   2.496
  393   2HB   TYR  60           HB1      TYR  60   1.852   3.042   3.042
  394    HD1  TYR  60           HD2      TYR  60   3.159   0.878   0.878
  395    HD2  TYR  60           HD1      TYR  60   0.387   3.887   3.887
  396    HE1  TYR  60           HE2      TYR  60   2.320   0.994   0.994
  397    HE2  TYR  60           HE1      TYR  60  -0.450   4.005   4.005
  398    HH   TYR  60           HH       TYR  60  -0.526   2.801   2.801
  399    H    VAL  61           HN       VAL  61   3.723   0.200   0.200
  400    HA   VAL  61           HA       VAL  61   1.820   0.978   0.978
  401    HB   VAL  61           HB       VAL  61   3.512   2.632   2.632
  402   1HG1  VAL  61          HG11      VAL  61   5.262   0.361   0.361
  403   2HG1  VAL  61          HG13      VAL  61   5.995   1.621   1.621
  404   3HG1  VAL  61          HG12      VAL  61   5.265   2.034   2.034
  405   1HG2  VAL  61          HG23      VAL  61   3.060   1.561   1.561
  406   2HG2  VAL  61          HG22      VAL  61   4.708   2.181   2.181
  407   3HG2  VAL  61          HG21      VAL  61   4.404   0.453   0.453
  408    H    ALA  62           HN       ALA  62   2.348  -0.149  -0.149
  409    HA   ALA  62           HA       ALA  62   3.703  -2.764  -2.764
  410   1HB   ALA  62           HB1      ALA  62   0.795  -2.336  -2.336
  411   2HB   ALA  62           HB3      ALA  62   1.522  -3.568  -3.568
  412   3HB   ALA  62           HB2      ALA  62   1.646  -3.702  -3.702
  413    HA   PRO  63           HA       PRO  63   5.231  -1.752  -1.752
  414   1HB   PRO  63           HB2      PRO  63   5.531  -4.522  -4.522
  415   2HB   PRO  63           HB1      PRO  63   6.783  -3.397  -3.397
  416   1HG   PRO  63           HG2      PRO  63   5.636  -5.598  -5.598
  417   2HG   PRO  63           HG1      PRO  63   6.876  -4.463  -4.463
  418   1HD   PRO  63           HD1      PRO  63   4.106  -4.600  -4.600
  419   2HD   PRO  63           HD2      PRO  63   5.358  -3.480  -3.480
  420    H    SER  64           HN       SER  64   3.122  -1.022  -1.022
  421    HA   SER  64           HA       SER  64   2.056  -2.818  -2.818
  422   1HB   SER  64           HB2      SER  64  -0.294  -2.552  -2.552
  423   2HB   SER  64           HB1      SER  64   0.697  -3.472  -3.472
  424    HG   SER  64           HG       SER  64   1.075  -1.283  -1.283
  425   1H    ARG  71           HT2      ARG  71  12.408  -0.355  -0.355
  426   2H    ARG  71           HT1      ARG  71  14.079  -0.091  -0.091
  427   3H    ARG  71           HT3      ARG  71  13.503  -1.326  -1.326
  428    HA   ARG  71           HA       ARG  71  14.018   0.318   0.318
  429   1HB   ARG  71           HB2      ARG  71  13.599   2.687   2.687
  430   2HB   ARG  71           HB1      ARG  71  14.487   2.018   2.018
  431   1HG   ARG  71           HG2      ARG  71  12.771   2.382   2.382
  432   2HG   ARG  71           HG1      ARG  71  11.577   1.777   1.777
  433   1HD   ARG  71           HD2      ARG  71  10.973   3.884   3.884
  434   2HD   ARG  71           HD1      ARG  71  12.628   4.258   4.258
  435    HE   ARG  71           HE       ARG  71  12.737   4.417   4.417
  436   1HH1  ARG  71          HH21      ARG  71  10.678   5.720   5.720
  437   2HH1  ARG  71          HH22      ARG  71  10.323   7.165   7.165
  438   1HH2  ARG  71          HH11      ARG  71  12.280   6.301   6.301
  439   2HH2  ARG  71          HH12      ARG  71  11.229   7.494   7.494
  440    H    ALA  72           HN       ALA  72  11.798  -1.435  -1.435
  441    HA   ALA  72           HA       ALA  72   9.731  -1.782  -1.782
  442   1HB   ALA  72           HB1      ALA  72  10.980   0.326   0.326
  443   2HB   ALA  72           HB3      ALA  72   9.297   0.797   0.797
  444   3HB   ALA  72           HB2      ALA  72   9.683  -0.733  -0.733
  445    H    LEU  73           HN       LEU  73   8.725  -1.739  -1.739
  446    HA   LEU  73           HA       LEU  73   7.823   0.656   0.656
  447   1HB   LEU  73           HB2      LEU  73   6.956  -2.231  -2.231
  448   2HB   LEU  73           HB1      LEU  73   6.107  -0.979  -0.979
  449    HG   LEU  73           HG       LEU  73   9.069  -1.618  -1.618
  450   1HD1  LEU  73          HD13      LEU  73   6.764  -1.991  -1.991
  451   2HD1  LEU  73          HD12      LEU  73   8.463  -2.224  -2.224
  452   3HD1  LEU  73          HD11      LEU  73   7.696  -3.268  -3.268
  453   1HD2  LEU  73          HD22      LEU  73   7.404   0.668   0.668
  454   2HD2  LEU  73          HD21      LEU  73   9.120   0.617   0.617
  455   3HD2  LEU  73          HD23      LEU  73   8.563   0.027   0.027
  456    HA   PRO  74           HA       PRO  74   4.348   1.927   1.927
  457   1HB   PRO  74           HB2      PRO  74   2.612   2.361   2.361
  458   2HB   PRO  74           HB1      PRO  74   3.627   3.555   3.555
  459   1HG   PRO  74           HG2      PRO  74   3.988   2.393   2.393
  460   2HG   PRO  74           HG1      PRO  74   4.955   3.650   3.650
  461   1HD   PRO  74           HD1      PRO  74   5.671   0.892   0.892
  462   2HD   PRO  74           HD2      PRO  74   6.634   2.149   2.149
  463    HA   PRO  75           HA       PRO  75   1.678  -1.506  -1.506
  464   1HB   PRO  75           HB2      PRO  75  -0.597   0.103   0.103
  465   2HB   PRO  75           HB1      PRO  75   0.509  -0.758  -0.758
  466   1HG   PRO  75           HG2      PRO  75   0.328   2.091   2.091
  467   2HG   PRO  75           HG1      PRO  75   1.430   1.230   1.230
  468   1HD   PRO  75           HD1      PRO  75   2.056   2.528   2.528
  469   2HD   PRO  75           HD2      PRO  75   3.162   1.665   1.665
  470    H    LEU  76           HN       LEU  76   0.140  -2.636  -2.636
  471    HA   LEU  76           HA       LEU  76  -0.709  -1.352  -1.352
  472   1HB   LEU  76           HB2      LEU  76  -1.001  -4.159  -4.159
  473   2HB   LEU  76           HB1      LEU  76  -1.675  -3.661  -3.661
  474    HG   LEU  76           HG       LEU  76   1.248  -3.351  -3.351
  475   1HD1  LEU  76          HD13      LEU  76  -0.189  -5.513  -5.513
  476   2HD1  LEU  76          HD12      LEU  76   1.558  -5.273  -5.273
  477   3HD1  LEU  76          HD11      LEU  76   0.769  -5.718  -5.718
  478   1HD2  LEU  76          HD22      LEU  76  -0.444  -2.501  -2.501
  479   2HD2  LEU  76          HD21      LEU  76   1.193  -1.997  -1.997
  480   3HD2  LEU  76          HD23      LEU  76   0.937  -3.458  -3.458
  481    HA   PRO  77           HA       PRO  77  -4.799  -0.266  -0.266
  482   1HB   PRO  77           HB2      PRO  77  -6.033  -1.523  -1.523
  483   2HB   PRO  77           HB1      PRO  77  -5.646   0.187   0.187
  484   1HG   PRO  77           HG2      PRO  77  -4.322  -1.711  -1.711
  485   2HG   PRO  77           HG1      PRO  77  -3.923  -0.006  -0.006
  486   1HD   PRO  77           HD1      PRO  77  -2.466  -2.315  -2.315
  487   2HD   PRO  77           HD2      PRO  77  -2.059  -0.602  -0.602
  488    H    ARG  78           HN       ARG  78  -6.719  -1.194  -1.194
  489    HA   ARG  78           HA       ARG  78  -7.449  -3.956  -3.956
  490   1HB   ARG  78           HB2      ARG  78  -5.217  -3.807  -3.807
  491   2HB   ARG  78           HB1      ARG  78  -6.412  -3.529  -3.529
  492   1HG   ARG  78           HG2      ARG  78  -6.010  -5.918  -5.918
  493   2HG   ARG  78           HG1      ARG  78  -7.624  -5.586  -5.586
  494   1HD   ARG  78           HD2      ARG  78  -5.644  -5.349  -5.349
  495   2HD   ARG  78           HD1      ARG  78  -5.539  -6.930  -6.930
  496    HE   ARG  78           HE       ARG  78  -7.725  -5.996  -5.996
  497   1HH1  ARG  78          HH21      ARG  78  -6.805  -7.976  -7.976
  498   2HH1  ARG  78          HH22      ARG  78  -8.126  -9.078  -9.078
  499   1HH2  ARG  78          HH11      ARG  78  -9.452  -7.425  -7.425
  500   2HH2  ARG  78          HH12      ARG  78  -9.622  -8.767  -8.767
  501    H    TYR  79           HN       TYR  79  -7.481  -1.073  -1.073
  502    HA   TYR  79           HA       TYR  79  -9.758  -1.643  -1.643
  503   1HB   TYR  79           HB2      TYR  79  -8.107   0.490   0.490
  504   2HB   TYR  79           HB1      TYR  79  -9.515   1.126   1.126
  505    HD1  TYR  79           HD2      TYR  79 -11.808   0.098   0.098
  506    HD2  TYR  79           HD1      TYR  79  -8.094   1.224   1.224
  507    HE1  TYR  79           HE2      TYR  79 -12.930   0.484   0.484
  508    HE2  TYR  79           HE1      TYR  79  -9.216   1.609   1.609
  509    HH   TYR  79           HH       TYR  79 -11.107   1.344   1.344

  Start of MODEL    4
    1   1H    THR   9           HT2      THR   9   5.916   1.656   1.656
    2   2H    THR   9           HT1      THR   9   6.072   2.820   2.820
    3   3H    THR   9           HT3      THR   9   6.490   3.211   3.211
    4    HA   THR   9           HA       THR   9   4.430   4.189   4.189
    5    HB   THR   9           HB       THR   9   3.529   1.710   1.710
    6    HG1  THR   9           HG1      THR   9   3.743   2.938   2.938
    7   1HG2  THR   9          HG22      THR   9   2.169   4.094   4.094
    8   2HG2  THR   9          HG21      THR   9   1.755   3.700   3.700
    9   3HG2  THR   9          HG23      THR   9   1.514   2.505   2.505
   10    H    PHE  10           HN       PHE  10   5.092   3.438   3.438
   11    HA   PHE  10           HA       PHE  10   3.741   1.048   1.048
   12   1HB   PHE  10           HB2      PHE  10   5.400   3.249   3.249
   13   2HB   PHE  10           HB1      PHE  10   4.471   2.172   2.172
   14    HD1  PHE  10           HD1      PHE  10   6.229   1.457   1.457
   15    HD2  PHE  10           HD2      PHE  10   6.064   0.709   0.709
   16    HE1  PHE  10           HE1      PHE  10   7.957  -0.273  -0.273
   17    HE2  PHE  10           HE2      PHE  10   7.785  -1.025  -1.025
   18    HZ   PHE  10           HZ       PHE  10   8.736  -1.516  -1.516
   19    H    VAL  11           HN       VAL  11   2.028   1.130   1.130
   20    HA   VAL  11           HA       VAL  11   0.430   3.659   3.659
   21    HB   VAL  11           HB       VAL  11  -0.897   0.982   0.982
   22   1HG1  VAL  11          HG12      VAL  11  -2.035   3.268   3.268
   23   2HG1  VAL  11          HG11      VAL  11  -1.771   3.462   3.462
   24   3HG1  VAL  11          HG13      VAL  11  -2.778   2.143   2.143
   25   1HG2  VAL  11          HG23      VAL  11  -0.038   2.245   2.245
   26   2HG2  VAL  11          HG22      VAL  11   0.586   0.737   0.737
   27   3HG2  VAL  11          HG21      VAL  11  -1.099   0.845   0.845
   28    H    ALA  12           HN       ALA  12  -0.398   4.349   4.349
   29    HA   ALA  12           HA       ALA  12   0.729   3.221   3.221
   30   1HB   ALA  12           HB1      ALA  12  -0.979   5.514   5.514
   31   2HB   ALA  12           HB3      ALA  12  -1.311   4.839   4.839
   32   3HB   ALA  12           HB2      ALA  12   0.312   5.404   5.404
   33    H    LEU  13           HN       LEU  13   0.034   1.204   1.204
   34    HA   LEU  13           HA       LEU  13  -2.680   0.278   0.278
   35   1HB   LEU  13           HB2      LEU  13  -0.290  -0.805  -0.805
   36   2HB   LEU  13           HB1      LEU  13  -1.864  -1.589  -1.589
   37    HG   LEU  13           HG       LEU  13  -0.536  -0.962  -0.962
   38   1HD1  LEU  13          HD13      LEU  13   0.820  -2.564  -2.564
   39   2HD1  LEU  13          HD12      LEU  13  -0.604  -3.585  -3.585
   40   3HD1  LEU  13          HD11      LEU  13   0.091  -3.332  -3.332
   41   1HD2  LEU  13          HD22      LEU  13  -2.980  -2.482  -2.482
   42   2HD2  LEU  13          HD21      LEU  13  -2.842  -1.255  -1.255
   43   3HD2  LEU  13          HD23      LEU  13  -2.190  -2.871  -2.871
   44    H    TYR  14           HN       TYR  14  -0.858   1.361   1.361
   45    HA   TYR  14           HA       TYR  14  -3.497   1.683   1.683
   46   1HB   TYR  14           HB2      TYR  14  -0.848   0.786   0.786
   47   2HB   TYR  14           HB1      TYR  14  -2.225   1.272   1.272
   48    HD1  TYR  14           HD2      TYR  14  -1.664  -0.854  -0.854
   49    HD2  TYR  14           HD1      TYR  14  -3.543  -0.504  -0.504
   50    HE1  TYR  14           HE2      TYR  14  -2.674  -3.062  -3.062
   51    HE2  TYR  14           HE1      TYR  14  -4.544  -2.725  -2.725
   52    HH   TYR  14           HH       TYR  14  -4.418  -4.657  -4.657
   53    H    ASP  15           HN       ASP  15  -3.775   3.612   3.612
   54    HA   ASP  15           HA       ASP  15  -2.345   5.910   5.910
   55   1HB   ASP  15           HB2      ASP  15  -3.456   6.948   6.948
   56   2HB   ASP  15           HB1      ASP  15  -4.517   6.293   6.293
   57    H    TYR  16           HN       TYR  16  -0.347   6.603   6.603
   58    HA   TYR  16           HA       TYR  16   0.957   5.351   5.351
   59   1HB   TYR  16           HB2      TYR  16   2.268   5.465   5.465
   60   2HB   TYR  16           HB1      TYR  16   2.004   7.204   7.204
   61    HD1  TYR  16           HD1      TYR  16   2.517   5.643   5.643
   62    HD2  TYR  16           HD2      TYR  16   4.450   7.635   7.635
   63    HE1  TYR  16           HE1      TYR  16   4.482   6.025   6.025
   64    HE2  TYR  16           HE2      TYR  16   6.416   8.018   8.018
   65    HH   TYR  16           HH       TYR  16   6.378   7.559   7.559
   66    H    GLU  17           HN       GLU  17   0.788   6.344   6.344
   67    HA   GLU  17           HA       GLU  17   0.362   9.300   9.300
   68   1HB   GLU  17           HB2      GLU  17  -0.425   8.853   8.853
   69   2HB   GLU  17           HB1      GLU  17  -1.439   8.158   8.158
   70   1HG   GLU  17           HG2      GLU  17  -1.041   6.063   6.063
   71   2HG   GLU  17           HG1      GLU  17   0.701   6.337   6.337
   72    H    SER  18           HN       SER  18   2.900   8.981   8.981
   73    HA   SER  18           HA       SER  18   4.747   8.167   8.167
   74   1HB   SER  18           HB2      SER  18   5.172   9.357   9.357
   75   2HB   SER  18           HB1      SER  18   4.980  10.866  10.866
   76    HG   SER  18           HG       SER  18   6.763  10.455  10.455
   77    H    ARG  19           HN       ARG  19   5.929   9.455   9.455
   78    HA   ARG  19           HA       ARG  19   4.110  11.397  11.397
   79   1HB   ARG  19           HB2      ARG  19   5.563   9.003   9.003
   80   2HB   ARG  19           HB1      ARG  19   5.455  10.413  10.413
   81   1HG   ARG  19           HG2      ARG  19   3.437   9.514   9.514
   82   2HG   ARG  19           HG1      ARG  19   2.892  10.271  10.271
   83   1HD   ARG  19           HD2      ARG  19   2.164   8.005   8.005
   84   2HD   ARG  19           HD1      ARG  19   3.592   8.098   8.098
   85    HE   ARG  19           HE       ARG  19   4.645   6.595   6.595
   86   1HH1  ARG  19          HH21      ARG  19   2.031   8.248   8.248
   87   2HH1  ARG  19          HH22      ARG  19   2.160   7.348   7.348
   88   1HH2  ARG  19          HH11      ARG  19   4.822   5.416   5.416
   89   2HH2  ARG  19          HH12      ARG  19   3.738   5.750   5.750
   90    H    THR  20           HN       THR  20   6.204  12.076  12.076
   91    HA   THR  20           HA       THR  20   7.872  13.711  13.711
   92    HB   THR  20           HB       THR  20   9.391  12.509  12.509
   93    HG1  THR  20           HG1      THR  20   8.210  10.718  10.718
   94   1HG2  THR  20          HG21      THR  20  10.129  14.056  14.056
   95   2HG2  THR  20          HG23      THR  20  10.141  12.558  12.558
   96   3HG2  THR  20          HG22      THR  20  11.177  12.723  12.723
   97    H    GLU  21           HN       GLU  21   9.115  15.382  15.382
   98    HA   GLU  21           HA       GLU  21   7.306  16.407  16.407
   99   1HB   GLU  21           HB2      GLU  21   9.099  17.559  17.559
  100   2HB   GLU  21           HB1      GLU  21   9.536  18.125  18.125
  101   1HG   GLU  21           HG2      GLU  21   6.742  18.215  18.215
  102   2HG   GLU  21           HG1      GLU  21   7.211  18.799  18.799
  103    H    THR  22           HN       THR  22   9.480  14.137  14.137
  104    HA   THR  22           HA       THR  22  11.003  15.266  15.266
  105    HB   THR  22           HB       THR  22  11.538  12.491  12.491
  106    HG1  THR  22           HG1      THR  22  11.176  13.438  13.438
  107   1HG2  THR  22          HG22      THR  22  12.856  13.881  13.881
  108   2HG2  THR  22          HG21      THR  22  13.389  14.862  14.862
  109   3HG2  THR  22          HG23      THR  22  13.806  13.149  13.149
  110    H    ASP  23           HN       ASP  23   9.562  12.070  12.070
  111    HA   ASP  23           HA       ASP  23   9.083  11.532  11.532
  112   1HB   ASP  23           HB2      ASP  23   7.620  10.033  10.033
  113   2HB   ASP  23           HB1      ASP  23   8.411   9.424   9.424
  114    H    LEU  24           HN       LEU  24   7.166  11.772  11.772
  115    HA   LEU  24           HA       LEU  24   5.106  13.466  13.466
  116   1HB   LEU  24           HB2      LEU  24   5.085  12.454  12.454
  117   2HB   LEU  24           HB1      LEU  24   4.318  13.904  13.904
  118    HG   LEU  24           HG       LEU  24   7.309  13.560  13.560
  119   1HD1  LEU  24          HD12      LEU  24   5.644  14.569  14.569
  120   2HD1  LEU  24          HD11      LEU  24   7.361  14.917  14.917
  121   3HD1  LEU  24          HD13      LEU  24   6.818  13.252  13.252
  122   1HD2  LEU  24          HD23      LEU  24   5.295  15.742  15.742
  123   2HD2  LEU  24          HD22      LEU  24   6.768  15.435  15.435
  124   3HD2  LEU  24          HD21      LEU  24   6.864  16.175  16.175
  125    H    SER  25           HN       SER  25   3.004  12.789  12.789
  126    HA   SER  25           HA       SER  25   2.560   9.865   9.865
  127   1HB   SER  25           HB2      SER  25   0.286  11.283  11.283
  128   2HB   SER  25           HB1      SER  25   1.435  10.299  10.299
  129    HG   SER  25           HG       SER  25   2.391  12.036  12.036
  130    H    PHE  26           HN       PHE  26   1.021   8.893   8.893
  131    HA   PHE  26           HA       PHE  26  -0.532  10.741  10.741
  132   1HB   PHE  26           HB2      PHE  26  -0.224   9.047   9.047
  133   2HB   PHE  26           HB1      PHE  26   1.271   9.844   9.844
  134    HD1  PHE  26           HD2      PHE  26  -0.656   6.706   6.706
  135    HD2  PHE  26           HD1      PHE  26   3.007   8.605   8.605
  136    HE1  PHE  26           HE2      PHE  26   0.343   4.513   4.513
  137    HE2  PHE  26           HE1      PHE  26   4.003   6.410   6.410
  138    HZ   PHE  26           HZ       PHE  26   2.671   4.365   4.365
  139    H    LYS  27           HN       LYS  27  -2.187   9.148   9.148
  140    HA   LYS  27           HA       LYS  27  -3.456   7.396   7.396
  141   1HB   LYS  27           HB2      LYS  27  -5.015   9.117   9.117
  142   2HB   LYS  27           HB1      LYS  27  -5.612   8.278   8.278
  143   1HG   LYS  27           HG2      LYS  27  -4.988   9.966   9.966
  144   2HG   LYS  27           HG1      LYS  27  -3.418  10.135  10.135
  145   1HD   LYS  27           HD2      LYS  27  -4.158  11.981  11.981
  146   2HD   LYS  27           HD1      LYS  27  -5.401  11.016  11.016
  147   1HE   LYS  27           HE2      LYS  27  -5.996  11.635  11.635
  148   2HE   LYS  27           HE1      LYS  27  -5.901  13.057  13.057
  149   1HZ   LYS  27           HZ3      LYS  27  -7.311  11.406  11.406
  150   2HZ   LYS  27           HZ2      LYS  27  -7.820  10.883  10.883
  151   3HZ   LYS  27           HZ1      LYS  27  -8.017  12.509  12.509
  152    H    LYS  28           HN       LYS  28  -5.507   6.351   6.351
  153    HA   LYS  28           HA       LYS  28  -4.086   4.670   4.670
  154   1HB   LYS  28           HB2      LYS  28  -5.606   3.517   3.517
  155   2HB   LYS  28           HB1      LYS  28  -6.907   4.652   4.652
  156   1HG   LYS  28           HG2      LYS  28  -7.206   3.807   3.807
  157   2HG   LYS  28           HG1      LYS  28  -5.624   3.026   3.026
  158   1HD   LYS  28           HD2      LYS  28  -6.928   1.175   1.175
  159   2HD   LYS  28           HD1      LYS  28  -6.690   1.734   1.734
  160   1HE   LYS  28           HE2      LYS  28  -8.837   3.222   3.222
  161   2HE   LYS  28           HE1      LYS  28  -9.125   1.862   1.862
  162   1HZ   LYS  28           HZ1      LYS  28  -8.611   0.464   0.464
  163   2HZ   LYS  28           HZ3      LYS  28  -8.966   1.890   1.890
  164   3HZ   LYS  28           HZ2      LYS  28 -10.141   1.186   1.186
  165    H    GLY  29           HN       GLY  29  -4.585   4.557   4.557
  166   1HA   GLY  29           HA2      GLY  29  -5.783   5.193   5.193
  167   2HA   GLY  29           HA1      GLY  29  -6.571   6.478   6.478
  168    H    GLU  30           HN       GLU  30  -3.592   6.897   6.897
  169    HA   GLU  30           HA       GLU  30  -3.004   8.951   8.951
  170   1HB   GLU  30           HB2      GLU  30  -2.888   9.311   9.311
  171   2HB   GLU  30           HB1      GLU  30  -1.385   8.389   8.389
  172   1HG   GLU  30           HG2      GLU  30  -1.390  10.357  10.357
  173   2HG   GLU  30           HG1      GLU  30  -1.747  11.145  11.145
  174    H    ARG  31           HN       ARG  31  -1.456   8.685   8.685
  175    HA   ARG  31           HA       ARG  31   0.071   6.164   6.164
  176   1HB   ARG  31           HB2      ARG  31  -0.797   8.150   8.150
  177   2HB   ARG  31           HB1      ARG  31   0.890   7.687   7.687
  178   1HG   ARG  31           HG2      ARG  31  -0.096   5.980   5.980
  179   2HG   ARG  31           HG1      ARG  31  -0.144   5.245   5.245
  180   1HD   ARG  31           HD2      ARG  31  -2.436   6.145   6.145
  181   2HD   ARG  31           HD1      ARG  31  -2.385   6.818   6.818
  182    HE   ARG  31           HE       ARG  31  -1.817   4.134   4.134
  183   1HH1  ARG  31          HH21      ARG  31  -4.288   5.969   5.969
  184   2HH1  ARG  31          HH22      ARG  31  -5.521   4.785   4.785
  185   1HH2  ARG  31          HH11      ARG  31  -3.417   2.586   2.586
  186   2HH2  ARG  31          HH12      ARG  31  -5.030   2.872   2.872
  187    H    LEU  32           HN       LEU  32   2.359   6.067   6.067
  188    HA   LEU  32           HA       LEU  32   3.782   8.619   8.619
  189   1HB   LEU  32           HB2      LEU  32   4.048   6.044   6.044
  190   2HB   LEU  32           HB1      LEU  32   5.003   7.507   7.507
  191    HG   LEU  32           HG       LEU  32   2.387   8.437   8.437
  192   1HD1  LEU  32          HD11      LEU  32   1.701   5.995   5.995
  193   2HD1  LEU  32          HD13      LEU  32   2.516   5.907   5.907
  194   3HD1  LEU  32          HD12      LEU  32   1.133   6.980   6.980
  195   1HD2  LEU  32          HD23      LEU  32   4.583   8.643   8.643
  196   2HD2  LEU  32          HD22      LEU  32   2.992   9.173   9.173
  197   3HD2  LEU  32          HD21      LEU  32   3.611   7.596   7.596
  198    H    GLN  33           HN       GLN  33   5.759   8.748   8.748
  199    HA   GLN  33           HA       GLN  33   6.535   6.477   6.477
  200   1HB   GLN  33           HB2      GLN  33   6.579   9.191   9.191
  201   2HB   GLN  33           HB1      GLN  33   8.258   8.873   8.873
  202   1HG   GLN  33           HG2      GLN  33   7.495   6.796   6.796
  203   2HG   GLN  33           HG1      GLN  33   6.897   8.293   8.293
  204   1HE2  GLN  33          HE22      GLN  33  10.329   9.711   9.711
  205   2HE2  GLN  33          HE21      GLN  33   8.809  10.163  10.163
  206    H    ILE  34           HN       ILE  34   7.698   4.937   4.937
  207    HA   ILE  34           HA       ILE  34   9.286   5.395   5.395
  208    HB   ILE  34           HB       ILE  34   9.449   3.202   3.202
  209   1HG1  ILE  34          HG12      ILE  34   7.318   3.175   3.175
  210   2HG1  ILE  34          HG11      ILE  34   8.293   1.927   1.927
  211   1HG2  ILE  34          HG23      ILE  34  11.333   3.851   3.851
  212   2HG2  ILE  34          HG22      ILE  34  10.384   2.539   2.539
  213   3HG2  ILE  34          HG21      ILE  34  11.195   2.313   2.313
  214   1HD1  ILE  34          HD11      ILE  34   8.950   4.078   4.078
  215   2HD1  ILE  34          HD13      ILE  34   7.293   4.494   4.494
  216   3HD1  ILE  34          HD12      ILE  34   7.631   2.975   2.975
  217    H    VAL  35           HN       VAL  35  11.472   5.864   5.864
  218    HA   VAL  35           HA       VAL  35  12.841   6.896   6.896
  219    HB   VAL  35           HB       VAL  35  13.411   7.216   7.216
  220   1HG1  VAL  35          HG13      VAL  35  14.938   8.101   8.101
  221   2HG1  VAL  35          HG12      VAL  35  15.098   8.936   8.936
  222   3HG1  VAL  35          HG11      VAL  35  15.548   7.237   7.237
  223   1HG2  VAL  35          HG23      VAL  35  11.495   8.506   8.506
  224   2HG2  VAL  35          HG22      VAL  35  12.833   9.570   9.570
  225   3HG2  VAL  35          HG21      VAL  35  12.535   9.178   9.178
  226    H    ASN  36           HN       ASN  36  13.776   5.044   5.044
  227    HA   ASN  36           HA       ASN  36  15.027   2.953   2.953
  228   1HB   ASN  36           HB2      ASN  36  16.582   5.201   5.201
  229   2HB   ASN  36           HB1      ASN  36  17.111   4.287   4.287
  230   1HD2  ASN  36          HD22      ASN  36  19.294   2.679   2.679
  231   2HD2  ASN  36          HD21      ASN  36  19.199   3.830   3.830
  232    H    ASN  37           HN       ASN  37  17.054   2.498   2.498
  233    HA   ASN  37           HA       ASN  37  17.162   1.560   1.560
  234   1HB   ASN  37           HB2      ASN  37  14.301   2.415   2.415
  235   2HB   ASN  37           HB1      ASN  37  15.566   2.180   2.180
  236   1HD2  ASN  37          HD22      ASN  37  17.108   5.361   5.361
  237   2HD2  ASN  37          HD21      ASN  37  17.420   3.791   3.791
  238    H    THR  38           HN       THR  38  17.183  -0.627  -0.627
  239    HA   THR  38           HA       THR  38  14.582  -1.995  -1.995
  240    HB   THR  38           HB       THR  38  15.852  -2.378  -2.378
  241    HG1  THR  38           HG1      THR  38  15.159  -4.336  -4.336
  242   1HG2  THR  38          HG22      THR  38  17.969  -1.442  -1.442
  243   2HG2  THR  38          HG21      THR  38  18.257  -3.038  -3.038
  244   3HG2  THR  38          HG23      THR  38  18.214  -2.832  -2.832
  245    H    GLU  39           HN       GLU  39  17.584  -1.938  -1.938
  246    HA   GLU  39           HA       GLU  39  16.961  -4.452  -4.452
  247   1HB   GLU  39           HB2      GLU  39  19.220  -2.526  -2.526
  248   2HB   GLU  39           HB1      GLU  39  18.970  -3.384  -3.384
  249   1HG   GLU  39           HG2      GLU  39  19.318  -5.486  -5.486
  250   2HG   GLU  39           HG1      GLU  39  18.963  -4.891  -4.891
  251    H    GLY  40           HN       GLY  40  17.166  -0.999  -0.999
  252   1HA   GLY  40           HA2      GLY  40  16.253  -1.334  -1.334
  253   2HA   GLY  40           HA1      GLY  40  16.219   0.181   0.181
  254    H    ASP  41           HN       ASP  41  14.159  -1.196  -1.196
  255    HA   ASP  41           HA       ASP  41  11.997  -1.985  -1.985
  256   1HB   ASP  41           HB2      ASP  41  11.869  -1.126  -1.126
  257   2HB   ASP  41           HB1      ASP  41  10.626  -2.011  -2.011
  258    H    TRP  42           HN       TRP  42  13.294   1.013   1.013
  259    HA   TRP  42           HA       TRP  42  10.748   2.425   2.425
  260   1HB   TRP  42           HB2      TRP  42  13.255   3.273   3.273
  261   2HB   TRP  42           HB1      TRP  42  12.045   4.436   4.436
  262    HD1  TRP  42           HD1      TRP  42  12.579   1.611   1.611
  263    HE1  TRP  42           HE1      TRP  42  10.619   1.743   1.743
  264    HE3  TRP  42           HE3      TRP  42   9.859   4.981   4.981
  265    HZ2  TRP  42           HZ2      TRP  42   8.063   3.203   3.203
  266    HZ3  TRP  42           HZ3      TRP  42   7.687   5.771   5.771
  267    HH2  TRP  42           HH2      TRP  42   6.789   4.876   4.876
  268    H    TRP  43           HN       TRP  43  10.596   3.157   3.157
  269    HA   TRP  43           HA       TRP  43  13.135   3.741   3.741
  270   1HB   TRP  43           HB2      TRP  43  10.388   3.212   3.212
  271   2HB   TRP  43           HB1      TRP  43  11.906   3.336   3.336
  272    HD1  TRP  43           HD1      TRP  43  13.690   1.513   1.513
  273    HE1  TRP  43           HE1      TRP  43  13.243  -0.972  -0.972
  274    HE3  TRP  43           HE3      TRP  43   9.166   1.631   1.631
  275    HZ2  TRP  43           HZ2      TRP  43  11.066  -2.785  -2.785
  276    HZ3  TRP  43           HZ3      TRP  43   7.861  -0.405  -0.405
  277    HH2  TRP  43           HH2      TRP  43   8.814  -2.614  -2.614
  278    H    LEU  44           HN       LEU  44  12.955   5.582   5.582
  279    HA   LEU  44           HA       LEU  44  11.311   7.769   7.769
  280   1HB   LEU  44           HB2      LEU  44  13.838   8.004   8.004
  281   2HB   LEU  44           HB1      LEU  44  13.738   8.049   8.049
  282    HG   LEU  44           HG       LEU  44  12.080   9.907   9.907
  283   1HD1  LEU  44          HD12      LEU  44  14.942  10.241  10.241
  284   2HD1  LEU  44          HD11      LEU  44  13.919  11.598  11.598
  285   3HD1  LEU  44          HD13      LEU  44  14.330  10.356  10.356
  286   1HD2  LEU  44          HD22      LEU  44  12.467   9.401   9.401
  287   2HD2  LEU  44          HD21      LEU  44  11.354  10.532  10.532
  288   3HD2  LEU  44          HD23      LEU  44  12.996  11.042  11.042
  289    H    ALA  45           HN       ALA  45   9.654   8.539   8.539
  290    HA   ALA  45           HA       ALA  45   9.851   8.154   8.154
  291   1HB   ALA  45           HB3      ALA  45   7.878   7.044   7.044
  292   2HB   ALA  45           HB2      ALA  45   7.136   7.973   7.973
  293   3HB   ALA  45           HB1      ALA  45   8.200   6.618   6.618
  294    H    HIS  46           HN       HIS  46   8.188   9.562   9.562
  295    HA   HIS  46           HA       HIS  46   7.834  12.136  12.136
  296   1HB   HIS  46           HB2      HIS  46   9.425  12.741  12.741
  297   2HB   HIS  46           HB1      HIS  46   8.876  11.540  11.540
  298    HD1  HIS  46           HD1      HIS  46   8.515  15.026  15.026
  299    HD2  HIS  46           HD2      HIS  46   6.303  12.268  12.268
  300    HE1  HIS  46           HE1      HIS  46   6.944  16.313  16.313
  301    H    SER  47           HN       SER  47   5.696  12.550  12.550
  302    HA   SER  47           HA       SER  47   3.587  11.062  11.062
  303   1HB   SER  47           HB2      SER  47   3.378  13.922  13.922
  304   2HB   SER  47           HB1      SER  47   2.098  12.709  12.709
  305    HG   SER  47           HG       SER  47   3.992  13.146  13.146
  306    H    LEU  48           HN       LEU  48   2.470  11.290  11.290
  307    HA   LEU  48           HA       LEU  48   3.542  13.249  13.249
  308   1HB   LEU  48           HB2      LEU  48   1.596  10.945  10.945
  309   2HB   LEU  48           HB1      LEU  48   2.105  11.988  11.988
  310    HG   LEU  48           HG       LEU  48   3.993  10.372  10.372
  311   1HD1  LEU  48          HD11      LEU  48   2.387   9.668   9.668
  312   2HD1  LEU  48          HD13      LEU  48   4.112   9.459   9.459
  313   3HD1  LEU  48          HD12      LEU  48   3.349   8.626   8.626
  314   1HD2  LEU  48          HD21      LEU  48   4.389  12.021  12.021
  315   2HD2  LEU  48          HD23      LEU  48   5.040  12.372  12.372
  316   3HD2  LEU  48          HD22      LEU  48   5.617  10.968  10.968
  317    H    THR  49           HN       THR  49   1.205  13.335  13.335
  318    HA   THR  49           HA       THR  49  -0.726  14.872  14.872
  319    HB   THR  49           HB       THR  49  -0.889  13.727  13.727
  320    HG1  THR  49           HG1      THR  49  -1.330  12.644  12.644
  321   1HG2  THR  49          HG22      THR  49  -1.967  15.957  15.957
  322   2HG2  THR  49          HG21      THR  49  -2.924  15.432  15.432
  323   3HG2  THR  49          HG23      THR  49  -3.154  14.664  14.664
  324    H    THR  50           HN       THR  50   0.947  15.168  15.168
  325    HA   THR  50           HA       THR  50   0.513  18.080  18.080
  326    HB   THR  50           HB       THR  50   2.367  17.094  17.094
  327    HG1  THR  50           HG1      THR  50   1.413  15.257  15.257
  328   1HG2  THR  50          HG23      THR  50   0.483  19.079  19.079
  329   2HG2  THR  50          HG22      THR  50  -0.342  17.928  17.928
  330   3HG2  THR  50          HG21      THR  50   1.220  18.592  18.592
  331    H    GLY  51           HN       GLY  51   3.439  16.048  16.048
  332   1HA   GLY  51           HA2      GLY  51   5.296  16.368  16.368
  333   2HA   GLY  51           HA1      GLY  51   4.905  18.088  18.088
  334    H    GLN  52           HN       GLN  52   5.850  15.459  15.459
  335    HA   GLN  52           HA       GLN  52   7.873  17.242  17.242
  336   1HB   GLN  52           HB2      GLN  52   5.352  16.437  16.437
  337   2HB   GLN  52           HB1      GLN  52   6.835  16.407  16.407
  338   1HG   GLN  52           HG2      GLN  52   6.709  18.814  18.814
  339   2HG   GLN  52           HG1      GLN  52   5.267  18.663  18.663
  340   1HE2  GLN  52          HE22      GLN  52   8.931  19.129  19.129
  341   2HE2  GLN  52          HE21      GLN  52   8.852  18.642  18.642
  342    H    THR  53           HN       THR  53   9.180  15.974  15.974
  343    HA   THR  53           HA       THR  53   9.408  13.154  13.154
  344    HB   THR  53           HB       THR  53  11.359  15.096  15.096
  345    HG1  THR  53           HG1      THR  53  11.201  13.553  13.553
  346   1HG2  THR  53          HG22      THR  53  11.685  12.098  12.098
  347   2HG2  THR  53          HG21      THR  53  12.991  13.219  13.219
  348   3HG2  THR  53          HG23      THR  53  11.658  12.994  12.994
  349    H    GLY  54           HN       GLY  54   9.132  11.474  11.474
  350   1HA   GLY  54           HA2      GLY  54   9.202  11.949  11.949
  351   2HA   GLY  54           HA1      GLY  54   7.607  11.556  11.556
  352    H    TYR  55           HN       TYR  55  10.000  10.124  10.124
  353    HA   TYR  55           HA       TYR  55  10.535   7.769   7.769
  354   1HB   TYR  55           HB2      TYR  55  10.624   7.724   7.724
  355   2HB   TYR  55           HB1      TYR  55  11.742   7.016   7.016
  356    HD1  TYR  55           HD2      TYR  55  12.007   9.518   9.518
  357    HD2  TYR  55           HD1      TYR  55  12.251   8.977   8.977
  358    HE1  TYR  55           HE2      TYR  55  13.443  11.497  11.497
  359    HE2  TYR  55           HE1      TYR  55  13.686  10.957  10.957
  360    HH   TYR  55           HH       TYR  55  14.779  12.694  12.694
  361    H    ILE  56           HN       ILE  56   8.676   6.698   6.698
  362    HA   ILE  56           HA       ILE  56   6.467   6.267   6.267
  363    HB   ILE  56           HB       ILE  56   5.457   5.008   5.008
  364   1HG1  ILE  56          HG12      ILE  56   7.133   5.791   5.791
  365   2HG1  ILE  56          HG11      ILE  56   8.218   5.124   5.124
  366   1HG2  ILE  56          HG23      ILE  56   5.533   7.634   7.634
  367   2HG2  ILE  56          HG22      ILE  56   6.516   7.584   7.584
  368   3HG2  ILE  56          HG21      ILE  56   4.870   6.952   6.952
  369   1HD1  ILE  56          HD13      ILE  56   5.796   3.526   3.526
  370   2HD1  ILE  56          HD12      ILE  56   6.692   3.656   3.656
  371   3HD1  ILE  56          HD11      ILE  56   7.484   3.020   3.020
  372    HA   PRO  57           HA       PRO  57   8.064   2.485   2.485
  373   1HB   PRO  57           HB2      PRO  57   5.464   1.464   1.464
  374   2HB   PRO  57           HB1      PRO  57   6.577   2.279   2.279
  375   1HG   PRO  57           HG2      PRO  57   4.111   3.308   3.308
  376   2HG   PRO  57           HG1      PRO  57   5.169   4.077   4.077
  377   1HD   PRO  57           HD1      PRO  57   4.863   4.759   4.759
  378   2HD   PRO  57           HD2      PRO  57   5.963   5.497   5.497
  379    H    SER  58           HN       SER  58   7.608   0.032   0.032
  380    HA   SER  58           HA       SER  58   7.092  -0.377  -0.377
  381   1HB   SER  58           HB2      SER  58   7.724  -2.844  -2.844
  382   2HB   SER  58           HB1      SER  58   8.936  -1.647  -1.647
  383    HG   SER  58           HG       SER  58   9.322  -2.485  -2.485
  384    H    ASN  59           HN       ASN  59   5.800  -1.487  -1.487
  385    HA   ASN  59           HA       ASN  59   3.853  -3.270  -3.270
  386   1HB   ASN  59           HB2      ASN  59   4.417  -2.151  -2.151
  387   2HB   ASN  59           HB1      ASN  59   2.758  -2.676  -2.676
  388   1HD2  ASN  59          HD22      ASN  59   3.580  -6.123  -6.123
  389   2HD2  ASN  59          HD21      ASN  59   2.369  -4.957  -4.957
  390    H    TYR  60           HN       TYR  60   4.025   0.060   0.060
  391    HA   TYR  60           HA       TYR  60   1.052   0.331   0.331
  392   1HB   TYR  60           HB2      TYR  60   3.295   2.293   2.293
  393   2HB   TYR  60           HB1      TYR  60   1.707   2.856   2.856
  394    HD1  TYR  60           HD2      TYR  60   1.392  -0.124  -0.124
  395    HD2  TYR  60           HD1      TYR  60   1.964   4.062   4.062
  396    HE1  TYR  60           HE2      TYR  60   0.555  -0.255  -0.255
  397    HE2  TYR  60           HE1      TYR  60   1.128   3.936   3.936
  398    HH   TYR  60           HH       TYR  60  -0.067   2.610   2.610
  399    H    VAL  61           HN       VAL  61   3.329  -0.453  -0.453
  400    HA   VAL  61           HA       VAL  61   1.772   0.726   0.726
  401    HB   VAL  61           HB       VAL  61   3.377   2.466   2.466
  402   1HG1  VAL  61          HG13      VAL  61   5.151   0.204   0.204
  403   2HG1  VAL  61          HG12      VAL  61   5.915   1.502   1.502
  404   3HG1  VAL  61          HG11      VAL  61   5.127   1.853   1.853
  405   1HG2  VAL  61          HG22      VAL  61   3.073   1.596   1.596
  406   2HG2  VAL  61          HG21      VAL  61   4.666   2.309   2.309
  407   3HG2  VAL  61          HG23      VAL  61   4.476   0.555   0.555
  408    H    ALA  62           HN       ALA  62   2.501  -0.183  -0.183
  409    HA   ALA  62           HA       ALA  62   4.243  -2.487  -2.487
  410   1HB   ALA  62           HB1      ALA  62   2.066  -3.257  -3.257
  411   2HB   ALA  62           HB3      ALA  62   1.340  -3.192  -3.192
  412   3HB   ALA  62           HB2      ALA  62   2.706  -4.265  -4.265
  413    HA   PRO  63           HA       PRO  63   4.145  -1.305  -1.305
  414   1HB   PRO  63           HB2      PRO  63   4.807  -3.955  -3.955
  415   2HB   PRO  63           HB1      PRO  63   5.882  -2.562  -2.562
  416   1HG   PRO  63           HG2      PRO  63   5.790  -4.921  -4.921
  417   2HG   PRO  63           HG1      PRO  63   6.848  -3.518  -3.518
  418   1HD   PRO  63           HD1      PRO  63   4.585  -4.261  -4.261
  419   2HD   PRO  63           HD2      PRO  63   5.670  -2.872  -2.872
  420    H    SER  64           HN       SER  64   2.729  -1.508  -1.508
  421    HA   SER  64           HA       SER  64   0.827  -3.764  -3.764
  422   1HB   SER  64           HB2      SER  64   0.021  -1.706  -1.706
  423   2HB   SER  64           HB1      SER  64  -0.417  -1.048  -1.048
  424    HG   SER  64           HG       SER  64  -1.282  -3.406  -3.406
  425   1H    ARG  71           HT1      ARG  71  13.404   1.944   1.944
  426   2H    ARG  71           HT3      ARG  71  14.420   2.631   2.631
  427   3H    ARG  71           HT2      ARG  71  13.998   3.521   3.521
  428    HA   ARG  71           HA       ARG  71  12.197   4.318   4.318
  429   1HB   ARG  71           HB2      ARG  71  13.826   3.903   3.903
  430   2HB   ARG  71           HB1      ARG  71  12.695   2.618   2.618
  431   1HG   ARG  71           HG2      ARG  71  11.721   4.382   4.382
  432   2HG   ARG  71           HG1      ARG  71  10.905   4.547   4.547
  433   1HD   ARG  71           HD2      ARG  71  12.993   6.046   6.046
  434   2HD   ARG  71           HD1      ARG  71  13.134   6.192   6.192
  435    HE   ARG  71           HE       ARG  71  10.437   6.722   6.722
  436   1HH1  ARG  71          HH21      ARG  71  13.601   7.970   7.970
  437   2HH1  ARG  71          HH22      ARG  71  13.063   9.606   9.606
  438   1HH2  ARG  71          HH11      ARG  71   9.725   8.854   8.854
  439   2HH2  ARG  71          HH12      ARG  71  10.874  10.106  10.106
  440    H    ALA  72           HN       ALA  72  12.482   0.819   0.819
  441    HA   ALA  72           HA       ALA  72  10.879  -0.884  -0.884
  442   1HB   ALA  72           HB1      ALA  72   9.861   1.286   1.286
  443   2HB   ALA  72           HB3      ALA  72   8.754  -0.026  -0.026
  444   3HB   ALA  72           HB2      ALA  72  10.287  -0.379  -0.379
  445    H    LEU  73           HN       LEU  73   8.925  -1.576  -1.576
  446    HA   LEU  73           HA       LEU  73   8.064   0.264   0.264
  447   1HB   LEU  73           HB2      LEU  73   7.645  -2.667  -2.667
  448   2HB   LEU  73           HB1      LEU  73   6.677  -1.838  -1.838
  449    HG   LEU  73           HG       LEU  73   9.710  -1.829  -1.829
  450   1HD1  LEU  73          HD11      LEU  73   7.712  -3.677  -3.677
  451   2HD1  LEU  73          HD13      LEU  73   9.108  -3.236  -3.236
  452   3HD1  LEU  73          HD12      LEU  73   9.342  -4.012  -4.012
  453   1HD2  LEU  73          HD23      LEU  73   7.605  -0.761  -0.761
  454   2HD2  LEU  73          HD22      LEU  73   8.980   0.089   0.089
  455   3HD2  LEU  73          HD21      LEU  73   9.238  -1.111  -1.111
  456    HA   PRO  74           HA       PRO  74   4.384   1.499   1.499
  457   1HB   PRO  74           HB2      PRO  74   2.976   2.073   2.073
  458   2HB   PRO  74           HB1      PRO  74   3.964   3.198   3.198
  459   1HG   PRO  74           HG2      PRO  74   4.538   2.024   2.024
  460   2HG   PRO  74           HG1      PRO  74   5.452   3.263   3.263
  461   1HD   PRO  74           HD1      PRO  74   6.124   0.473   0.473
  462   2HD   PRO  74           HD2      PRO  74   7.049   1.718   1.718
  463    HA   PRO  75           HA       PRO  75   2.275  -2.483  -2.483
  464   1HB   PRO  75           HB2      PRO  75   0.510  -1.598  -1.598
  465   2HB   PRO  75           HB1      PRO  75   1.787  -2.817  -2.817
  466   1HG   PRO  75           HG2      PRO  75   1.816  -0.167  -0.167
  467   2HG   PRO  75           HG1      PRO  75   3.111  -1.368  -1.368
  468   1HD   PRO  75           HD1      PRO  75   2.995   1.066   1.066
  469   2HD   PRO  75           HD2      PRO  75   4.306  -0.128  -0.128
  470    H    LEU  76           HN       LEU  76  -0.198  -2.973  -2.973
  471    HA   LEU  76           HA       LEU  76  -1.345  -1.618  -1.618
  472   1HB   LEU  76           HB2      LEU  76  -2.600  -3.077  -3.077
  473   2HB   LEU  76           HB1      LEU  76  -3.613  -2.321  -2.321
  474    HG   LEU  76           HG       LEU  76  -1.483  -4.434  -4.434
  475   1HD1  LEU  76          HD12      LEU  76  -3.673  -5.236  -5.236
  476   2HD1  LEU  76          HD11      LEU  76  -4.476  -4.433  -4.433
  477   3HD1  LEU  76          HD13      LEU  76  -3.376  -5.778  -5.778
  478   1HD2  LEU  76          HD21      LEU  76  -3.044  -2.700  -2.700
  479   2HD2  LEU  76          HD23      LEU  76  -1.309  -3.012  -3.012
  480   3HD2  LEU  76          HD22      LEU  76  -2.425  -4.278  -4.278
  481    HA   PRO  77           HA       PRO  77  -2.669   2.373   2.373
  482   1HB   PRO  77           HB2      PRO  77  -5.416   2.045   2.045
  483   2HB   PRO  77           HB1      PRO  77  -4.111   2.878   2.878
  484   1HG   PRO  77           HG2      PRO  77  -5.303   0.333   0.333
  485   2HG   PRO  77           HG1      PRO  77  -3.991   1.162   1.162
  486   1HD   PRO  77           HD1      PRO  77  -3.813  -1.196  -1.196
  487   2HD   PRO  77           HD2      PRO  77  -2.490  -0.344  -0.344
  488    H    ARG  78           HN       ARG  78  -3.686   3.429   3.429
  489    HA   ARG  78           HA       ARG  78  -5.743   1.990   1.990
  490   1HB   ARG  78           HB2      ARG  78  -3.691   1.124   1.124
  491   2HB   ARG  78           HB1      ARG  78  -3.033   2.753   2.753
  492   1HG   ARG  78           HG2      ARG  78  -5.463   2.972   2.972
  493   2HG   ARG  78           HG1      ARG  78  -4.945   1.342   1.342
  494   1HD   ARG  78           HD2      ARG  78  -3.735   2.405   2.405
  495   2HD   ARG  78           HD1      ARG  78  -2.609   2.731   2.731
  496    HE   ARG  78           HE       ARG  78  -3.278   4.998   4.998
  497   1HH1  ARG  78          HH21      ARG  78  -5.464   2.948   2.948
  498   2HH1  ARG  78          HH22      ARG  78  -6.369   4.262   4.262
  499   1HH2  ARG  78          HH11      ARG  78  -4.453   6.716   6.716
  500   2HH2  ARG  78          HH12      ARG  78  -5.799   6.392   6.392
  501    H    TYR  79           HN       TYR  79  -7.211   3.666   3.666
  502    HA   TYR  79           HA       TYR  79  -6.803   6.396   6.396
  503   1HB   TYR  79           HB2      TYR  79  -9.033   5.185   5.185
  504   2HB   TYR  79           HB1      TYR  79  -8.956   5.166   5.166
  505    HD1  TYR  79           HD1      TYR  79  -8.913   7.457   7.457
  506    HD2  TYR  79           HD2      TYR  79  -9.567   7.101   7.101
  507    HE1  TYR  79           HE1      TYR  79  -9.776   9.751   9.751
  508    HE2  TYR  79           HE2      TYR  79 -10.428   9.395   9.395
  509    HH   TYR  79           HH       TYR  79  -9.894  11.615  11.615

  Start of MODEL    5
    1   1H    THR   9           HT1      THR   9   4.283   1.415   1.415
    2   2H    THR   9           HT3      THR   9   4.408   2.691   2.691
    3   3H    THR   9           HT2      THR   9   5.622   2.457   2.457
    4    HA   THR   9           HA       THR   9   4.520   4.100   4.100
    5    HB   THR   9           HB       THR   9   1.927   3.065   3.065
    6    HG1  THR   9           HG1      THR   9   3.452   5.287   5.287
    7   1HG2  THR   9          HG23      THR   9   2.749   5.538   5.538
    8   2HG2  THR   9          HG22      THR   9   1.311   5.521   5.521
    9   3HG2  THR   9          HG21      THR   9   1.429   4.423   4.423
   10    H    PHE  10           HN       PHE  10   4.101   3.901   3.901
   11    HA   PHE  10           HA       PHE  10   3.095   1.254   1.254
   12   1HB   PHE  10           HB2      PHE  10   4.952   3.306   3.306
   13   2HB   PHE  10           HB1      PHE  10   4.001   2.346   2.346
   14    HD1  PHE  10           HD1      PHE  10   6.521   2.176   2.176
   15    HD2  PHE  10           HD2      PHE  10   4.420  -0.029  -0.029
   16    HE1  PHE  10           HE1      PHE  10   8.049   0.280   0.280
   17    HE2  PHE  10           HE2      PHE  10   5.948  -1.922  -1.922
   18    HZ   PHE  10           HZ       PHE  10   7.764  -1.770  -1.770
   19    H    VAL  11           HN       VAL  11   1.883   1.523   1.523
   20    HA   VAL  11           HA       VAL  11   0.186   3.950   3.950
   21    HB   VAL  11           HB       VAL  11  -0.818   1.140   1.140
   22   1HG1  VAL  11          HG12      VAL  11  -2.274   3.532   3.532
   23   2HG1  VAL  11          HG11      VAL  11  -3.114   2.190   2.190
   24   3HG1  VAL  11          HG13      VAL  11  -2.161   1.910   1.910
   25   1HG2  VAL  11          HG23      VAL  11  -0.537   3.563   3.563
   26   2HG2  VAL  11          HG22      VAL  11  -1.064   1.966   1.966
   27   3HG2  VAL  11          HG21      VAL  11  -2.238   3.114   3.114
   28    H    ALA  12           HN       ALA  12  -0.625   4.394   4.394
   29    HA   ALA  12           HA       ALA  12   0.721   3.154   3.154
   30   1HB   ALA  12           HB3      ALA  12  -1.659   5.030   5.030
   31   2HB   ALA  12           HB2      ALA  12  -0.820   4.572   4.572
   32   3HB   ALA  12           HB1      ALA  12   0.030   5.484   5.484
   33    H    LEU  13           HN       LEU  13   0.188   0.926   0.926
   34    HA   LEU  13           HA       LEU  13  -2.416  -0.167  -0.167
   35   1HB   LEU  13           HB2      LEU  13   0.084  -1.098  -1.098
   36   2HB   LEU  13           HB1      LEU  13  -1.408  -2.031  -2.031
   37    HG   LEU  13           HG       LEU  13   0.069  -1.258  -1.258
   38   1HD1  LEU  13          HD13      LEU  13  -0.387  -3.831  -3.831
   39   2HD1  LEU  13          HD12      LEU  13   0.018  -3.835  -3.835
   40   3HD1  LEU  13          HD11      LEU  13   1.140  -3.138  -3.138
   41   1HD2  LEU  13          HD22      LEU  13  -2.672  -2.396  -2.396
   42   2HD2  LEU  13          HD21      LEU  13  -2.176  -1.157  -1.157
   43   3HD2  LEU  13          HD23      LEU  13  -1.782  -2.849  -2.849
   44    H    TYR  14           HN       TYR  14  -0.785   1.300   1.300
   45    HA   TYR  14           HA       TYR  14  -3.371   1.134   1.134
   46   1HB   TYR  14           HB2      TYR  14  -0.617   0.502   0.502
   47   2HB   TYR  14           HB1      TYR  14  -2.024   0.792   0.792
   48    HD1  TYR  14           HD2      TYR  14  -1.070  -1.219  -1.219
   49    HD2  TYR  14           HD1      TYR  14  -3.349  -1.050  -1.050
   50    HE1  TYR  14           HE2      TYR  14  -1.818  -3.523  -3.523
   51    HE2  TYR  14           HE1      TYR  14  -4.093  -3.361  -3.361
   52    HH   TYR  14           HH       TYR  14  -4.261  -4.863  -4.863
   53    H    ASP  15           HN       ASP  15  -3.919   3.036   3.036
   54    HA   ASP  15           HA       ASP  15  -2.749   5.481   5.481
   55   1HB   ASP  15           HB2      ASP  15  -4.122   6.480   6.480
   56   2HB   ASP  15           HB1      ASP  15  -5.016   5.076   5.076
   57    H    TYR  16           HN       TYR  16  -0.874   6.457   6.457
   58    HA   TYR  16           HA       TYR  16   0.516   5.357   5.357
   59   1HB   TYR  16           HB2      TYR  16   1.781   5.119   5.119
   60   2HB   TYR  16           HB1      TYR  16   1.626   6.847   6.847
   61    HD1  TYR  16           HD1      TYR  16   2.261   5.191   5.191
   62    HD2  TYR  16           HD2      TYR  16   3.894   7.581   7.581
   63    HE1  TYR  16           HE1      TYR  16   4.249   5.613   5.613
   64    HE2  TYR  16           HE2      TYR  16   5.885   8.004   8.004
   65    HH   TYR  16           HH       TYR  16   7.096   6.948   6.948
   66    H    GLU  17           HN       GLU  17   0.189   6.646   6.646
   67    HA   GLU  17           HA       GLU  17   0.102   9.602   9.602
   68   1HB   GLU  17           HB2      GLU  17  -1.763   7.991   7.991
   69   2HB   GLU  17           HB1      GLU  17  -0.818   8.616   8.616
   70   1HG   GLU  17           HG2      GLU  17  -2.082  10.484  10.484
   71   2HG   GLU  17           HG1      GLU  17  -1.156  10.841  10.841
   72    H    SER  18           HN       SER  18   2.608   8.930   8.930
   73    HA   SER  18           HA       SER  18   3.988   8.228   8.228
   74   1HB   SER  18           HB2      SER  18   5.850   8.887   8.887
   75   2HB   SER  18           HB1      SER  18   4.730   9.107   9.107
   76    HG   SER  18           HG       SER  18   4.421  11.288  11.288
   77    H    ARG  19           HN       ARG  19   5.467  10.042  10.042
   78    HA   ARG  19           HA       ARG  19   3.617  12.219  12.219
   79   1HB   ARG  19           HB2      ARG  19   4.840  10.074  10.074
   80   2HB   ARG  19           HB1      ARG  19   5.334  11.652  11.652
   81   1HG   ARG  19           HG2      ARG  19   3.342  11.748  11.748
   82   2HG   ARG  19           HG1      ARG  19   2.601  11.934  11.934
   83   1HD   ARG  19           HD2      ARG  19   1.922   9.740   9.740
   84   2HD   ARG  19           HD1      ARG  19   3.305   9.164   9.164
   85    HE   ARG  19           HE       ARG  19   1.842  10.612  10.612
   86   1HH1  ARG  19          HH21      ARG  19   1.189   8.069   8.069
   87   2HH1  ARG  19          HH22      ARG  19  -0.063   7.364   7.364
   88   1HH2  ARG  19          HH11      ARG  19   0.213   9.699   9.699
   89   2HH2  ARG  19          HH12      ARG  19  -0.615   8.285   8.285
   90    H    THR  20           HN       THR  20   6.317  11.705  11.705
   91    HA   THR  20           HA       THR  20   7.813  13.987  13.987
   92    HB   THR  20           HB       THR  20   9.535  13.016  13.016
   93    HG1  THR  20           HG1      THR  20   9.169  10.984  10.984
   94   1HG2  THR  20          HG23      THR  20   8.997  12.151  12.151
   95   2HG2  THR  20          HG22      THR  20  10.372  11.514  11.514
   96   3HG2  THR  20          HG21      THR  20  10.243  13.247  13.247
   97    H    GLU  21           HN       GLU  21   8.655  15.621  15.621
   98    HA   GLU  21           HA       GLU  21   6.751  16.159  16.159
   99   1HB   GLU  21           HB2      GLU  21   8.192  18.292  18.292
  100   2HB   GLU  21           HB1      GLU  21   7.237  18.079  18.079
  101   1HG   GLU  21           HG2      GLU  21   9.085  17.750  17.750
  102   2HG   GLU  21           HG1      GLU  21   9.959  16.896  16.896
  103    H    THR  22           HN       THR  22   9.046  14.057  14.057
  104    HA   THR  22           HA       THR  22  10.486  15.070  15.070
  105    HB   THR  22           HB       THR  22  11.760  12.793  12.793
  106    HG1  THR  22           HG1      THR  22  10.479  12.012  12.012
  107   1HG2  THR  22          HG21      THR  22  12.455  15.299  15.299
  108   2HG2  THR  22          HG23      THR  22  12.225  14.948  14.948
  109   3HG2  THR  22          HG22      THR  22  13.403  14.030  14.030
  110    H    ASP  23           HN       ASP  23   8.304  12.550  12.550
  111    HA   ASP  23           HA       ASP  23   8.312  11.279  11.279
  112   1HB   ASP  23           HB2      ASP  23   6.345  10.240  10.240
  113   2HB   ASP  23           HB1      ASP  23   7.646   9.395   9.395
  114    H    LEU  24           HN       LEU  24   6.514  11.328  11.328
  115    HA   LEU  24           HA       LEU  24   4.578  13.491  13.491
  116   1HB   LEU  24           HB2      LEU  24   5.216  11.844  11.844
  117   2HB   LEU  24           HB1      LEU  24   3.847  12.954  12.954
  118    HG   LEU  24           HG       LEU  24   6.706  13.757  13.757
  119   1HD1  LEU  24          HD13      LEU  24   5.057  13.909  13.909
  120   2HD1  LEU  24          HD12      LEU  24   6.445  14.960  14.960
  121   3HD1  LEU  24          HD11      LEU  24   6.664  13.212  13.212
  122   1HD2  LEU  24          HD21      LEU  24   4.125  15.295  15.295
  123   2HD2  LEU  24          HD23      LEU  24   5.094  15.208  15.208
  124   3HD2  LEU  24          HD22      LEU  24   5.717  16.053  16.053
  125    H    SER  25           HN       SER  25   3.273  12.437  12.437
  126    HA   SER  25           HA       SER  25   2.165   9.888   9.888
  127   1HB   SER  25           HB2      SER  25   0.039  11.666  11.666
  128   2HB   SER  25           HB1      SER  25   1.080  10.741  10.741
  129    HG   SER  25           HG       SER  25   1.724  12.659  12.659
  130    H    PHE  26           HN       PHE  26   0.646   8.841   8.841
  131    HA   PHE  26           HA       PHE  26  -0.831  10.518  10.518
  132   1HB   PHE  26           HB2      PHE  26  -0.546   8.477   8.477
  133   2HB   PHE  26           HB1      PHE  26   0.856   9.522   9.522
  134    HD1  PHE  26           HD1      PHE  26  -0.689   6.309   6.309
  135    HD2  PHE  26           HD2      PHE  26   2.818   8.709   8.709
  136    HE1  PHE  26           HE1      PHE  26   0.578   4.379   4.379
  137    HE2  PHE  26           HE2      PHE  26   4.086   6.777   6.777
  138    HZ   PHE  26           HZ       PHE  26   2.968   4.611   4.611
  139    H    LYS  27           HN       LYS  27  -2.611   9.048   9.048
  140    HA   LYS  27           HA       LYS  27  -3.914   7.469   7.469
  141   1HB   LYS  27           HB2      LYS  27  -4.996   9.689   9.689
  142   2HB   LYS  27           HB1      LYS  27  -5.318   9.027   9.027
  143   1HG   LYS  27           HG2      LYS  27  -7.273   8.743   8.743
  144   2HG   LYS  27           HG1      LYS  27  -6.599   7.178   7.178
  145   1HD   LYS  27           HD2      LYS  27  -5.844   6.738   6.738
  146   2HD   LYS  27           HD1      LYS  27  -5.516   8.435   8.435
  147   1HE   LYS  27           HE2      LYS  27  -8.353   7.499   7.499
  148   2HE   LYS  27           HE1      LYS  27  -7.532   7.253   7.253
  149   1HZ   LYS  27           HZ1      LYS  27  -7.029   9.633   9.633
  150   2HZ   LYS  27           HZ3      LYS  27  -7.896   9.845   9.845
  151   3HZ   LYS  27           HZ2      LYS  27  -8.702   9.343   9.343
  152    H    LYS  28           HN       LYS  28  -5.427   5.767   5.767
  153    HA   LYS  28           HA       LYS  28  -4.163   4.017   4.017
  154   1HB   LYS  28           HB2      LYS  28  -5.881   3.150   3.150
  155   2HB   LYS  28           HB1      LYS  28  -7.076   4.271   4.271
  156   1HG   LYS  28           HG2      LYS  28  -7.167   3.140   3.140
  157   2HG   LYS  28           HG1      LYS  28  -5.668   2.267   2.267
  158   1HD   LYS  28           HD2      LYS  28  -6.746   0.967   0.967
  159   2HD   LYS  28           HD1      LYS  28  -8.229   1.907   1.907
  160   1HE   LYS  28           HE2      LYS  28  -8.107   1.134   1.134
  161   2HE   LYS  28           HE1      LYS  28  -7.049  -0.128  -0.128
  162   1HZ   LYS  28           HZ2      LYS  28  -9.568   0.376   0.376
  163   2HZ   LYS  28           HZ1      LYS  28  -9.640  -0.433  -0.433
  164   3HZ   LYS  28           HZ3      LYS  28  -8.721  -1.079  -1.079
  165    H    GLY  29           HN       GLY  29  -3.989   4.029   4.029
  166   1HA   GLY  29           HA2      GLY  29  -4.873   4.308   4.308
  167   2HA   GLY  29           HA1      GLY  29  -6.038   5.469   5.469
  168    H    GLU  30           HN       GLU  30  -3.022   6.054   6.054
  169    HA   GLU  30           HA       GLU  30  -2.703   8.478   8.478
  170   1HB   GLU  30           HB2      GLU  30  -2.305   8.282   8.282
  171   2HB   GLU  30           HB1      GLU  30  -0.794   7.476   7.476
  172   1HG   GLU  30           HG2      GLU  30   0.028   9.610   9.610
  173   2HG   GLU  30           HG1      GLU  30  -0.659   9.644   9.644
  174    H    ARG  31           HN       ARG  31  -1.745   8.255   8.255
  175    HA   ARG  31           HA       ARG  31   0.038   6.075   6.075
  176   1HB   ARG  31           HB2      ARG  31  -0.536   8.691   8.691
  177   2HB   ARG  31           HB1      ARG  31   0.422   7.377   7.377
  178   1HG   ARG  31           HG2      ARG  31  -1.810   6.025   6.025
  179   2HG   ARG  31           HG1      ARG  31  -2.505   7.584   7.584
  180   1HD   ARG  31           HD2      ARG  31  -1.964   7.354   7.354
  181   2HD   ARG  31           HD1      ARG  31  -0.506   6.424   6.424
  182    HE   ARG  31           HE       ARG  31  -1.800   4.477   4.477
  183   1HH1  ARG  31          HH21      ARG  31  -3.762   7.213   7.213
  184   2HH1  ARG  31          HH22      ARG  31  -5.253   6.342   6.342
  185   1HH2  ARG  31          HH11      ARG  31  -3.738   3.331   3.331
  186   2HH2  ARG  31          HH12      ARG  31  -5.239   4.146   4.146
  187    H    LEU  32           HN       LEU  32   2.169   5.944   5.944
  188    HA   LEU  32           HA       LEU  32   3.660   8.501   8.501
  189   1HB   LEU  32           HB2      LEU  32   3.881   5.910   5.910
  190   2HB   LEU  32           HB1      LEU  32   4.983   7.276   7.276
  191    HG   LEU  32           HG       LEU  32   2.156   8.047   8.047
  192   1HD1  LEU  32          HD13      LEU  32   3.336   6.059   6.059
  193   2HD1  LEU  32          HD12      LEU  32   2.002   7.127   7.127
  194   3HD1  LEU  32          HD11      LEU  32   1.803   5.948   5.948
  195   1HD2  LEU  32          HD23      LEU  32   4.588   9.078   9.078
  196   2HD2  LEU  32          HD22      LEU  32   3.036   9.638   9.638
  197   3HD2  LEU  32          HD21      LEU  32   3.982   8.463   8.463
  198    H    GLN  33           HN       GLN  33   5.531   8.654   8.654
  199    HA   GLN  33           HA       GLN  33   6.236   6.412   6.412
  200   1HB   GLN  33           HB2      GLN  33   6.203   8.804   8.804
  201   2HB   GLN  33           HB1      GLN  33   7.583   9.115   9.115
  202   1HG   GLN  33           HG2      GLN  33   9.026   8.136   8.136
  203   2HG   GLN  33           HG1      GLN  33   7.967   6.744   6.744
  204   1HE2  GLN  33          HE22      GLN  33   6.388   8.093   8.093
  205   2HE2  GLN  33          HE21      GLN  33   6.238   6.952   6.952
  206    H    ILE  34           HN       ILE  34   7.173   4.843   4.843
  207    HA   ILE  34           HA       ILE  34   8.965   5.220   5.220
  208    HB   ILE  34           HB       ILE  34   8.857   3.039   3.039
  209   1HG1  ILE  34          HG12      ILE  34   6.913   3.262   3.262
  210   2HG1  ILE  34          HG11      ILE  34   7.804   1.770   1.770
  211   1HG2  ILE  34          HG22      ILE  34  10.816   3.560   3.560
  212   2HG2  ILE  34          HG21      ILE  34  10.121   1.939   1.939
  213   3HG2  ILE  34          HG23      ILE  34  10.953   2.520   2.520
  214   1HD1  ILE  34          HD12      ILE  34   9.084   3.065   3.065
  215   2HD1  ILE  34          HD11      ILE  34   7.870   4.331   4.331
  216   3HD1  ILE  34          HD13      ILE  34   7.390   2.723   2.723
  217    H    VAL  35           HN       VAL  35  11.254   5.397   5.397
  218    HA   VAL  35           HA       VAL  35  12.534   6.344   6.344
  219    HB   VAL  35           HB       VAL  35  13.090   7.041   7.041
  220   1HG1  VAL  35          HG13      VAL  35  14.772   7.212   7.212
  221   2HG1  VAL  35          HG12      VAL  35  14.650   8.713   8.713
  222   3HG1  VAL  35          HG11      VAL  35  15.241   7.248   7.248
  223   1HG2  VAL  35          HG23      VAL  35  12.177   8.658   8.658
  224   2HG2  VAL  35          HG22      VAL  35  11.196   8.228   8.228
  225   3HG2  VAL  35          HG21      VAL  35  12.558   9.335   9.335
  226    H    ASN  36           HN       ASN  36  12.947   4.315   4.315
  227    HA   ASN  36           HA       ASN  36  14.782   2.581   2.581
  228   1HB   ASN  36           HB2      ASN  36  15.923   4.720   4.720
  229   2HB   ASN  36           HB1      ASN  36  16.127   3.327   3.327
  230   1HD2  ASN  36          HD22      ASN  36  19.058   2.865   2.865
  231   2HD2  ASN  36          HD21      ASN  36  18.511   3.559   3.559
  232    H    ASN  37           HN       ASN  37  15.537   0.755   0.755
  233    HA   ASN  37           HA       ASN  37  13.712   0.371   0.371
  234   1HB   ASN  37           HB2      ASN  37  13.088  -1.890  -1.890
  235   2HB   ASN  37           HB1      ASN  37  12.526  -0.628  -0.628
  236   1HD2  ASN  37          HD22      ASN  37  15.054  -1.430  -1.430
  237   2HD2  ASN  37          HD21      ASN  37  14.302  -0.082  -0.082
  238    H    THR  38           HN       THR  38  16.320   0.897   0.897
  239    HA   THR  38           HA       THR  38  17.651  -1.758  -1.758
  240    HB   THR  38           HB       THR  38  19.190  -0.448  -0.448
  241    HG1  THR  38           HG1      THR  38  20.424   0.651   0.651
  242   1HG2  THR  38          HG22      THR  38  18.219   1.903   1.903
  243   2HG2  THR  38          HG21      THR  38  19.493   1.983   1.983
  244   3HG2  THR  38          HG23      THR  38  17.841   1.591   1.591
  245    H    GLU  39           HN       GLU  39  16.509   1.081   1.081
  246    HA   GLU  39           HA       GLU  39  17.781   0.815   0.815
  247   1HB   GLU  39           HB2      GLU  39  15.431   2.104   2.104
  248   2HB   GLU  39           HB1      GLU  39  15.010   1.282   1.282
  249   1HG   GLU  39           HG2      GLU  39  17.558   2.860   2.860
  250   2HG   GLU  39           HG1      GLU  39  16.031   3.719   3.719
  251    H    GLY  40           HN       GLY  40  14.756  -0.807  -0.807
  252   1HA   GLY  40           HA2      GLY  40  14.751  -3.303  -3.303
  253   2HA   GLY  40           HA1      GLY  40  15.320  -2.842  -2.842
  254    H    ASP  41           HN       ASP  41  13.806  -1.076  -1.076
  255    HA   ASP  41           HA       ASP  41  10.980  -1.942  -1.942
  256   1HB   ASP  41           HB2      ASP  41  12.215  -0.993  -0.993
  257   2HB   ASP  41           HB1      ASP  41  10.573  -1.595  -1.595
  258    H    TRP  42           HN       TRP  42  12.777   0.476   0.476
  259    HA   TRP  42           HA       TRP  42  10.598   2.422   2.422
  260   1HB   TRP  42           HB2      TRP  42  13.215   2.833   2.833
  261   2HB   TRP  42           HB1      TRP  42  12.196   4.185   4.185
  262    HD1  TRP  42           HD1      TRP  42  12.517   1.537   1.537
  263    HE1  TRP  42           HE1      TRP  42  10.498   1.763   1.763
  264    HE3  TRP  42           HE3      TRP  42   9.842   4.664   4.664
  265    HZ2  TRP  42           HZ2      TRP  42   7.915   3.186   3.186
  266    HZ3  TRP  42           HZ3      TRP  42   7.629   5.480   5.480
  267    HH2  TRP  42           HH2      TRP  42   6.665   4.739   4.739
  268    H    TRP  43           HN       TRP  43  10.539   3.306   3.306
  269    HA   TRP  43           HA       TRP  43  13.137   3.685   3.685
  270   1HB   TRP  43           HB2      TRP  43  10.448   3.129   3.129
  271   2HB   TRP  43           HB1      TRP  43  12.017   3.183   3.183
  272    HD1  TRP  43           HD1      TRP  43  13.602   1.448   1.448
  273    HE1  TRP  43           HE1      TRP  43  13.113  -1.033  -1.033
  274    HE3  TRP  43           HE3      TRP  43   9.308   1.495   1.495
  275    HZ2  TRP  43           HZ2      TRP  43  11.024  -2.869  -2.869
  276    HZ3  TRP  43           HZ3      TRP  43   8.042  -0.557  -0.557
  277    HH2  TRP  43           HH2      TRP  43   8.901  -2.738  -2.738
  278    H    LEU  44           HN       LEU  44  13.032   5.484   5.484
  279    HA   LEU  44           HA       LEU  44  11.528   7.764   7.764
  280   1HB   LEU  44           HB2      LEU  44  13.990   7.961   7.961
  281   2HB   LEU  44           HB1      LEU  44  13.645   7.765   7.765
  282    HG   LEU  44           HG       LEU  44  12.297   9.900   9.900
  283   1HD1  LEU  44          HD13      LEU  44  15.039   9.818   9.818
  284   2HD1  LEU  44          HD12      LEU  44  14.123  11.315  11.315
  285   3HD1  LEU  44          HD11      LEU  44  14.459  10.665  10.665
  286   1HD2  LEU  44          HD21      LEU  44  12.264   9.008   9.008
  287   2HD2  LEU  44          HD23      LEU  44  11.187  10.139  10.139
  288   3HD2  LEU  44          HD22      LEU  44  12.702  10.711  10.711
  289    H    ALA  45           HN       ALA  45   9.698   8.498   8.498
  290    HA   ALA  45           HA       ALA  45   9.292   7.719   7.719
  291   1HB   ALA  45           HB3      ALA  45   7.376   7.755   7.755
  292   2HB   ALA  45           HB2      ALA  45   6.785   7.899   7.899
  293   3HB   ALA  45           HB1      ALA  45   7.679   6.461   6.461
  294    H    HIS  46           HN       HIS  46   8.365   9.305   9.305
  295    HA   HIS  46           HA       HIS  46   8.145  12.033  12.033
  296   1HB   HIS  46           HB2      HIS  46  10.121  12.055  12.055
  297   2HB   HIS  46           HB1      HIS  46   9.338  11.153  11.153
  298    HD1  HIS  46           HD1      HIS  46   9.038  14.504  14.504
  299    HD2  HIS  46           HD2      HIS  46   8.143  12.712  12.712
  300    HE1  HIS  46           HE1      HIS  46   8.240  16.297  16.297
  301    H    SER  47           HN       SER  47   6.206  13.023  13.023
  302    HA   SER  47           HA       SER  47   4.207  11.616  11.616
  303   1HB   SER  47           HB2      SER  47   4.181  13.563  13.563
  304   2HB   SER  47           HB1      SER  47   3.036  13.965  13.965
  305    HG   SER  47           HG       SER  47   2.985  11.937  11.937
  306    H    LEU  48           HN       LEU  48   3.487  12.329  12.329
  307    HA   LEU  48           HA       LEU  48   4.966  14.571  14.571
  308   1HB   LEU  48           HB2      LEU  48   2.904  12.727  12.727
  309   2HB   LEU  48           HB1      LEU  48   4.026  13.785  13.785
  310    HG   LEU  48           HG       LEU  48   4.963  11.603  11.603
  311   1HD1  LEU  48          HD13      LEU  48   3.942  11.441  11.441
  312   2HD1  LEU  48          HD12      LEU  48   5.519  10.692  10.692
  313   3HD1  LEU  48          HD11      LEU  48   4.135  10.168  10.168
  314   1HD2  LEU  48          HD21      LEU  48   6.211  13.489  13.489
  315   2HD2  LEU  48          HD23      LEU  48   6.763  13.033  13.033
  316   3HD2  LEU  48          HD22      LEU  48   6.959  11.914  11.914
  317    H    THR  49           HN       THR  49   2.748  14.871  14.871
  318    HA   THR  49           HA       THR  49   0.684  16.296  16.296
  319    HB   THR  49           HB       THR  49   0.923  15.753  15.753
  320    HG1  THR  49           HG1      THR  49  -0.042  13.974  13.974
  321   1HG2  THR  49          HG21      THR  49  -0.489  17.792  17.792
  322   2HG2  THR  49          HG23      THR  49  -1.687  16.501  16.501
  323   3HG2  THR  49          HG22      THR  49  -0.891  17.059  17.059
  324    H    THR  50           HN       THR  50   2.140  17.219  17.219
  325    HA   THR  50           HA       THR  50   2.302  20.005  20.005
  326    HB   THR  50           HB       THR  50   1.427  19.802  19.802
  327    HG1  THR  50           HG1      THR  50   2.680  21.315  21.315
  328   1HG2  THR  50          HG22      THR  50   3.471  17.687  17.687
  329   2HG2  THR  50          HG21      THR  50   3.289  18.661  18.661
  330   3HG2  THR  50          HG23      THR  50   1.898  17.809  17.809
  331    H    GLY  51           HN       GLY  51   4.365  17.271  17.271
  332   1HA   GLY  51           HA2      GLY  51   6.600  17.102  17.102
  333   2HA   GLY  51           HA1      GLY  51   6.658  18.860  18.860
  334    H    GLN  52           HN       GLN  52   6.552  16.251  16.251
  335    HA   GLN  52           HA       GLN  52   8.559  17.746  17.746
  336   1HB   GLN  52           HB2      GLN  52   5.788  17.028  17.028
  337   2HB   GLN  52           HB1      GLN  52   7.128  17.254  17.254
  338   1HG   GLN  52           HG2      GLN  52   7.510  19.507  19.507
  339   2HG   GLN  52           HG1      GLN  52   5.895  19.272  19.272
  340   1HE2  GLN  52          HE22      GLN  52   4.321  19.499  19.499
  341   2HE2  GLN  52          HE21      GLN  52   4.216  18.589  18.589
  342    H    THR  53           HN       THR  53   9.516  16.346  16.346
  343    HA   THR  53           HA       THR  53   9.534  13.519  13.519
  344    HB   THR  53           HB       THR  53  11.381  15.185  15.185
  345    HG1  THR  53           HG1      THR  53  11.564  13.719  13.719
  346   1HG2  THR  53          HG22      THR  53  11.450  12.180  12.180
  347   2HG2  THR  53          HG21      THR  53  12.720  13.135  13.135
  348   3HG2  THR  53          HG23      THR  53  11.133  13.013  13.013
  349    H    GLY  54           HN       GLY  54   9.387  11.795  11.795
  350   1HA   GLY  54           HA2      GLY  54   8.520  12.373  12.373
  351   2HA   GLY  54           HA1      GLY  54   7.175  11.880  11.880
  352    H    TYR  55           HN       TYR  55   9.668  10.750  10.750
  353    HA   TYR  55           HA       TYR  55  10.288   8.260   8.260
  354   1HB   TYR  55           HB2      TYR  55  10.267   8.657   8.657
  355   2HB   TYR  55           HB1      TYR  55  11.374   7.694   7.694
  356    HD1  TYR  55           HD1      TYR  55  11.947   9.666   9.666
  357    HD2  TYR  55           HD2      TYR  55  11.766  10.202  10.202
  358    HE1  TYR  55           HE1      TYR  55  13.465  11.582  11.582
  359    HE2  TYR  55           HE2      TYR  55  13.286  12.118  12.118
  360    HH   TYR  55           HH       TYR  55  15.218  12.758  12.758
  361    H    ILE  56           HN       ILE  56   8.726   6.770   6.770
  362    HA   ILE  56           HA       ILE  56   6.449   6.494   6.494
  363    HB   ILE  56           HB       ILE  56   5.290   5.350   5.350
  364   1HG1  ILE  56          HG12      ILE  56   7.290   6.065   6.065
  365   2HG1  ILE  56          HG11      ILE  56   7.841   4.813   4.813
  366   1HG2  ILE  56          HG23      ILE  56   5.178   7.820   7.820
  367   2HG2  ILE  56          HG22      ILE  56   6.609   7.948   7.948
  368   3HG2  ILE  56          HG21      ILE  56   5.110   7.288   7.288
  369   1HD1  ILE  56          HD11      ILE  56   5.119   4.261   4.261
  370   2HD1  ILE  56          HD13      ILE  56   6.029   4.542   4.542
  371   3HD1  ILE  56          HD12      ILE  56   6.554   3.297   3.297
  372    HA   PRO  57           HA       PRO  57   8.024   2.680   2.680
  373   1HB   PRO  57           HB2      PRO  57   5.413   1.549   1.549
  374   2HB   PRO  57           HB1      PRO  57   6.444   2.298   2.298
  375   1HG   PRO  57           HG2      PRO  57   4.028   3.366   3.366
  376   2HG   PRO  57           HG1      PRO  57   5.030   4.089   4.089
  377   1HD   PRO  57           HD1      PRO  57   4.810   4.902   4.902
  378   2HD   PRO  57           HD2      PRO  57   5.841   5.606   5.606
  379    H    SER  58           HN       SER  58   7.993   0.337   0.337
  380    HA   SER  58           HA       SER  58   7.399  -0.016  -0.016
  381   1HB   SER  58           HB2      SER  58   8.466  -2.380  -2.380
  382   2HB   SER  58           HB1      SER  58   9.460  -0.970  -0.970
  383    HG   SER  58           HG       SER  58   8.722  -2.043  -2.043
  384    H    ASN  59           HN       ASN  59   6.458  -1.409  -1.409
  385    HA   ASN  59           HA       ASN  59   4.722  -3.410  -3.410
  386   1HB   ASN  59           HB2      ASN  59   3.766  -3.380  -3.380
  387   2HB   ASN  59           HB1      ASN  59   5.411  -3.954  -3.954
  388   1HD2  ASN  59          HD22      ASN  59   5.051  -0.121  -0.121
  389   2HD2  ASN  59          HD21      ASN  59   3.974  -0.641  -0.641
  390    H    TYR  60           HN       TYR  60   4.446  -0.107  -0.107
  391    HA   TYR  60           HA       TYR  60   1.467  -0.218  -0.218
  392   1HB   TYR  60           HB2      TYR  60   3.497   1.896   1.896
  393   2HB   TYR  60           HB1      TYR  60   1.919   2.413   2.413
  394    HD1  TYR  60           HD1      TYR  60   2.131  -0.709  -0.709
  395    HD2  TYR  60           HD2      TYR  60   1.457   3.473   3.473
  396    HE1  TYR  60           HE1      TYR  60   1.189  -1.056  -1.056
  397    HE2  TYR  60           HE2      TYR  60   0.513   3.127   3.127
  398    HH   TYR  60           HH       TYR  60   0.517   1.553   1.553
  399    H    VAL  61           HN       VAL  61   3.695  -0.539  -0.539
  400    HA   VAL  61           HA       VAL  61   2.008   0.894   0.894
  401    HB   VAL  61           HB       VAL  61   4.222   2.061   2.061
  402   1HG1  VAL  61          HG11      VAL  61   5.329  -0.370  -0.370
  403   2HG1  VAL  61          HG13      VAL  61   5.538   0.069   0.069
  404   3HG1  VAL  61          HG12      VAL  61   6.240   1.078   1.078
  405   1HG2  VAL  61          HG22      VAL  61   2.795   1.851   1.851
  406   2HG2  VAL  61          HG21      VAL  61   4.157   2.944   2.944
  407   3HG2  VAL  61          HG23      VAL  61   4.408   1.377   1.377
  408    H    ALA  62           HN       ALA  62   2.819   0.040   0.040
  409    HA   ALA  62           HA       ALA  62   3.885  -2.589  -2.589
  410   1HB   ALA  62           HB3      ALA  62   0.912  -2.386  -2.386
  411   2HB   ALA  62           HB2      ALA  62   1.579  -3.662  -3.662
  412   3HB   ALA  62           HB1      ALA  62   2.046  -3.553  -3.553
  413    HA   PRO  63           HA       PRO  63   3.860  -1.468  -1.468
  414   1HB   PRO  63           HB2      PRO  63   3.295  -4.100  -4.100
  415   2HB   PRO  63           HB1      PRO  63   4.869  -3.305  -3.305
  416   1HG   PRO  63           HG2      PRO  63   3.828  -5.471  -5.471
  417   2HG   PRO  63           HG1      PRO  63   5.422  -4.715  -4.715
  418   1HD   PRO  63           HD1      PRO  63   3.237  -4.439  -4.439
  419   2HD   PRO  63           HD2      PRO  63   4.821  -3.643  -3.643
  420    H    SER  64           HN       SER  64   2.258  -0.633  -0.633
  421    HA   SER  64           HA       SER  64  -0.343  -2.060  -2.060
  422   1HB   SER  64           HB2      SER  64  -0.902  -0.540  -0.540
  423   2HB   SER  64           HB1      SER  64   0.094   0.741   0.741
  424    HG   SER  64           HG       SER  64  -2.437   0.455   0.455
  425   1H    ARG  71           HT2      ARG  71  12.868   2.996   2.996
  426   2H    ARG  71           HT1      ARG  71  13.900   4.080   4.080
  427   3H    ARG  71           HT3      ARG  71  12.552   4.663   4.663
  428    HA   ARG  71           HA       ARG  71  11.458   4.636   4.636
  429   1HB   ARG  71           HB2      ARG  71  13.960   4.080   4.080
  430   2HB   ARG  71           HB1      ARG  71  13.123   2.604   2.604
  431   1HG   ARG  71           HG2      ARG  71  12.840   4.075   4.075
  432   2HG   ARG  71           HG1      ARG  71  11.311   4.165   4.165
  433   1HD   ARG  71           HD2      ARG  71  13.059   6.084   6.084
  434   2HD   ARG  71           HD1      ARG  71  13.159   6.285   6.285
  435    HE   ARG  71           HE       ARG  71  10.828   6.852   6.852
  436   1HH1  ARG  71          HH21      ARG  71  12.024   5.960   5.960
  437   2HH1  ARG  71          HH22      ARG  71  10.643   6.573   6.573
  438   1HH2  ARG  71          HH11      ARG  71   9.027   7.656   7.656
  439   2HH2  ARG  71          HH12      ARG  71   8.949   7.533   7.533
  440    H    ALA  72           HN       ALA  72  10.791   2.863   2.863
  441    HA   ALA  72           HA       ALA  72  10.383   0.169   0.169
  442   1HB   ALA  72           HB3      ALA  72   9.684   1.643   1.643
  443   2HB   ALA  72           HB2      ALA  72   8.125   1.652   1.652
  444   3HB   ALA  72           HB1      ALA  72   8.868   0.121   0.121
  445    H    LEU  73           HN       LEU  73   9.147  -0.863  -0.863
  446    HA   LEU  73           HA       LEU  73   7.779   0.633   0.633
  447   1HB   LEU  73           HB2      LEU  73   7.970  -2.283  -2.283
  448   2HB   LEU  73           HB1      LEU  73   6.830  -1.751  -1.751
  449    HG   LEU  73           HG       LEU  73   9.800  -1.135  -1.135
  450   1HD1  LEU  73          HD11      LEU  73   8.399  -3.508  -3.508
  451   2HD1  LEU  73          HD13      LEU  73   8.905  -2.720  -2.720
  452   3HD1  LEU  73          HD12      LEU  73  10.102  -3.135  -3.135
  453   1HD2  LEU  73          HD21      LEU  73   7.474  -0.246  -0.246
  454   2HD2  LEU  73          HD23      LEU  73   9.035   0.537   0.537
  455   3HD2  LEU  73          HD22      LEU  73   8.875  -0.755  -0.755
  456    HA   PRO  74           HA       PRO  74   3.907   1.274   1.274
  457   1HB   PRO  74           HB2      PRO  74   2.485   1.500   1.500
  458   2HB   PRO  74           HB1      PRO  74   3.153   2.815   2.815
  459   1HG   PRO  74           HG2      PRO  74   4.093   1.811   1.811
  460   2HG   PRO  74           HG1      PRO  74   4.689   3.200   3.200
  461   1HD   PRO  74           HD1      PRO  74   5.948   0.624   0.624
  462   2HD   PRO  74           HD2      PRO  74   6.542   2.014   2.014
  463    HA   PRO  75           HA       PRO  75   2.659  -3.065  -3.065
  464   1HB   PRO  75           HB2      PRO  75   0.798  -2.570  -2.570
  465   2HB   PRO  75           HB1      PRO  75   2.332  -3.446  -3.446
  466   1HG   PRO  75           HG2      PRO  75   1.731  -0.817  -0.817
  467   2HG   PRO  75           HG1      PRO  75   3.252  -1.710  -1.710
  468   1HD   PRO  75           HD1      PRO  75   2.683   0.593   0.593
  469   2HD   PRO  75           HD2      PRO  75   4.195  -0.333  -0.333
  470    H    LEU  76           HN       LEU  76   0.986  -3.872  -3.872
  471    HA   LEU  76           HA       LEU  76  -0.980  -2.088  -2.088
  472   1HB   LEU  76           HB2      LEU  76  -0.626  -5.091  -5.091
  473   2HB   LEU  76           HB1      LEU  76  -1.972  -4.293  -4.293
  474    HG   LEU  76           HG       LEU  76   0.710  -3.137  -3.137
  475   1HD1  LEU  76          HD12      LEU  76   0.446  -5.922  -5.922
  476   2HD1  LEU  76          HD11      LEU  76   0.214  -5.392  -5.392
  477   3HD1  LEU  76          HD13      LEU  76   1.688  -4.959  -4.959
  478   1HD2  LEU  76          HD21      LEU  76  -1.802  -2.841  -2.841
  479   2HD2  LEU  76          HD23      LEU  76  -0.323  -2.425  -2.425
  480   3HD2  LEU  76          HD22      LEU  76  -1.097  -3.985  -3.985
  481    HA   PRO  77           HA       PRO  77  -4.307  -2.241  -2.241
  482   1HB   PRO  77           HB2      PRO  77  -6.320  -2.980  -2.980
  483   2HB   PRO  77           HB1      PRO  77  -5.974  -1.375  -1.375
  484   1HG   PRO  77           HG2      PRO  77  -5.403  -2.362  -2.362
  485   2HG   PRO  77           HG1      PRO  77  -5.050  -0.759  -0.759
  486   1HD   PRO  77           HD1      PRO  77  -3.188  -2.887  -2.887
  487   2HD   PRO  77           HD2      PRO  77  -2.832  -1.277  -1.277
  488    H    ARG  78           HN       ARG  78  -6.288  -3.764  -3.764
  489    HA   ARG  78           HA       ARG  78  -6.982  -5.899  -5.899
  490   1HB   ARG  78           HB2      ARG  78  -5.697  -6.461  -6.461
  491   2HB   ARG  78           HB1      ARG  78  -6.300  -7.782  -7.782
  492   1HG   ARG  78           HG2      ARG  78  -8.174  -5.523  -5.523
  493   2HG   ARG  78           HG1      ARG  78  -7.829  -6.348  -6.348
  494   1HD   ARG  78           HD2      ARG  78  -8.911  -8.242  -8.242
  495   2HD   ARG  78           HD1      ARG  78  -8.280  -8.154  -8.154
  496    HE   ARG  78           HE       ARG  78 -10.126  -6.090  -6.090
  497   1HH1  ARG  78          HH21      ARG  78 -10.108  -9.478  -9.478
  498   2HH1  ARG  78          HH22      ARG  78 -11.773  -9.699  -9.699
  499   1HH2  ARG  78          HH11      ARG  78 -12.300  -6.369  -6.369
  500   2HH2  ARG  78          HH12      ARG  78 -13.014  -7.942  -7.942
  501    H    TYR  79           HN       TYR  79  -5.338  -5.497  -5.497
  502    HA   TYR  79           HA       TYR  79  -2.684  -6.510  -6.510
  503   1HB   TYR  79           HB2      TYR  79  -2.641  -6.276  -6.276
  504   2HB   TYR  79           HB1      TYR  79  -3.807  -5.063  -5.063
  505    HD1  TYR  79           HD2      TYR  79  -6.316  -6.060  -6.060
  506    HD2  TYR  79           HD1      TYR  79  -3.288  -7.646  -7.646
  507    HE1  TYR  79           HE2      TYR  79  -8.034  -7.121  -7.121
  508    HE2  TYR  79           HE1      TYR  79  -5.006  -8.704  -8.704
  509    HH   TYR  79           HH       TYR  79  -8.198  -7.894  -7.894

  Start of MODEL    6
    1   1H    THR   9           HT3      THR   9   6.382   3.145   3.145
    2   2H    THR   9           HT2      THR   9   5.535   2.461   2.461
    3   3H    THR   9           HT1      THR   9   6.131   4.047   4.047
    4    HA   THR   9           HA       THR   9   4.631   4.775   4.775
    5    HB   THR   9           HB       THR   9   2.921   3.244   3.244
    6    HG1  THR   9           HG1      THR   9   3.583   4.605   4.605
    7   1HG2  THR   9          HG22      THR   9   2.938   5.872   5.872
    8   2HG2  THR   9          HG21      THR   9   2.179   5.811   5.811
    9   3HG2  THR   9          HG23      THR   9   1.598   4.764   4.764
   10    H    PHE  10           HN       PHE  10   4.130   3.976   3.976
   11    HA   PHE  10           HA       PHE  10   3.050   1.194   1.194
   12   1HB   PHE  10           HB2      PHE  10   4.540   2.916   2.916
   13   2HB   PHE  10           HB1      PHE  10   3.639   1.486   1.486
   14    HD1  PHE  10           HD2      PHE  10   5.775   2.197   2.197
   15    HD2  PHE  10           HD1      PHE  10   5.145  -0.263  -0.263
   16    HE1  PHE  10           HE2      PHE  10   7.645   0.761   0.761
   17    HE2  PHE  10           HE1      PHE  10   7.017  -1.696  -1.696
   18    HZ   PHE  10           HZ       PHE  10   8.268  -1.187  -1.187
   19    H    VAL  11           HN       VAL  11   1.717   1.213   1.213
   20    HA   VAL  11           HA       VAL  11  -0.167   3.515   3.515
   21    HB   VAL  11           HB       VAL  11  -1.185   0.675   0.675
   22   1HG1  VAL  11          HG12      VAL  11  -2.406   3.380   3.380
   23   2HG1  VAL  11          HG11      VAL  11  -3.261   1.852   1.852
   24   3HG1  VAL  11          HG13      VAL  11  -2.739   2.352   2.352
   25   1HG2  VAL  11          HG21      VAL  11  -0.799   2.428   2.428
   26   2HG2  VAL  11          HG23      VAL  11   0.000   0.888   0.888
   27   3HG2  VAL  11          HG22      VAL  11  -1.738   0.937   0.937
   28    H    ALA  12           HN       ALA  12  -0.555   4.206   4.206
   29    HA   ALA  12           HA       ALA  12   0.588   2.899   2.899
   30   1HB   ALA  12           HB3      ALA  12  -1.437   5.126   5.126
   31   2HB   ALA  12           HB2      ALA  12  -0.879   4.559   4.559
   32   3HB   ALA  12           HB1      ALA  12   0.268   5.257   5.257
   33    H    LEU  13           HN       LEU  13  -0.219   0.774   0.774
   34    HA   LEU  13           HA       LEU  13  -2.881  -0.084  -0.084
   35   1HB   LEU  13           HB2      LEU  13  -0.663  -1.045  -1.045
   36   2HB   LEU  13           HB1      LEU  13  -2.212  -1.876  -1.876
   37    HG   LEU  13           HG       LEU  13  -0.299  -1.297  -1.297
   38   1HD1  LEU  13          HD11      LEU  13  -0.331  -3.370  -3.370
   39   2HD1  LEU  13          HD13      LEU  13  -0.904  -4.074  -4.074
   40   3HD1  LEU  13          HD12      LEU  13   0.666  -3.270  -3.270
   41   1HD2  LEU  13          HD22      LEU  13  -3.111  -1.864  -1.864
   42   2HD2  LEU  13          HD21      LEU  13  -2.064  -1.657  -1.657
   43   3HD2  LEU  13          HD23      LEU  13  -2.267  -3.254  -3.254
   44    H    TYR  14           HN       TYR  14  -1.453   1.912   1.912
   45    HA   TYR  14           HA       TYR  14  -4.080   2.010   2.010
   46   1HB   TYR  14           HB2      TYR  14  -1.489   1.716   1.716
   47   2HB   TYR  14           HB1      TYR  14  -3.133   1.674   1.674
   48    HD1  TYR  14           HD1      TYR  14  -0.701  -0.143  -0.143
   49    HD2  TYR  14           HD2      TYR  14  -4.470  -0.321  -0.321
   50    HE1  TYR  14           HE1      TYR  14  -0.839  -2.538  -2.538
   51    HE2  TYR  14           HE2      TYR  14  -4.600  -2.727  -2.727
   52    HH   TYR  14           HH       TYR  14  -3.131  -4.590  -4.590
   53    H    ASP  15           HN       ASP  15  -4.278   3.963   3.963
   54    HA   ASP  15           HA       ASP  15  -2.993   6.257   6.257
   55   1HB   ASP  15           HB2      ASP  15  -4.711   6.230   6.230
   56   2HB   ASP  15           HB1      ASP  15  -4.414   7.593   7.593
   57    H    TYR  16           HN       TYR  16  -1.007   6.963   6.963
   58    HA   TYR  16           HA       TYR  16   0.009   6.287   6.287
   59   1HB   TYR  16           HB2      TYR  16   1.412   5.674   5.674
   60   2HB   TYR  16           HB1      TYR  16   1.496   7.378   7.378
   61    HD1  TYR  16           HD2      TYR  16   1.841   5.456   5.456
   62    HD2  TYR  16           HD1      TYR  16   3.539   8.350   8.350
   63    HE1  TYR  16           HE2      TYR  16   3.710   5.757   5.757
   64    HE2  TYR  16           HE1      TYR  16   5.409   8.661   8.661
   65    HH   TYR  16           HH       TYR  16   6.541   7.482   7.482
   66    H    GLU  17           HN       GLU  17  -0.091   7.862   7.862
   67    HA   GLU  17           HA       GLU  17  -0.441  10.673  10.673
   68   1HB   GLU  17           HB2      GLU  17  -1.643   9.142   9.142
   69   2HB   GLU  17           HB1      GLU  17  -0.598  10.291  10.291
   70   1HG   GLU  17           HG2      GLU  17  -1.909  12.050  12.050
   71   2HG   GLU  17           HG1      GLU  17  -2.078  11.491  11.491
   72    H    SER  18           HN       SER  18   2.011  10.458  10.458
   73    HA   SER  18           HA       SER  18   4.043  10.213  10.213
   74   1HB   SER  18           HB2      SER  18   4.066  12.365  12.365
   75   2HB   SER  18           HB1      SER  18   5.424  11.432  11.432
   76    HG   SER  18           HG       SER  18   3.558  10.781  10.781
   77    H    ARG  19           HN       ARG  19   5.400  12.314  12.314
   78    HA   ARG  19           HA       ARG  19   3.492  14.364  14.364
   79   1HB   ARG  19           HB2      ARG  19   4.865  12.403  12.403
   80   2HB   ARG  19           HB1      ARG  19   5.580  13.975  13.975
   81   1HG   ARG  19           HG2      ARG  19   2.611  13.881  13.881
   82   2HG   ARG  19           HG1      ARG  19   3.346  13.078  13.078
   83   1HD   ARG  19           HD2      ARG  19   4.689  15.202  15.202
   84   2HD   ARG  19           HD1      ARG  19   3.671  15.969  15.969
   85    HE   ARG  19           HE       ARG  19   2.870  15.288  15.288
   86   1HH1  ARG  19          HH21      ARG  19   1.888  15.840  15.840
   87   2HH1  ARG  19          HH22      ARG  19   0.274  16.297  16.297
   88   1HH2  ARG  19          HH11      ARG  19   0.769  15.881  15.881
   89   2HH2  ARG  19          HH12      ARG  19  -0.360  16.320  16.320
   90    H    THR  20           HN       THR  20   6.872  13.506  13.506
   91    HA   THR  20           HA       THR  20   7.567  16.396  16.396
   92    HB   THR  20           HB       THR  20   9.901  15.096  15.096
   93    HG1  THR  20           HG1      THR  20   9.639  13.342  13.342
   94   1HG2  THR  20          HG21      THR  20   9.261  16.744  16.744
   95   2HG2  THR  20          HG23      THR  20   8.829  15.327  15.327
   96   3HG2  THR  20          HG22      THR  20  10.489  15.544  15.544
   97    H    GLU  21           HN       GLU  21   8.307  17.404  17.404
   98    HA   GLU  21           HA       GLU  21   7.245  16.648  16.648
   99   1HB   GLU  21           HB2      GLU  21   9.096  18.109  18.109
  100   2HB   GLU  21           HB1      GLU  21   8.092  18.871  18.871
  101   1HG   GLU  21           HG2      GLU  21  10.035  17.737  17.737
  102   2HG   GLU  21           HG1      GLU  21  10.953  18.120  18.120
  103    H    THR  22           HN       THR  22  10.083  15.445  15.445
  104    HA   THR  22           HA       THR  22  11.595  14.422  14.422
  105    HB   THR  22           HB       THR  22  11.376  12.470  12.470
  106    HG1  THR  22           HG1      THR  22  12.325  14.210  14.210
  107   1HG2  THR  22          HG22      THR  22  13.370  13.986  13.986
  108   2HG2  THR  22          HG21      THR  22  13.791  13.829  13.829
  109   3HG2  THR  22          HG23      THR  22  13.495  12.387  12.387
  110    H    ASP  23           HN       ASP  23   8.862  12.855  12.855
  111    HA   ASP  23           HA       ASP  23   8.756  10.825  10.825
  112   1HB   ASP  23           HB2      ASP  23   7.233  10.999  10.999
  113   2HB   ASP  23           HB1      ASP  23   7.163   9.654   9.654
  114    H    LEU  24           HN       LEU  24   7.098  10.794  10.794
  115    HA   LEU  24           HA       LEU  24   5.259  13.107  13.107
  116   1HB   LEU  24           HB2      LEU  24   6.235  11.154  11.154
  117   2HB   LEU  24           HB1      LEU  24   4.603  11.782  11.782
  118    HG   LEU  24           HG       LEU  24   7.047  13.518  13.518
  119   1HD1  LEU  24          HD12      LEU  24   6.873  12.136  12.136
  120   2HD1  LEU  24          HD11      LEU  24   5.561  13.244  13.244
  121   3HD1  LEU  24          HD13      LEU  24   7.185  13.868  13.868
  122   1HD2  LEU  24          HD21      LEU  24   4.458  14.152  14.152
  123   2HD2  LEU  24          HD23      LEU  24   5.641  15.321  15.321
  124   3HD2  LEU  24          HD22      LEU  24   4.552  14.523  14.523
  125    H    SER  25           HN       SER  25   3.074  12.936  12.936
  126    HA   SER  25           HA       SER  25   2.090  10.301  10.301
  127   1HB   SER  25           HB2      SER  25   0.089  12.345  12.345
  128   2HB   SER  25           HB1      SER  25   0.950  11.557  11.557
  129    HG   SER  25           HG       SER  25   1.954  13.360  13.360
  130    H    PHE  26           HN       PHE  26   0.333   9.245   9.245
  131    HA   PHE  26           HA       PHE  26  -0.825  10.508  10.508
  132   1HB   PHE  26           HB2      PHE  26  -0.600   8.095   8.095
  133   2HB   PHE  26           HB1      PHE  26   0.781   9.193   9.193
  134    HD1  PHE  26           HD1      PHE  26  -0.690   6.300   6.300
  135    HD2  PHE  26           HD2      PHE  26   2.763   8.752   8.752
  136    HE1  PHE  26           HE1      PHE  26   0.622   4.685   4.685
  137    HE2  PHE  26           HE2      PHE  26   4.072   7.137   7.137
  138    HZ   PHE  26           HZ       PHE  26   3.005   5.103   5.103
  139    H    LYS  27           HN       LYS  27  -2.707   9.036   9.036
  140    HA   LYS  27           HA       LYS  27  -4.194   8.105   8.105
  141   1HB   LYS  27           HB2      LYS  27  -4.915   9.783   9.783
  142   2HB   LYS  27           HB1      LYS  27  -5.933   8.344   8.344
  143   1HG   LYS  27           HG2      LYS  27  -6.891   8.830   8.830
  144   2HG   LYS  27           HG1      LYS  27  -5.467   9.696   9.696
  145   1HD   LYS  27           HD2      LYS  27  -6.558  11.605  11.605
  146   2HD   LYS  27           HD1      LYS  27  -6.332  11.182  11.182
  147   1HE   LYS  27           HE2      LYS  27  -8.471  10.180  10.180
  148   2HE   LYS  27           HE1      LYS  27  -8.638  10.071  10.071
  149   1HZ   LYS  27           HZ2      LYS  27  -8.282  12.725  12.725
  150   2HZ   LYS  27           HZ1      LYS  27  -9.789  11.971  11.971
  151   3HZ   LYS  27           HZ3      LYS  27  -9.193  12.248  12.248
  152    H    LYS  28           HN       LYS  28  -6.111   6.523   6.523
  153    HA   LYS  28           HA       LYS  28  -4.570   4.163   4.163
  154   1HB   LYS  28           HB2      LYS  28  -6.393   3.975   3.975
  155   2HB   LYS  28           HB1      LYS  28  -7.552   4.502   4.502
  156   1HG   LYS  28           HG2      LYS  28  -6.887   2.551   2.551
  157   2HG   LYS  28           HG1      LYS  28  -5.833   2.003   2.003
  158   1HD   LYS  28           HD2      LYS  28  -8.201   2.409   2.409
  159   2HD   LYS  28           HD1      LYS  28  -8.768   1.844   1.844
  160   1HE   LYS  28           HE2      LYS  28  -6.486   0.370   0.370
  161   2HE   LYS  28           HE1      LYS  28  -8.073   0.142   0.142
  162   1HZ   LYS  28           HZ3      LYS  28  -8.051   0.051   0.051
  163   2HZ   LYS  28           HZ2      LYS  28  -7.180  -1.202  -1.202
  164   3HZ   LYS  28           HZ1      LYS  28  -8.821  -0.973  -0.973
  165    H    GLY  29           HN       GLY  29  -4.068   4.015   4.015
  166   1HA   GLY  29           HA2      GLY  29  -4.874   3.442   3.442
  167   2HA   GLY  29           HA1      GLY  29  -6.269   4.484   4.484
  168    H    GLU  30           HN       GLU  30  -3.338   5.805   5.805
  169    HA   GLU  30           HA       GLU  30  -3.398   7.808   7.808
  170   1HB   GLU  30           HB2      GLU  30  -3.193   8.735   8.735
  171   2HB   GLU  30           HB1      GLU  30  -1.889   7.624   7.624
  172   1HG   GLU  30           HG2      GLU  30  -0.313   8.879   8.879
  173   2HG   GLU  30           HG1      GLU  30  -1.395   9.272   9.272
  174    H    ARG  31           HN       ARG  31  -2.099   7.587   7.587
  175    HA   ARG  31           HA       ARG  31  -0.030   5.533   5.533
  176   1HB   ARG  31           HB2      ARG  31  -0.704   7.698   7.698
  177   2HB   ARG  31           HB1      ARG  31   0.316   6.292   6.292
  178   1HG   ARG  31           HG2      ARG  31  -1.468   4.846   4.846
  179   2HG   ARG  31           HG1      ARG  31  -2.402   5.765   5.765
  180   1HD   ARG  31           HD2      ARG  31  -3.517   6.058   6.058
  181   2HD   ARG  31           HD1      ARG  31  -2.651   7.564   7.564
  182    HE   ARG  31           HE       ARG  31  -1.309   7.098   7.098
  183   1HH1  ARG  31          HH21      ARG  31  -2.936   4.276   4.276
  184   2HH1  ARG  31          HH22      ARG  31  -2.424   3.285   3.285
  185   1HH2  ARG  31          HH11      ARG  31  -0.636   5.815   5.815
  186   2HH2  ARG  31          HH12      ARG  31  -1.122   4.154   4.154
  187    H    LEU  32           HN       LEU  32   2.152   5.833   5.833
  188    HA   LEU  32           HA       LEU  32   3.124   8.655   8.655
  189   1HB   LEU  32           HB2      LEU  32   3.927   6.315   6.315
  190   2HB   LEU  32           HB1      LEU  32   4.576   7.952   7.952
  191    HG   LEU  32           HG       LEU  32   1.733   8.153   8.153
  192   1HD1  LEU  32          HD11      LEU  32   2.866   5.846   5.846
  193   2HD1  LEU  32          HD13      LEU  32   1.700   6.858   6.858
  194   3HD1  LEU  32          HD12      LEU  32   1.246   6.072   6.072
  195   1HD2  LEU  32          HD23      LEU  32   3.670   9.531   9.531
  196   2HD2  LEU  32          HD22      LEU  32   2.147   9.389   9.389
  197   3HD2  LEU  32          HD21      LEU  32   3.526   8.386   8.386
  198    H    GLN  33           HN       GLN  33   5.258   9.003   9.003
  199    HA   GLN  33           HA       GLN  33   6.175   7.020   7.020
  200   1HB   GLN  33           HB2      GLN  33   6.212   9.629   9.629
  201   2HB   GLN  33           HB1      GLN  33   7.700   9.508   9.508
  202   1HG   GLN  33           HG2      GLN  33   8.688   8.034   8.034
  203   2HG   GLN  33           HG1      GLN  33   7.173   7.974   7.974
  204   1HE2  GLN  33          HE22      GLN  33   8.609  10.593  10.593
  205   2HE2  GLN  33          HE21      GLN  33   8.196   8.946   8.946
  206    H    ILE  34           HN       ILE  34   6.691   5.337   5.337
  207    HA   ILE  34           HA       ILE  34   8.537   5.598   5.598
  208    HB   ILE  34           HB       ILE  34   7.947   3.292   3.292
  209   1HG1  ILE  34          HG12      ILE  34   6.138   3.885   3.885
  210   2HG1  ILE  34          HG11      ILE  34   6.888   2.403   2.403
  211   1HG2  ILE  34          HG22      ILE  34  10.018   3.583   3.583
  212   2HG2  ILE  34          HG21      ILE  34   9.113   2.070   2.070
  213   3HG2  ILE  34          HG23      ILE  34  10.037   2.585   2.585
  214   1HD1  ILE  34          HD13      ILE  34   8.379   4.415   4.415
  215   2HD1  ILE  34          HD12      ILE  34   6.729   5.036   5.036
  216   3HD1  ILE  34          HD11      ILE  34   7.105   3.471   3.471
  217    H    VAL  35           HN       VAL  35  10.827   5.273   5.273
  218    HA   VAL  35           HA       VAL  35  12.198   5.941   5.941
  219    HB   VAL  35           HB       VAL  35  12.964   6.318   6.318
  220   1HG1  VAL  35          HG12      VAL  35  14.645   6.568   6.568
  221   2HG1  VAL  35          HG11      VAL  35  15.064   7.370   7.370
  222   3HG1  VAL  35          HG13      VAL  35  14.993   5.610   5.610
  223   1HG2  VAL  35          HG22      VAL  35  12.034   8.003   8.003
  224   2HG2  VAL  35          HG21      VAL  35  11.805   8.223   8.223
  225   3HG2  VAL  35          HG23      VAL  35  13.329   8.688   8.688
  226    H    ASN  36           HN       ASN  36  13.197   4.208   4.208
  227    HA   ASN  36           HA       ASN  36  13.475   1.647   1.647
  228   1HB   ASN  36           HB2      ASN  36  15.185   2.998   2.998
  229   2HB   ASN  36           HB1      ASN  36  16.128   3.091   3.091
  230   1HD2  ASN  36          HD22      ASN  36  15.482  -0.718  -0.718
  231   2HD2  ASN  36          HD21      ASN  36  14.200   0.396   0.396
  232    H    ASN  37           HN       ASN  37  13.837   0.192   0.192
  233    HA   ASN  37           HA       ASN  37  15.595   0.319   0.319
  234   1HB   ASN  37           HB2      ASN  37  13.320   2.141   2.141
  235   2HB   ASN  37           HB1      ASN  37  13.574   1.029   1.029
  236   1HD2  ASN  37          HD22      ASN  37  16.950   2.300   2.300
  237   2HD2  ASN  37          HD21      ASN  37  16.142   0.811   0.811
  238    H    THR  38           HN       THR  38  14.766  -1.816  -1.816
  239    HA   THR  38           HA       THR  38  12.483  -3.231  -3.231
  240    HB   THR  38           HB       THR  38  13.888  -4.481  -4.481
  241    HG1  THR  38           HG1      THR  38  13.779  -6.217  -6.217
  242   1HG2  THR  38          HG22      THR  38  15.959  -3.127  -3.127
  243   2HG2  THR  38          HG21      THR  38  16.376  -4.795  -4.795
  244   3HG2  THR  38          HG23      THR  38  15.990  -3.659  -3.659
  245    H    GLU  39           HN       GLU  39  15.450  -3.771  -3.771
  246    HA   GLU  39           HA       GLU  39  13.722  -4.329  -4.329
  247   1HB   GLU  39           HB2      GLU  39  16.479  -4.792  -4.792
  248   2HB   GLU  39           HB1      GLU  39  15.193  -5.980  -5.980
  249   1HG   GLU  39           HG2      GLU  39  15.573  -5.922  -5.922
  250   2HG   GLU  39           HG1      GLU  39  16.979  -4.900  -4.900
  251    H    GLY  40           HN       GLY  40  13.763  -2.986  -2.986
  252   1HA   GLY  40           HA2      GLY  40  15.771  -1.390  -1.390
  253   2HA   GLY  40           HA1      GLY  40  15.092  -0.400  -0.400
  254    H    ASP  41           HN       ASP  41  12.401  -1.784  -1.784
  255    HA   ASP  41           HA       ASP  41  10.608  -1.570  -1.570
  256   1HB   ASP  41           HB2      ASP  41  12.327   0.184   0.184
  257   2HB   ASP  41           HB1      ASP  41  10.948  -0.814  -0.814
  258    H    TRP  42           HN       TRP  42  12.648   1.324   1.324
  259    HA   TRP  42           HA       TRP  42  10.119   2.810   2.810
  260   1HB   TRP  42           HB2      TRP  42  12.670   3.770   3.770
  261   2HB   TRP  42           HB1      TRP  42  11.421   4.864   4.864
  262    HD1  TRP  42           HD1      TRP  42  12.065   2.235   2.235
  263    HE1  TRP  42           HE1      TRP  42  10.123   2.421   2.421
  264    HE3  TRP  42           HE3      TRP  42   9.274   5.454   5.454
  265    HZ2  TRP  42           HZ2      TRP  42   7.542   3.842   3.842
  266    HZ3  TRP  42           HZ3      TRP  42   7.106   6.257   6.257
  267    HH2  TRP  42           HH2      TRP  42   6.238   5.448   5.448
  268    H    TRP  43           HN       TRP  43   9.977   3.396   3.396
  269    HA   TRP  43           HA       TRP  43  12.474   3.487   3.487
  270   1HB   TRP  43           HB2      TRP  43   9.579   3.406   3.406
  271   2HB   TRP  43           HB1      TRP  43  10.996   3.270   3.270
  272    HD1  TRP  43           HD1      TRP  43  12.160   1.418   1.418
  273    HE1  TRP  43           HE1      TRP  43  11.660  -1.034  -1.034
  274    HE3  TRP  43           HE3      TRP  43   8.728   1.805   1.805
  275    HZ2  TRP  43           HZ2      TRP  43   9.856  -2.713  -2.713
  276    HZ3  TRP  43           HZ3      TRP  43   7.597  -0.157  -0.157
  277    HH2  TRP  43           HH2      TRP  43   8.160  -2.415  -2.415
  278    H    LEU  44           HN       LEU  44  12.509   5.214   5.214
  279    HA   LEU  44           HA       LEU  44  11.405   7.764   7.764
  280   1HB   LEU  44           HB2      LEU  44  13.853   7.722   7.722
  281   2HB   LEU  44           HB1      LEU  44  13.841   7.255   7.255
  282    HG   LEU  44           HG       LEU  44  12.447   9.771   9.771
  283   1HD1  LEU  44          HD13      LEU  44  15.057   9.438   9.438
  284   2HD1  LEU  44          HD12      LEU  44  15.217   9.968   9.968
  285   3HD1  LEU  44          HD11      LEU  44  14.385  10.990  10.990
  286   1HD2  LEU  44          HD22      LEU  44  13.380   8.511   8.511
  287   2HD2  LEU  44          HD21      LEU  44  11.939   9.480   9.480
  288   3HD2  LEU  44          HD23      LEU  44  13.504  10.268  10.268
  289    H    ALA  45           HN       ALA  45   9.575   8.249   8.249
  290    HA   ALA  45           HA       ALA  45   9.676   7.794   7.794
  291   1HB   ALA  45           HB1      ALA  45   7.925   6.550   6.550
  292   2HB   ALA  45           HB3      ALA  45   7.126   8.117   8.117
  293   3HB   ALA  45           HB2      ALA  45   7.358   7.360   7.360
  294    H    HIS  46           HN       HIS  46   8.036   9.377   9.377
  295    HA   HIS  46           HA       HIS  46   8.273  12.085  12.085
  296   1HB   HIS  46           HB2      HIS  46   9.988  12.118  12.118
  297   2HB   HIS  46           HB1      HIS  46   9.027  11.191  11.191
  298    HD1  HIS  46           HD1      HIS  46   9.237  14.614  14.614
  299    HD2  HIS  46           HD2      HIS  46   7.284  12.677  12.677
  300    HE1  HIS  46           HE1      HIS  46   8.172  16.367  16.367
  301    H    SER  47           HN       SER  47   6.268  12.953  12.953
  302    HA   SER  47           HA       SER  47   3.934  11.756  11.756
  303   1HB   SER  47           HB2      SER  47   4.466  14.404  14.404
  304   2HB   SER  47           HB1      SER  47   2.875  14.015  14.015
  305    HG   SER  47           HG       SER  47   2.749  13.237  13.237
  306    H    LEU  48           HN       LEU  48   2.504  12.729  12.729
  307    HA   LEU  48           HA       LEU  48   4.051  14.283  14.283
  308   1HB   LEU  48           HB2      LEU  48   1.664  12.450  12.450
  309   2HB   LEU  48           HB1      LEU  48   2.537  13.294  13.294
  310    HG   LEU  48           HG       LEU  48   3.576  11.107  11.107
  311   1HD1  LEU  48          HD12      LEU  48   2.527  11.238  11.238
  312   2HD1  LEU  48          HD11      LEU  48   4.216  10.734  10.734
  313   3HD1  LEU  48          HD13      LEU  48   3.053   9.821   9.821
  314   1HD2  LEU  48          HD21      LEU  48   5.032  13.120  13.120
  315   2HD2  LEU  48          HD23      LEU  48   5.407  12.585  12.585
  316   3HD2  LEU  48          HD22      LEU  48   5.714  11.517  11.517
  317    H    THR  49           HN       THR  49   2.387  15.260  15.260
  318    HA   THR  49           HA       THR  49   0.385  16.833  16.833
  319    HB   THR  49           HB       THR  49   0.133  16.848  16.848
  320    HG1  THR  49           HG1      THR  49  -0.745  14.518  14.518
  321   1HG2  THR  49          HG21      THR  49  -1.533  17.807  17.807
  322   2HG2  THR  49          HG23      THR  49  -1.779  16.212  16.212
  323   3HG2  THR  49          HG22      THR  49  -2.232  16.510  16.510
  324    H    THR  50           HN       THR  50   2.230  17.189  17.189
  325    HA   THR  50           HA       THR  50   2.459  20.080  20.080
  326    HB   THR  50           HB       THR  50   3.743  20.019  20.019
  327    HG1  THR  50           HG1      THR  50   3.287  17.815  17.815
  328   1HG2  THR  50          HG21      THR  50   0.975  19.505  19.505
  329   2HG2  THR  50          HG23      THR  50   1.459  18.597  18.597
  330   3HG2  THR  50          HG22      THR  50   1.703  20.342  20.342
  331    H    GLY  51           HN       GLY  51   4.523  17.213  17.213
  332   1HA   GLY  51           HA2      GLY  51   6.438  17.061  17.061
  333   2HA   GLY  51           HA1      GLY  51   6.526  18.822  18.822
  334    H    GLN  52           HN       GLN  52   6.641  16.233  16.233
  335    HA   GLN  52           HA       GLN  52   9.232  17.317  17.317
  336   1HB   GLN  52           HB2      GLN  52   7.096  16.840  16.840
  337   2HB   GLN  52           HB1      GLN  52   8.547  17.836  17.836
  338   1HG   GLN  52           HG2      GLN  52   7.468  19.289  19.289
  339   2HG   GLN  52           HG1      GLN  52   5.973  18.435  18.435
  340   1HE2  GLN  52          HE22      GLN  52   5.565  21.096  21.096
  341   2HE2  GLN  52          HE21      GLN  52   5.108  20.541  20.541
  342    H    THR  53           HN       THR  53  10.391  15.780  15.780
  343    HA   THR  53           HA       THR  53   9.618  13.003  13.003
  344    HB   THR  53           HB       THR  53  12.065  14.414  14.414
  345    HG1  THR  53           HG1      THR  53  11.598  11.654  11.654
  346   1HG2  THR  53          HG22      THR  53  11.704  13.616  13.616
  347   2HG2  THR  53          HG21      THR  53  11.902  11.979  11.979
  348   3HG2  THR  53          HG23      THR  53  13.221  13.141  13.141
  349    H    GLY  54           HN       GLY  54  10.117  11.442  11.442
  350   1HA   GLY  54           HA2      GLY  54   9.637  12.298  12.298
  351   2HA   GLY  54           HA1      GLY  54   8.065  11.958  11.958
  352    H    TYR  55           HN       TYR  55  10.536  10.577  10.577
  353    HA   TYR  55           HA       TYR  55  10.776   7.982   7.982
  354   1HB   TYR  55           HB2      TYR  55  10.813   8.610   8.610
  355   2HB   TYR  55           HB1      TYR  55  11.659   7.314   7.314
  356    HD1  TYR  55           HD2      TYR  55  12.365   9.215   9.215
  357    HD2  TYR  55           HD1      TYR  55  12.927   9.494   9.494
  358    HE1  TYR  55           HE2      TYR  55  14.291  10.690  10.690
  359    HE2  TYR  55           HE1      TYR  55  14.852  10.969  10.969
  360    HH   TYR  55           HH       TYR  55  16.506  11.443  11.443
  361    H    ILE  56           HN       ILE  56   8.680   7.294   7.294
  362    HA   ILE  56           HA       ILE  56   6.490   7.188   7.188
  363    HB   ILE  56           HB       ILE  56   5.308   5.951   5.951
  364   1HG1  ILE  56          HG12      ILE  56   7.076   6.475   6.475
  365   2HG1  ILE  56          HG11      ILE  56   8.032   5.658   5.658
  366   1HG2  ILE  56          HG23      ILE  56   6.028   8.635   8.635
  367   2HG2  ILE  56          HG22      ILE  56   6.419   8.202   8.202
  368   3HG2  ILE  56          HG21      ILE  56   4.782   7.964   7.964
  369   1HD1  ILE  56          HD13      ILE  56   5.550   4.312   4.312
  370   2HD1  ILE  56          HD12      ILE  56   6.019   4.555   4.555
  371   3HD1  ILE  56          HD11      ILE  56   7.104   3.712   3.712
  372    HA   PRO  57           HA       PRO  57   7.617   3.338   3.338
  373   1HB   PRO  57           HB2      PRO  57   4.901   2.632   2.632
  374   2HB   PRO  57           HB1      PRO  57   6.082   3.349   3.349
  375   1HG   PRO  57           HG2      PRO  57   3.770   4.616   4.616
  376   2HG   PRO  57           HG1      PRO  57   4.928   5.316   5.316
  377   1HD   PRO  57           HD1      PRO  57   4.673   5.849   5.849
  378   2HD   PRO  57           HD2      PRO  57   5.822   6.569   6.569
  379    H    SER  58           HN       SER  58   8.096   1.535   1.535
  380    HA   SER  58           HA       SER  58   6.746   0.874   0.874
  381   1HB   SER  58           HB2      SER  58   8.330  -0.801  -0.801
  382   2HB   SER  58           HB1      SER  58   9.156   0.262   0.262
  383    HG   SER  58           HG       SER  58   8.985  -2.073  -2.073
  384    H    ASN  59           HN       ASN  59   6.262  -0.118  -0.118
  385    HA   ASN  59           HA       ASN  59   4.677  -2.457  -2.457
  386   1HB   ASN  59           HB2      ASN  59   4.176  -2.471  -2.471
  387   2HB   ASN  59           HB1      ASN  59   5.834  -1.899  -1.899
  388   1HD2  ASN  59          HD22      ASN  59   3.149   0.446   0.446
  389   2HD2  ASN  59          HD21      ASN  59   2.910  -1.205  -1.205
  390    H    TYR  60           HN       TYR  60   4.061   0.758   0.758
  391    HA   TYR  60           HA       TYR  60   1.115   0.362   0.362
  392   1HB   TYR  60           HB2      TYR  60   2.892   2.716   2.716
  393   2HB   TYR  60           HB1      TYR  60   1.316   3.028   3.028
  394    HD1  TYR  60           HD1      TYR  60   2.201   0.402   0.402
  395    HD2  TYR  60           HD2      TYR  60   0.114   4.042   4.042
  396    HE1  TYR  60           HE1      TYR  60   1.152   0.224   0.224
  397    HE2  TYR  60           HE2      TYR  60  -0.935   3.864   3.864
  398    HH   TYR  60           HH       TYR  60  -0.165   1.180   1.180
  399    H    VAL  61           HN       VAL  61   3.431   0.142   0.142
  400    HA   VAL  61           HA       VAL  61   1.557   1.053   1.053
  401    HB   VAL  61           HB       VAL  61   3.689   2.533   2.533
  402   1HG1  VAL  61          HG13      VAL  61   5.100   0.335   0.335
  403   2HG1  VAL  61          HG12      VAL  61   4.928   0.693   0.693
  404   3HG1  VAL  61          HG11      VAL  61   5.707   1.859   1.859
  405   1HG2  VAL  61          HG22      VAL  61   2.239   1.830   1.830
  406   2HG2  VAL  61          HG21      VAL  61   2.682   3.417   3.417
  407   3HG2  VAL  61          HG23      VAL  61   3.844   2.487   2.487
  408    H    ALA  62           HN       ALA  62   3.098   0.201   0.201
  409    HA   ALA  62           HA       ALA  62   4.306  -2.313  -2.313
  410   1HB   ALA  62           HB2      ALA  62   1.288  -2.454  -2.454
  411   2HB   ALA  62           HB1      ALA  62   2.276  -3.755  -3.755
  412   3HB   ALA  62           HB3      ALA  62   2.422  -3.320  -3.320
  413    HA   PRO  63           HA       PRO  63   4.593  -1.273  -1.273
  414   1HB   PRO  63           HB2      PRO  63   5.114  -3.982  -3.982
  415   2HB   PRO  63           HB1      PRO  63   6.286  -2.681  -2.681
  416   1HG   PRO  63           HG2      PRO  63   5.819  -4.995  -4.995
  417   2HG   PRO  63           HG1      PRO  63   7.011  -3.711  -3.711
  418   1HD   PRO  63           HD1      PRO  63   4.579  -4.161  -4.161
  419   2HD   PRO  63           HD2      PRO  63   5.776  -2.872  -2.872
  420    H    SER  64           HN       SER  64   2.272  -0.881  -0.881
  421    HA   SER  64           HA       SER  64   0.999  -2.402  -2.402
  422   1HB   SER  64           HB2      SER  64   0.788  -4.255  -4.255
  423   2HB   SER  64           HB1      SER  64   0.223  -3.210  -3.210
  424    HG   SER  64           HG       SER  64  -1.107  -4.003  -4.003
  425   1H    ARG  71           HT2      ARG  71  13.872   1.624   1.624
  426   2H    ARG  71           HT1      ARG  71  14.710   1.943   1.943
  427   3H    ARG  71           HT3      ARG  71  14.486   3.178   3.178
  428    HA   ARG  71           HA       ARG  71  12.326   3.537   3.537
  429   1HB   ARG  71           HB2      ARG  71  14.082   3.452   3.452
  430   2HB   ARG  71           HB1      ARG  71  12.873   2.299   2.299
  431   1HG   ARG  71           HG2      ARG  71  11.671   4.090   4.090
  432   2HG   ARG  71           HG1      ARG  71  11.360   4.400   4.400
  433   1HD   ARG  71           HD2      ARG  71  13.673   5.607   5.607
  434   2HD   ARG  71           HD1      ARG  71  13.443   5.633   5.633
  435    HE   ARG  71           HE       ARG  71  11.983   7.244   7.244
  436   1HH1  ARG  71          HH21      ARG  71  11.953   5.699   5.699
  437   2HH1  ARG  71          HH22      ARG  71  10.769   6.771   6.771
  438   1HH2  ARG  71          HH11      ARG  71  10.439   8.647   8.647
  439   2HH2  ARG  71          HH12      ARG  71   9.912   8.438   8.438
  440    H    ALA  72           HN       ALA  72  10.284   2.647   2.647
  441    HA   ALA  72           HA       ALA  72  10.127  -0.319  -0.319
  442   1HB   ALA  72           HB1      ALA  72   8.926   1.551   1.551
  443   2HB   ALA  72           HB3      ALA  72   7.890   0.242   0.242
  444   3HB   ALA  72           HB2      ALA  72   9.433  -0.126  -0.126
  445    H    LEU  73           HN       LEU  73   9.124  -0.835  -0.835
  446    HA   LEU  73           HA       LEU  73   7.698   0.985   0.985
  447   1HB   LEU  73           HB2      LEU  73   7.690  -2.035  -2.035
  448   2HB   LEU  73           HB1      LEU  73   6.776  -1.150  -1.150
  449    HG   LEU  73           HG       LEU  73   9.747  -0.773  -0.773
  450   1HD1  LEU  73          HD12      LEU  73   8.604  -3.074  -3.074
  451   2HD1  LEU  73          HD11      LEU  73   8.818  -2.143  -2.143
  452   3HD1  LEU  73          HD13      LEU  73  10.206  -2.496  -2.496
  453   1HD2  LEU  73          HD23      LEU  73   7.729   0.176   0.176
  454   2HD2  LEU  73          HD22      LEU  73   8.903   1.123   1.123
  455   3HD2  LEU  73          HD21      LEU  73   9.443   0.086   0.086
  456    HA   PRO  74           HA       PRO  74   3.790   1.379   1.379
  457   1HB   PRO  74           HB2      PRO  74   2.380   1.461   1.461
  458   2HB   PRO  74           HB1      PRO  74   2.821   2.814   2.814
  459   1HG   PRO  74           HG2      PRO  74   3.973   2.107   2.107
  460   2HG   PRO  74           HG1      PRO  74   4.430   3.445   3.445
  461   1HD   PRO  74           HD1      PRO  74   5.886   0.997   0.997
  462   2HD   PRO  74           HD2      PRO  74   6.357   2.355   2.355
  463    HA   PRO  75           HA       PRO  75   2.635  -2.940  -2.940
  464   1HB   PRO  75           HB2      PRO  75   0.321  -2.278  -2.278
  465   2HB   PRO  75           HB1      PRO  75   1.813  -3.076  -3.076
  466   1HG   PRO  75           HG2      PRO  75   0.972  -0.386  -0.386
  467   2HG   PRO  75           HG1      PRO  75   2.484  -1.170  -1.170
  468   1HD   PRO  75           HD1      PRO  75   2.102   0.891   0.891
  469   2HD   PRO  75           HD2      PRO  75   3.621   0.114   0.114
  470    H    LEU  76           HN       LEU  76   1.662  -3.724  -3.724
  471    HA   LEU  76           HA       LEU  76  -0.512  -2.327  -2.327
  472   1HB   LEU  76           HB2      LEU  76   0.913  -4.950  -4.950
  473   2HB   LEU  76           HB1      LEU  76  -0.547  -4.573  -4.573
  474    HG   LEU  76           HG       LEU  76   1.799  -2.676  -2.676
  475   1HD1  LEU  76          HD11      LEU  76   1.764  -5.210  -5.210
  476   2HD1  LEU  76          HD13      LEU  76   1.549  -4.021  -4.021
  477   3HD1  LEU  76          HD12      LEU  76   2.952  -3.926  -3.926
  478   1HD2  LEU  76          HD22      LEU  76  -0.797  -2.361  -2.361
  479   2HD2  LEU  76          HD21      LEU  76   0.578  -1.374  -1.374
  480   3HD2  LEU  76          HD23      LEU  76   0.083  -2.755  -2.755
  481    HA   PRO  77           HA       PRO  77  -3.956  -4.316  -4.316
  482   1HB   PRO  77           HB2      PRO  77  -5.494  -4.748  -4.748
  483   2HB   PRO  77           HB1      PRO  77  -5.492  -3.290  -3.290
  484   1HG   PRO  77           HG2      PRO  77  -4.388  -3.653  -3.653
  485   2HG   PRO  77           HG1      PRO  77  -4.546  -2.158  -2.158
  486   1HD   PRO  77           HD1      PRO  77  -2.147  -3.688  -3.688
  487   2HD   PRO  77           HD2      PRO  77  -2.305  -2.182  -2.182
  488    H    ARG  78           HN       ARG  78  -2.124  -6.305  -6.305
  489    HA   ARG  78           HA       ARG  78  -1.692  -8.576  -8.576
  490   1HB   ARG  78           HB2      ARG  78  -4.015  -8.186  -8.186
  491   2HB   ARG  78           HB1      ARG  78  -4.482  -9.364  -9.364
  492   1HG   ARG  78           HG2      ARG  78  -3.567 -10.834 -10.834
  493   2HG   ARG  78           HG1      ARG  78  -2.077 -10.379 -10.379
  494   1HD   ARG  78           HD2      ARG  78  -1.936  -8.460  -8.460
  495   2HD   ARG  78           HD1      ARG  78  -3.140  -9.376  -9.376
  496    HE   ARG  78           HE       ARG  78  -1.452 -10.924 -10.924
  497   1HH1  ARG  78          HH21      ARG  78  -0.556  -8.966  -8.966
  498   2HH1  ARG  78          HH22      ARG  78   1.065  -9.573  -9.573
  499   1HH2  ARG  78          HH11      ARG  78   0.659 -11.721 -11.721
  500   2HH2  ARG  78          HH12      ARG  78   1.751 -11.131 -11.131
  501    H    TYR  79           HN       TYR  79  -1.196  -8.666  -8.666
  502    HA   TYR  79           HA       TYR  79  -3.510  -9.304  -9.304
  503   1HB   TYR  79           HB2      TYR  79  -2.250  -7.185  -7.185
  504   2HB   TYR  79           HB1      TYR  79  -0.820  -8.175  -8.175
  505    HD1  TYR  79           HD2      TYR  79  -0.982 -10.025 -10.025
  506    HD2  TYR  79           HD1      TYR  79  -3.903  -6.956  -6.956
  507    HE1  TYR  79           HE2      TYR  79  -1.761 -10.496 -10.496
  508    HE2  TYR  79           HE1      TYR  79  -4.680  -7.425  -7.425
  509    HH   TYR  79           HH       TYR  79  -3.228 -10.020 -10.020

  Start of MODEL    7
    1   1H    THR   9           HT2      THR   9   5.969   3.289   3.289
    2   2H    THR   9           HT1      THR   9   5.367   2.688   2.688
    3   3H    THR   9           HT3      THR   9   5.810   4.322   4.322
    4    HA   THR   9           HA       THR   9   3.978   4.875   4.875
    5    HB   THR   9           HB       THR   9   2.307   2.949   2.949
    6    HG1  THR   9           HG1      THR   9   3.265   3.490   3.490
    7   1HG2  THR   9          HG23      THR   9   2.053   5.480   5.480
    8   2HG2  THR   9          HG22      THR   9   3.047   5.687   5.687
    9   3HG2  THR   9          HG21      THR   9   1.494   4.858   4.858
   10    H    PHE  10           HN       PHE  10   4.054   4.251   4.251
   11    HA   PHE  10           HA       PHE  10   3.180   1.469   1.469
   12   1HB   PHE  10           HB2      PHE  10   4.871   3.497   3.497
   13   2HB   PHE  10           HB1      PHE  10   3.915   2.404   2.404
   14    HD1  PHE  10           HD2      PHE  10   5.279   1.555   1.555
   15    HD2  PHE  10           HD1      PHE  10   5.729   1.055   1.055
   16    HE1  PHE  10           HE2      PHE  10   6.917  -0.233  -0.233
   17    HE2  PHE  10           HE1      PHE  10   7.368  -0.732  -0.732
   18    HZ   PHE  10           HZ       PHE  10   7.963  -1.377  -1.377
   19    H    VAL  11           HN       VAL  11   1.660   1.279   1.279
   20    HA   VAL  11           HA       VAL  11  -0.161   3.645   3.645
   21    HB   VAL  11           HB       VAL  11  -1.222   0.839   0.839
   22   1HG1  VAL  11          HG11      VAL  11  -2.227   3.575   3.575
   23   2HG1  VAL  11          HG13      VAL  11  -2.942   2.517   2.517
   24   3HG1  VAL  11          HG12      VAL  11  -3.070   2.107   2.107
   25   1HG2  VAL  11          HG23      VAL  11  -0.572   2.388   2.388
   26   2HG2  VAL  11          HG22      VAL  11   0.034   0.798   0.798
   27   3HG2  VAL  11          HG21      VAL  11  -1.668   1.009   1.009
   28    H    ALA  12           HN       ALA  12  -1.121   3.969   3.969
   29    HA   ALA  12           HA       ALA  12   0.342   2.738   2.738
   30   1HB   ALA  12           HB1      ALA  12  -1.644   4.977   4.977
   31   2HB   ALA  12           HB3      ALA  12  -1.326   4.286   4.286
   32   3HB   ALA  12           HB2      ALA  12  -0.013   5.016   5.016
   33    H    LEU  13           HN       LEU  13  -0.337   0.758   0.758
   34    HA   LEU  13           HA       LEU  13  -3.171  -0.014  -0.014
   35   1HB   LEU  13           HB2      LEU  13  -0.848  -1.592  -1.592
   36   2HB   LEU  13           HB1      LEU  13  -2.425  -2.231  -2.231
   37    HG   LEU  13           HG       LEU  13  -1.003  -0.692  -0.692
   38   1HD1  LEU  13          HD11      LEU  13   0.344  -2.774  -2.774
   39   2HD1  LEU  13          HD13      LEU  13  -0.016  -3.351  -3.351
   40   3HD1  LEU  13          HD12      LEU  13   0.913  -1.869  -1.869
   41   1HD2  LEU  13          HD22      LEU  13  -3.233  -2.117  -2.117
   42   2HD2  LEU  13          HD21      LEU  13  -2.150  -2.135  -2.135
   43   3HD2  LEU  13          HD23      LEU  13  -2.118  -3.464  -3.464
   44    H    TYR  14           HN       TYR  14  -1.149   1.386   1.386
   45    HA   TYR  14           HA       TYR  14  -3.235   0.828   0.828
   46   1HB   TYR  14           HB2      TYR  14  -0.237   0.797   0.797
   47   2HB   TYR  14           HB1      TYR  14  -1.418   0.722   0.722
   48    HD1  TYR  14           HD2      TYR  14  -0.740  -0.902  -0.902
   49    HD2  TYR  14           HD1      TYR  14  -2.083  -1.415  -1.415
   50    HE1  TYR  14           HE2      TYR  14  -1.069  -3.288  -3.288
   51    HE2  TYR  14           HE1      TYR  14  -2.385  -3.820  -3.820
   52    HH   TYR  14           HH       TYR  14  -2.062  -5.503  -5.503
   53    H    ASP  15           HN       ASP  15  -3.856   2.625   2.625
   54    HA   ASP  15           HA       ASP  15  -3.095   5.233   5.233
   55   1HB   ASP  15           HB2      ASP  15  -5.295   4.867   4.867
   56   2HB   ASP  15           HB1      ASP  15  -4.564   4.386   4.386
   57    H    TYR  16           HN       TYR  16  -0.920   5.694   5.694
   58    HA   TYR  16           HA       TYR  16   0.455   5.093   5.093
   59   1HB   TYR  16           HB2      TYR  16   1.688   4.998   4.998
   60   2HB   TYR  16           HB1      TYR  16   1.307   6.688   6.688
   61    HD1  TYR  16           HD1      TYR  16   1.926   5.804   5.804
   62    HD2  TYR  16           HD2      TYR  16   3.801   7.078   7.078
   63    HE1  TYR  16           HE1      TYR  16   3.913   6.476   6.476
   64    HE2  TYR  16           HE2      TYR  16   5.791   7.737   7.737
   65    HH   TYR  16           HH       TYR  16   6.762   7.842   7.842
   66    H    GLU  17           HN       GLU  17  -0.690   6.311   6.311
   67    HA   GLU  17           HA       GLU  17  -0.741   9.264   9.264
   68   1HB   GLU  17           HB2      GLU  17  -2.780   7.921   7.921
   69   2HB   GLU  17           HB1      GLU  17  -1.900   7.694   7.694
   70   1HG   GLU  17           HG2      GLU  17  -1.734  10.458  10.458
   71   2HG   GLU  17           HG1      GLU  17  -3.424   9.965   9.965
   72    H    SER  18           HN       SER  18   1.755   8.972   8.972
   73    HA   SER  18           HA       SER  18   2.882   8.306   8.306
   74   1HB   SER  18           HB2      SER  18   3.887   8.991   8.991
   75   2HB   SER  18           HB1      SER  18   4.323  10.383  10.383
   76    HG   SER  18           HG       SER  18   4.707   7.863   7.863
   77    H    ARG  19           HN       ARG  19   4.037   9.999   9.999
   78    HA   ARG  19           HA       ARG  19   2.412  12.501  12.501
   79   1HB   ARG  19           HB2      ARG  19   3.395  10.926  10.926
   80   2HB   ARG  19           HB1      ARG  19   2.274  12.287  12.287
   81   1HG   ARG  19           HG2      ARG  19   0.520  11.009  11.009
   82   2HG   ARG  19           HG1      ARG  19   1.608   9.818   9.818
   83   1HD   ARG  19           HD2      ARG  19   2.214   9.623   9.623
   84   2HD   ARG  19           HD1      ARG  19   0.479   9.936   9.936
   85    HE   ARG  19           HE       ARG  19   1.239   7.873   7.873
   86   1HH1  ARG  19          HH21      ARG  19   0.437   8.642   8.642
   87   2HH1  ARG  19          HH22      ARG  19  -0.122   7.046   7.046
   88   1HH2  ARG  19          HH11      ARG  19   0.512   5.790   5.790
   89   2HH2  ARG  19          HH12      ARG  19  -0.080   5.434   5.434
   90    H    THR  20           HN       THR  20   5.360  11.366  11.366
   91    HA   THR  20           HA       THR  20   6.922  13.189  13.189
   92    HB   THR  20           HB       THR  20   8.034  11.129  11.129
   93    HG1  THR  20           HG1      THR  20   9.708  12.332  12.332
   94   1HG2  THR  20          HG21      THR  20   6.868  11.488  11.488
   95   2HG2  THR  20          HG23      THR  20   8.436  10.684  10.684
   96   3HG2  THR  20          HG22      THR  20   7.060  10.020  10.020
   97    H    GLU  21           HN       GLU  21   8.435  14.752  14.752
   98    HA   GLU  21           HA       GLU  21   7.010  16.207  16.207
   99   1HB   GLU  21           HB2      GLU  21   8.145  17.181  17.181
  100   2HB   GLU  21           HB1      GLU  21   9.596  17.149  17.149
  101   1HG   GLU  21           HG2      GLU  21   8.713  18.670  18.670
  102   2HG   GLU  21           HG1      GLU  21   7.048  18.334  18.334
  103    H    THR  22           HN       THR  22   7.829  14.031  14.031
  104    HA   THR  22           HA       THR  22   9.960  14.998  14.998
  105    HB   THR  22           HB       THR  22  10.307  12.442  12.442
  106    HG1  THR  22           HG1      THR  22  12.140  13.529  13.529
  107   1HG2  THR  22          HG23      THR  22  11.726  13.570  13.570
  108   2HG2  THR  22          HG22      THR  22  12.557  12.491  12.491
  109   3HG2  THR  22          HG21      THR  22  11.126  11.933  11.933
  110    H    ASP  23           HN       ASP  23   9.374  11.570  11.570
  111    HA   ASP  23           HA       ASP  23   8.585  11.176  11.176
  112   1HB   ASP  23           HB2      ASP  23   7.289   9.586   9.586
  113   2HB   ASP  23           HB1      ASP  23   7.850   9.032   9.032
  114    H    LEU  24           HN       LEU  24   6.761  11.720  11.720
  115    HA   LEU  24           HA       LEU  24   4.636  13.185  13.185
  116   1HB   LEU  24           HB2      LEU  24   4.248  12.122  12.122
  117   2HB   LEU  24           HB1      LEU  24   3.850  13.707  13.707
  118    HG   LEU  24           HG       LEU  24   6.526  12.673  12.673
  119   1HD1  LEU  24          HD13      LEU  24   4.893  15.170  15.170
  120   2HD1  LEU  24          HD12      LEU  24   6.494  14.857  14.857
  121   3HD1  LEU  24          HD11      LEU  24   5.137  13.818  13.818
  122   1HD2  LEU  24          HD21      LEU  24   5.962  14.503  14.503
  123   2HD2  LEU  24          HD23      LEU  24   7.475  13.719  13.719
  124   3HD2  LEU  24          HD22      LEU  24   6.990  15.218  15.218
  125    H    SER  25           HN       SER  25   2.321  12.514  12.514
  126    HA   SER  25           HA       SER  25   2.076   9.570   9.570
  127   1HB   SER  25           HB2      SER  25  -0.282  10.970  10.970
  128   2HB   SER  25           HB1      SER  25   0.888  10.140  10.140
  129    HG   SER  25           HG       SER  25   1.246  12.088  12.088
  130    H    PHE  26           HN       PHE  26   0.606   8.411   8.411
  131    HA   PHE  26           HA       PHE  26  -0.978  10.005  10.005
  132   1HB   PHE  26           HB2      PHE  26  -0.560   8.164   8.164
  133   2HB   PHE  26           HB1      PHE  26   0.894   9.055   9.055
  134    HD1  PHE  26           HD1      PHE  26  -0.941   5.889   5.889
  135    HD2  PHE  26           HD2      PHE  26   2.652   7.987   7.987
  136    HE1  PHE  26           HE1      PHE  26   0.110   3.787   3.787
  137    HE2  PHE  26           HE2      PHE  26   3.702   5.882   5.882
  138    HZ   PHE  26           HZ       PHE  26   2.432   3.781   3.781
  139    H    LYS  27           HN       LYS  27  -2.585   8.309   8.309
  140    HA   LYS  27           HA       LYS  27  -3.783   6.666   6.666
  141   1HB   LYS  27           HB2      LYS  27  -4.967   8.827   8.827
  142   2HB   LYS  27           HB1      LYS  27  -5.962   7.382   7.382
  143   1HG   LYS  27           HG2      LYS  27  -4.879   7.888   7.888
  144   2HG   LYS  27           HG1      LYS  27  -5.398   9.457   9.457
  145   1HD   LYS  27           HD2      LYS  27  -7.262   7.178   7.178
  146   2HD   LYS  27           HD1      LYS  27  -7.087   7.750   7.750
  147   1HE   LYS  27           HE2      LYS  27  -7.434  10.113  10.113
  148   2HE   LYS  27           HE1      LYS  27  -7.997   9.304   9.304
  149   1HZ   LYS  27           HZ1      LYS  27  -9.634   8.122   8.122
  150   2HZ   LYS  27           HZ3      LYS  27  -9.105   8.939   8.939
  151   3HZ   LYS  27           HZ2      LYS  27  -9.837   9.804   9.804
  152    H    LYS  28           HN       LYS  28  -5.658   5.262   5.262
  153    HA   LYS  28           HA       LYS  28  -4.221   3.576   3.576
  154   1HB   LYS  28           HB2      LYS  28  -5.614   2.449   2.449
  155   2HB   LYS  28           HB1      LYS  28  -7.002   3.461   3.461
  156   1HG   LYS  28           HG2      LYS  28  -7.209   2.456   2.456
  157   2HG   LYS  28           HG1      LYS  28  -5.652   1.643   1.643
  158   1HD   LYS  28           HD2      LYS  28  -7.023  -0.111  -0.111
  159   2HD   LYS  28           HD1      LYS  28  -6.848   0.642   0.642
  160   1HE   LYS  28           HE2      LYS  28  -9.141   0.579   0.579
  161   2HE   LYS  28           HE1      LYS  28  -8.923   2.087   2.087
  162   1HZ   LYS  28           HZ3      LYS  28  -8.865   0.708   0.708
  163   2HZ   LYS  28           HZ2      LYS  28  -9.345  -0.623  -0.623
  164   3HZ   LYS  28           HZ1      LYS  28 -10.364   0.727   0.727
  165    H    GLY  29           HN       GLY  29  -3.996   5.095   5.095
  166   1HA   GLY  29           HA2      GLY  29  -5.700   4.797   4.797
  167   2HA   GLY  29           HA1      GLY  29  -6.377   6.181   6.181
  168    H    GLU  30           HN       GLU  30  -3.763   7.119   7.119
  169    HA   GLU  30           HA       GLU  30  -3.044   8.758   8.758
  170   1HB   GLU  30           HB2      GLU  30  -2.762   9.586   9.586
  171   2HB   GLU  30           HB1      GLU  30  -1.625   8.287   8.287
  172   1HG   GLU  30           HG2      GLU  30   0.063   9.532   9.532
  173   2HG   GLU  30           HG1      GLU  30  -0.748   9.613   9.613
  174    H    ARG  31           HN       ARG  31  -1.168   8.643   8.643
  175    HA   ARG  31           HA       ARG  31   0.181   5.978   5.978
  176   1HB   ARG  31           HB2      ARG  31  -0.718   7.806   7.806
  177   2HB   ARG  31           HB1      ARG  31   0.849   7.042   7.042
  178   1HG   ARG  31           HG2      ARG  31  -0.525   4.894   4.894
  179   2HG   ARG  31           HG1      ARG  31  -1.860   5.811   5.811
  180   1HD   ARG  31           HD2      ARG  31   0.583   5.722   5.722
  181   2HD   ARG  31           HD1      ARG  31  -0.214   4.164   4.164
  182    HE   ARG  31           HE       ARG  31  -2.078   6.281   6.281
  183   1HH1  ARG  31          HH21      ARG  31   0.219   3.957   3.957
  184   2HH1  ARG  31          HH22      ARG  31  -0.491   3.821   3.821
  185   1HH2  ARG  31          HH11      ARG  31  -3.010   6.112   6.112
  186   2HH2  ARG  31          HH12      ARG  31  -2.317   5.039   5.039
  187    H    LEU  32           HN       LEU  32   2.416   5.893   5.893
  188    HA   LEU  32           HA       LEU  32   3.827   8.527   8.527
  189   1HB   LEU  32           HB2      LEU  32   4.323   5.980   5.980
  190   2HB   LEU  32           HB1      LEU  32   5.331   7.425   7.425
  191    HG   LEU  32           HG       LEU  32   2.795   8.447   8.447
  192   1HD1  LEU  32          HD12      LEU  32   3.011   5.700   5.700
  193   2HD1  LEU  32          HD11      LEU  32   1.925   6.943   6.943
  194   3HD1  LEU  32          HD13      LEU  32   1.713   6.327   6.327
  195   1HD2  LEU  32          HD21      LEU  32   5.107   7.705   7.705
  196   2HD2  LEU  32          HD23      LEU  32   4.400   9.290   9.290
  197   3HD2  LEU  32          HD22      LEU  32   3.608   8.175   8.175
  198    H    GLN  33           HN       GLN  33   5.792   8.680   8.680
  199    HA   GLN  33           HA       GLN  33   6.356   6.493   6.493
  200   1HB   GLN  33           HB2      GLN  33   6.273   9.025   9.025
  201   2HB   GLN  33           HB1      GLN  33   7.870   9.095   9.095
  202   1HG   GLN  33           HG2      GLN  33   8.856   7.873   7.873
  203   2HG   GLN  33           HG1      GLN  33   7.405   6.917   6.917
  204   1HE2  GLN  33          HE22      GLN  33   7.396  10.705  10.705
  205   2HE2  GLN  33          HE21      GLN  33   8.005  10.482  10.482
  206    H    ILE  34           HN       ILE  34   7.530   4.884   4.884
  207    HA   ILE  34           HA       ILE  34   9.319   5.110   5.110
  208    HB   ILE  34           HB       ILE  34   9.604   3.230   3.230
  209   1HG1  ILE  34          HG12      ILE  34   7.361   3.012   3.012
  210   2HG1  ILE  34          HG11      ILE  34   8.267   1.693   1.693
  211   1HG2  ILE  34          HG23      ILE  34  10.578   3.169   3.169
  212   2HG2  ILE  34          HG22      ILE  34  10.542   1.737   1.737
  213   3HG2  ILE  34          HG21      ILE  34  11.553   3.113   3.113
  214   1HD1  ILE  34          HD13      ILE  34   8.558   3.057   3.057
  215   2HD1  ILE  34          HD12      ILE  34   7.620   4.354   4.354
  216   3HD1  ILE  34          HD11      ILE  34   6.852   2.810   2.810
  217    H    VAL  35           HN       VAL  35  11.623   5.371   5.371
  218    HA   VAL  35           HA       VAL  35  12.789   6.685   6.685
  219    HB   VAL  35           HB       VAL  35  13.253   7.228   7.228
  220   1HG1  VAL  35          HG12      VAL  35  15.020   7.566   7.566
  221   2HG1  VAL  35          HG11      VAL  35  14.653   9.110   9.110
  222   3HG1  VAL  35          HG13      VAL  35  15.360   7.801   7.801
  223   1HG2  VAL  35          HG21      VAL  35  11.559   8.348   8.348
  224   2HG2  VAL  35          HG23      VAL  35  11.735   8.865   8.865
  225   3HG2  VAL  35          HG22      VAL  35  12.780   9.546   9.546
  226    H    ASN  36           HN       ASN  36  13.379   4.447   4.447
  227    HA   ASN  36           HA       ASN  36  15.652   3.359   3.359
  228   1HB   ASN  36           HB2      ASN  36  16.676   4.900   4.900
  229   2HB   ASN  36           HB1      ASN  36  15.822   4.115   4.115
  230   1HD2  ASN  36          HD22      ASN  36  18.935   2.327   2.327
  231   2HD2  ASN  36          HD21      ASN  36  18.101   3.676   3.676
  232    H    ASN  37           HN       ASN  37  13.970   2.872   2.872
  233    HA   ASN  37           HA       ASN  37  13.214   0.919   0.919
  234   1HB   ASN  37           HB2      ASN  37  11.742  -0.383  -0.383
  235   2HB   ASN  37           HB1      ASN  37  11.755   1.143   1.143
  236   1HD2  ASN  37          HD22      ASN  37  13.110  -0.280  -0.280
  237   2HD2  ASN  37          HD21      ASN  37  12.485   1.103   1.103
  238    H    THR  38           HN       THR  38  14.670  -0.345  -0.345
  239    HA   THR  38           HA       THR  38  15.792  -2.661  -2.661
  240    HB   THR  38           HB       THR  38  17.123  -1.001  -1.001
  241    HG1  THR  38           HG1      THR  38  18.900  -2.175  -2.175
  242   1HG2  THR  38          HG22      THR  38  17.319   0.240   0.240
  243   2HG2  THR  38          HG21      THR  38  18.948  -0.205  -0.205
  244   3HG2  THR  38          HG23      THR  38  17.947   0.819   0.819
  245    H    GLU  39           HN       GLU  39  15.964  -0.153  -0.153
  246    HA   GLU  39           HA       GLU  39  17.692  -1.316  -1.316
  247   1HB   GLU  39           HB2      GLU  39  15.383   0.530   0.530
  248   2HB   GLU  39           HB1      GLU  39  15.746  -0.310  -0.310
  249   1HG   GLU  39           HG2      GLU  39  17.035   1.730   1.730
  250   2HG   GLU  39           HG1      GLU  39  18.157   0.400   0.400
  251    H    GLY  40           HN       GLY  40  14.322  -1.434  -1.434
  252   1HA   GLY  40           HA2      GLY  40  14.033  -4.298  -4.298
  253   2HA   GLY  40           HA1      GLY  40  14.483  -3.861  -3.861
  254    H    ASP  41           HN       ASP  41  13.043  -1.326  -1.326
  255    HA   ASP  41           HA       ASP  41  10.242  -1.956  -1.956
  256   1HB   ASP  41           HB2      ASP  41  11.326  -1.978  -1.978
  257   2HB   ASP  41           HB1      ASP  41   9.644  -1.552  -1.552
  258    H    TRP  42           HN       TRP  42  12.208   0.170   0.170
  259    HA   TRP  42           HA       TRP  42  10.474   2.446   2.446
  260   1HB   TRP  42           HB2      TRP  42  13.253   2.244   2.244
  261   2HB   TRP  42           HB1      TRP  42  12.386   3.771   3.771
  262    HD1  TRP  42           HD1      TRP  42  12.641   0.751   0.751
  263    HE1  TRP  42           HE1      TRP  42  10.844   0.989   0.989
  264    HE3  TRP  42           HE3      TRP  42  10.096   4.506   4.506
  265    HZ2  TRP  42           HZ2      TRP  42   8.467   2.659   2.659
  266    HZ3  TRP  42           HZ3      TRP  42   8.087   5.447   5.447
  267    HH2  TRP  42           HH2      TRP  42   7.274   4.528   4.528
  268    H    TRP  43           HN       TRP  43  10.393   3.414   3.414
  269    HA   TRP  43           HA       TRP  43  12.949   3.641   3.641
  270   1HB   TRP  43           HB2      TRP  43  10.199   3.416   3.416
  271   2HB   TRP  43           HB1      TRP  43  11.758   3.310   3.310
  272    HD1  TRP  43           HD1      TRP  43  13.116   1.284   1.284
  273    HE1  TRP  43           HE1      TRP  43  12.359  -1.118  -1.118
  274    HE3  TRP  43           HE3      TRP  43   8.862   1.998   1.998
  275    HZ2  TRP  43           HZ2      TRP  43  10.081  -2.630  -2.630
  276    HZ3  TRP  43           HZ3      TRP  43   7.379   0.142   0.142
  277    HH2  TRP  43           HH2      TRP  43   7.985  -2.172  -2.172
  278    H    LEU  44           HN       LEU  44  12.995   5.537   5.537
  279    HA   LEU  44           HA       LEU  44  11.561   7.829   7.829
  280   1HB   LEU  44           HB2      LEU  44  13.973   8.112   8.112
  281   2HB   LEU  44           HB1      LEU  44  13.964   7.681   7.681
  282    HG   LEU  44           HG       LEU  44  12.309   9.995   9.995
  283   1HD1  LEU  44          HD13      LEU  44  14.741  10.192  10.192
  284   2HD1  LEU  44          HD12      LEU  44  15.172  10.242  10.242
  285   3HD1  LEU  44          HD11      LEU  44  14.146  11.500  11.500
  286   1HD2  LEU  44          HD21      LEU  44  13.261   8.870   8.870
  287   2HD2  LEU  44          HD23      LEU  44  11.795   9.782   9.782
  288   3HD2  LEU  44          HD22      LEU  44  13.324  10.629  10.629
  289    H    ALA  45           HN       ALA  45   9.590   8.045   8.045
  290    HA   ALA  45           HA       ALA  45   9.614   7.787   7.787
  291   1HB   ALA  45           HB3      ALA  45   8.046   6.304   6.304
  292   2HB   ALA  45           HB2      ALA  45   7.198   7.761   7.761
  293   3HB   ALA  45           HB1      ALA  45   7.243   7.332   7.332
  294    H    HIS  46           HN       HIS  46   8.711   9.448   9.448
  295    HA   HIS  46           HA       HIS  46   8.376  12.047  12.047
  296   1HB   HIS  46           HB2      HIS  46  10.092  12.443  12.443
  297   2HB   HIS  46           HB1      HIS  46   9.494  11.257  11.257
  298    HD1  HIS  46           HD1      HIS  46   9.342  14.794  14.794
  299    HD2  HIS  46           HD2      HIS  46   7.198  12.175  12.175
  300    HE1  HIS  46           HE1      HIS  46   8.015  16.174  16.174
  301    H    SER  47           HN       SER  47   6.353  12.931  12.931
  302    HA   SER  47           HA       SER  47   4.194  11.548  11.548
  303   1HB   SER  47           HB2      SER  47   4.177  14.067  14.067
  304   2HB   SER  47           HB1      SER  47   2.742  13.229  13.229
  305    HG   SER  47           HG       SER  47   4.613  12.444  12.444
  306    H    LEU  48           HN       LEU  48   3.049  12.333  12.333
  307    HA   LEU  48           HA       LEU  48   4.418  14.389  14.389
  308   1HB   LEU  48           HB2      LEU  48   1.839  12.971  12.971
  309   2HB   LEU  48           HB1      LEU  48   3.005  13.701  13.701
  310    HG   LEU  48           HG       LEU  48   3.701  11.386  11.386
  311   1HD1  LEU  48          HD12      LEU  48   1.875  11.241  11.241
  312   2HD1  LEU  48          HD11      LEU  48   3.388  10.845  10.845
  313   3HD1  LEU  48          HD13      LEU  48   2.859   9.893   9.893
  314   1HD2  LEU  48          HD21      LEU  48   5.194  13.128  13.128
  315   2HD2  LEU  48          HD23      LEU  48   5.775  11.712  11.712
  316   3HD2  LEU  48          HD22      LEU  48   5.168  11.543  11.543
  317    H    THR  49           HN       THR  49   1.883  14.291  14.291
  318    HA   THR  49           HA       THR  49  -0.004  16.135  16.135
  319    HB   THR  49           HB       THR  49   1.211  15.873  15.873
  320    HG1  THR  49           HG1      THR  49  -1.357  15.066  15.066
  321   1HG2  THR  49          HG22      THR  49  -0.552  17.878  17.878
  322   2HG2  THR  49          HG21      THR  49  -1.444  16.876  16.876
  323   3HG2  THR  49          HG23      THR  49   0.034  17.693  17.693
  324    H    THR  50           HN       THR  50   2.122  17.486  17.486
  325    HA   THR  50           HA       THR  50   2.369  19.932  19.932
  326    HB   THR  50           HB       THR  50   1.771  20.184  20.184
  327    HG1  THR  50           HG1      THR  50   2.909  21.918  21.918
  328   1HG2  THR  50          HG21      THR  50   3.825  18.181  18.181
  329   2HG2  THR  50          HG23      THR  50   4.194  19.577  19.577
  330   3HG2  THR  50          HG22      THR  50   2.648  18.747  18.747
  331    H    GLY  51           HN       GLY  51   4.260  17.183  17.183
  332   1HA   GLY  51           HA2      GLY  51   6.296  16.617  16.617
  333   2HA   GLY  51           HA1      GLY  51   6.569  18.337  18.337
  334    H    GLN  52           HN       GLN  52   6.168  16.121  16.121
  335    HA   GLN  52           HA       GLN  52   8.520  17.488  17.488
  336   1HB   GLN  52           HB2      GLN  52   5.995  16.572  16.572
  337   2HB   GLN  52           HB1      GLN  52   7.416  17.258  17.258
  338   1HG   GLN  52           HG2      GLN  52   5.903  18.714  18.714
  339   2HG   GLN  52           HG1      GLN  52   5.509  18.893  18.893
  340   1HE2  GLN  52          HE22      GLN  52   8.359  20.887  20.887
  341   2HE2  GLN  52          HE21      GLN  52   7.058  20.012  20.012
  342    H    THR  53           HN       THR  53   8.925  15.933  15.933
  343    HA   THR  53           HA       THR  53   9.825  13.417  13.417
  344    HB   THR  53           HB       THR  53   9.948  14.098  14.098
  345    HG1  THR  53           HG1      THR  53  11.799  15.278  15.278
  346   1HG2  THR  53          HG23      THR  53  11.427  12.355  12.355
  347   2HG2  THR  53          HG22      THR  53  12.286  12.990  12.990
  348   3HG2  THR  53          HG21      THR  53  10.855  11.985  11.985
  349    H    GLY  54           HN       GLY  54   9.449  11.384  11.384
  350   1HA   GLY  54           HA2      GLY  54   6.852  11.315  11.315
  351   2HA   GLY  54           HA1      GLY  54   6.838  10.511  10.511
  352    H    TYR  55           HN       TYR  55   8.927  10.592  10.592
  353    HA   TYR  55           HA       TYR  55  10.059   8.015   8.015
  354   1HB   TYR  55           HB2      TYR  55   9.535   9.500   9.500
  355   2HB   TYR  55           HB1      TYR  55  10.574   8.090   8.090
  356    HD1  TYR  55           HD2      TYR  55  11.037   9.601   9.601
  357    HD2  TYR  55           HD1      TYR  55  11.934  10.323  10.323
  358    HE1  TYR  55           HE2      TYR  55  12.895  11.054  11.054
  359    HE2  TYR  55           HE1      TYR  55  13.791  11.776  11.776
  360    HH   TYR  55           HH       TYR  55  14.624  13.002  13.002
  361    H    ILE  56           HN       ILE  56   8.481   6.468   6.468
  362    HA   ILE  56           HA       ILE  56   6.351   6.032   6.032
  363    HB   ILE  56           HB       ILE  56   5.058   4.938   4.938
  364   1HG1  ILE  56          HG12      ILE  56   7.342   5.646   5.646
  365   2HG1  ILE  56          HG11      ILE  56   7.113   4.037   4.037
  366   1HG2  ILE  56          HG22      ILE  56   5.408   7.585   7.585
  367   2HG2  ILE  56          HG21      ILE  56   6.052   7.392   7.392
  368   3HG2  ILE  56          HG23      ILE  56   4.397   6.899   6.899
  369   1HD1  ILE  56          HD12      ILE  56   4.637   4.409   4.409
  370   2HD1  ILE  56          HD11      ILE  56   5.495   5.475   5.475
  371   3HD1  ILE  56          HD13      ILE  56   5.927   3.767   3.767
  372    HA   PRO  57           HA       PRO  57   8.316   2.245   2.245
  373   1HB   PRO  57           HB2      PRO  57   5.880   1.046   1.046
  374   2HB   PRO  57           HB1      PRO  57   7.092   1.862   1.862
  375   1HG   PRO  57           HG2      PRO  57   4.441   2.798   2.798
  376   2HG   PRO  57           HG1      PRO  57   5.627   3.582   3.582
  377   1HD   PRO  57           HD1      PRO  57   4.866   4.328   4.328
  378   2HD   PRO  57           HD2      PRO  57   6.043   5.127   5.127
  379    H    SER  58           HN       SER  58   8.224  -0.073  -0.073
  380    HA   SER  58           HA       SER  58   7.095  -0.379  -0.379
  381   1HB   SER  58           HB2      SER  58   8.628  -2.044  -2.044
  382   2HB   SER  58           HB1      SER  58   9.370  -1.304  -1.304
  383    HG   SER  58           HG       SER  58   8.246  -3.730  -3.730
  384    H    ASN  59           HN       ASN  59   6.420  -1.512  -1.512
  385    HA   ASN  59           HA       ASN  59   4.580  -3.602  -3.602
  386   1HB   ASN  59           HB2      ASN  59   5.799  -3.450  -3.450
  387   2HB   ASN  59           HB1      ASN  59   4.625  -2.212  -2.212
  388   1HD2  ASN  59          HD22      ASN  59   2.987  -5.215  -5.215
  389   2HD2  ASN  59          HD21      ASN  59   4.165  -4.083  -4.083
  390    H    TYR  60           HN       TYR  60   4.311  -0.353  -0.353
  391    HA   TYR  60           HA       TYR  60   1.354  -0.435  -0.435
  392   1HB   TYR  60           HB2      TYR  60   3.353   1.794   1.794
  393   2HB   TYR  60           HB1      TYR  60   1.657   2.155   2.155
  394    HD1  TYR  60           HD1      TYR  60   3.603  -0.194  -0.194
  395    HD2  TYR  60           HD2      TYR  60   0.330   2.504   2.504
  396    HE1  TYR  60           HE1      TYR  60   3.075  -0.573  -0.573
  397    HE2  TYR  60           HE2      TYR  60  -0.192   2.135   2.135
  398    HH   TYR  60           HH       TYR  60   0.155   0.631   0.631
  399    H    VAL  61           HN       VAL  61   3.648  -0.599  -0.599
  400    HA   VAL  61           HA       VAL  61   1.725   0.476   0.476
  401    HB   VAL  61           HB       VAL  61   3.208   2.305   2.305
  402   1HG1  VAL  61          HG12      VAL  61   5.043   0.296   0.296
  403   2HG1  VAL  61          HG11      VAL  61   5.804   1.220   1.220
  404   3HG1  VAL  61          HG13      VAL  61   5.178   2.050   2.050
  405   1HG2  VAL  61          HG22      VAL  61   2.903   1.500   1.500
  406   2HG2  VAL  61          HG21      VAL  61   4.485   2.249   2.249
  407   3HG2  VAL  61          HG23      VAL  61   4.342   0.493   0.493
  408    H    ALA  62           HN       ALA  62   2.332  -0.276  -0.276
  409    HA   ALA  62           HA       ALA  62   4.058  -2.660  -2.660
  410   1HB   ALA  62           HB1      ALA  62   1.070  -2.816  -2.816
  411   2HB   ALA  62           HB3      ALA  62   2.225  -4.096  -4.096
  412   3HB   ALA  62           HB2      ALA  62   1.946  -3.617  -3.617
  413    HA   PRO  63           HA       PRO  63   4.739  -1.339  -1.339
  414   1HB   PRO  63           HB2      PRO  63   4.552  -3.954  -3.954
  415   2HB   PRO  63           HB1      PRO  63   6.013  -3.054  -3.054
  416   1HG   PRO  63           HG2      PRO  63   4.912  -5.366  -5.366
  417   2HG   PRO  63           HG1      PRO  63   6.378  -4.472  -4.472
  418   1HD   PRO  63           HD1      PRO  63   3.859  -4.487  -4.487
  419   2HD   PRO  63           HD2      PRO  63   5.328  -3.579  -3.579
  420    H    SER  64           HN       SER  64   3.582  -0.931  -0.931
  421    HA   SER  64           HA       SER  64   1.103  -2.345  -2.345
  422   1HB   SER  64           HB2      SER  64  -0.405  -0.451  -0.451
  423   2HB   SER  64           HB1      SER  64   0.399  -0.837  -0.837
  424    HG   SER  64           HG       SER  64   0.344   1.470   1.470
  425   1H    ARG  71           HT1      ARG  71  13.640   2.734   2.734
  426   2H    ARG  71           HT3      ARG  71  14.762   2.242   2.242
  427   3H    ARG  71           HT2      ARG  71  14.565   3.892   3.892
  428    HA   ARG  71           HA       ARG  71  12.444   3.974   3.974
  429   1HB   ARG  71           HB2      ARG  71  14.749   3.135   3.135
  430   2HB   ARG  71           HB1      ARG  71  13.392   2.229   2.229
  431   1HG   ARG  71           HG2      ARG  71  13.194   4.156   4.156
  432   2HG   ARG  71           HG1      ARG  71  12.221   4.632   4.632
  433   1HD   ARG  71           HD2      ARG  71  14.060   5.840   5.840
  434   2HD   ARG  71           HD1      ARG  71  15.193   5.174   5.174
  435    HE   ARG  71           HE       ARG  71  14.457   6.797   6.797
  436   1HH1  ARG  71          HH21      ARG  71  12.293   6.470   6.470
  437   2HH1  ARG  71          HH22      ARG  71  11.325   7.833   7.833
  438   1HH2  ARG  71          HH11      ARG  71  13.201   8.573   8.573
  439   2HH2  ARG  71          HH12      ARG  71  11.839   9.024   9.024
  440    H    ALA  72           HN       ALA  72  11.251   2.528   2.528
  441    HA   ALA  72           HA       ALA  72  10.862  -0.264  -0.264
  442   1HB   ALA  72           HB1      ALA  72  10.752   0.532   0.532
  443   2HB   ALA  72           HB3      ALA  72   9.259   1.377   1.377
  444   3HB   ALA  72           HB2      ALA  72   9.333  -0.382  -0.382
  445    H    LEU  73           HN       LEU  73   9.053  -1.094  -1.094
  446    HA   LEU  73           HA       LEU  73   7.671   0.625   0.625
  447   1HB   LEU  73           HB2      LEU  73   6.809  -2.129  -2.129
  448   2HB   LEU  73           HB1      LEU  73   6.336  -1.328  -1.328
  449    HG   LEU  73           HG       LEU  73   9.094  -2.303  -2.303
  450   1HD1  LEU  73          HD12      LEU  73   7.040  -3.613  -3.613
  451   2HD1  LEU  73          HD11      LEU  73   7.886  -2.918  -2.918
  452   3HD1  LEU  73          HD13      LEU  73   8.745  -3.976  -3.976
  453   1HD2  LEU  73          HD23      LEU  73   9.219  -0.055  -0.055
  454   2HD2  LEU  73          HD22      LEU  73   9.882  -1.308  -1.308
  455   3HD2  LEU  73          HD21      LEU  73   8.273  -0.658  -0.658
  456    HA   PRO  74           HA       PRO  74   4.492   2.308   2.308
  457   1HB   PRO  74           HB2      PRO  74   2.605   2.421   2.421
  458   2HB   PRO  74           HB1      PRO  74   3.643   3.724   3.724
  459   1HG   PRO  74           HG2      PRO  74   3.864   2.227   2.227
  460   2HG   PRO  74           HG1      PRO  74   4.852   3.588   3.588
  461   1HD   PRO  74           HD1      PRO  74   5.601   0.809   0.809
  462   2HD   PRO  74           HD2      PRO  74   6.580   2.171   2.171
  463    HA   PRO  75           HA       PRO  75   2.001  -1.111  -1.111
  464   1HB   PRO  75           HB2      PRO  75  -0.156   0.557   0.557
  465   2HB   PRO  75           HB1      PRO  75   1.100  -0.220  -0.220
  466   1HG   PRO  75           HG2      PRO  75   0.834   2.588   2.588
  467   2HG   PRO  75           HG1      PRO  75   2.077   1.813   1.813
  468   1HD   PRO  75           HD1      PRO  75   2.355   2.905   2.905
  469   2HD   PRO  75           HD2      PRO  75   3.601   2.118   2.118
  470    H    LEU  76           HN       LEU  76   0.967  -2.267  -2.267
  471    HA   LEU  76           HA       LEU  76  -0.349  -1.360  -1.360
  472   1HB   LEU  76           HB2      LEU  76  -0.730  -3.811  -3.811
  473   2HB   LEU  76           HB1      LEU  76  -1.820  -3.517  -3.517
  474    HG   LEU  76           HG       LEU  76   1.198  -3.477  -3.477
  475   1HD1  LEU  76          HD12      LEU  76  -0.793  -5.712  -5.712
  476   2HD1  LEU  76          HD11      LEU  76   0.855  -5.722  -5.722
  477   3HD1  LEU  76          HD13      LEU  76   0.574  -5.723  -5.723
  478   1HD2  LEU  76          HD21      LEU  76  -1.114  -3.499  -3.499
  479   2HD2  LEU  76          HD23      LEU  76   0.121  -2.254  -2.254
  480   3HD2  LEU  76          HD22      LEU  76   0.552  -3.829  -3.829
  481    HA   PRO  77           HA       PRO  77  -3.997   0.728   0.728
  482   1HB   PRO  77           HB2      PRO  77  -5.587  -0.386  -0.386
  483   2HB   PRO  77           HB1      PRO  77  -4.810   1.201   1.201
  484   1HG   PRO  77           HG2      PRO  77  -4.039  -1.106  -1.106
  485   2HG   PRO  77           HG1      PRO  77  -3.287   0.494   0.494
  486   1HD   PRO  77           HD1      PRO  77  -2.256  -1.953  -1.953
  487   2HD   PRO  77           HD2      PRO  77  -1.519  -0.340  -0.340
  488    H    ARG  78           HN       ARG  78  -6.313   0.257   0.257
  489    HA   ARG  78           HA       ARG  78  -6.466  -2.281  -2.281
  490   1HB   ARG  78           HB2      ARG  78  -7.566   0.191   0.191
  491   2HB   ARG  78           HB1      ARG  78  -8.938  -0.686  -0.686
  492   1HG   ARG  78           HG2      ARG  78  -8.878  -0.911  -0.911
  493   2HG   ARG  78           HG1      ARG  78  -8.626  -2.471  -2.471
  494   1HD   ARG  78           HD2      ARG  78  -7.036  -1.861  -1.861
  495   2HD   ARG  78           HD1      ARG  78  -6.294  -2.441  -2.441
  496    HE   ARG  78           HE       ARG  78  -6.557   0.466   0.466
  497   1HH1  ARG  78          HH21      ARG  78  -4.685  -2.313  -2.313
  498   2HH1  ARG  78          HH22      ARG  78  -3.191  -1.441  -1.441
  499   1HH2  ARG  78          HH11      ARG  78  -4.617   1.611   1.611
  500   2HH2  ARG  78          HH12      ARG  78  -3.151   0.777   0.777
  501    H    TYR  79           HN       TYR  79  -8.278  -3.817  -3.817
  502    HA   TYR  79           HA       TYR  79  -8.696  -4.388  -4.388
  503   1HB   TYR  79           HB2      TYR  79  -9.466  -5.758  -5.758
  504   2HB   TYR  79           HB1      TYR  79 -10.119  -6.300  -6.300
  505    HD1  TYR  79           HD1      TYR  79  -8.301  -6.614  -6.614
  506    HD2  TYR  79           HD2      TYR  79  -7.411  -6.649  -6.649
  507    HE1  TYR  79           HE1      TYR  79  -6.219  -7.827  -7.827
  508    HE2  TYR  79           HE2      TYR  79  -5.330  -7.861  -7.861
  509    HH   TYR  79           HH       TYR  79  -4.324  -9.237  -9.237

  Start of MODEL    8
    1   1H    THR   9           HT3      THR   9   5.447   2.211   2.211
    2   2H    THR   9           HT2      THR   9   5.715   3.714   3.714
    3   3H    THR   9           HT1      THR   9   6.108   3.495   3.495
    4    HA   THR   9           HA       THR   9   4.105   4.689   4.689
    5    HB   THR   9           HB       THR   9   2.821   2.611   2.611
    6    HG1  THR   9           HG1      THR   9   3.811   5.038   5.038
    7   1HG2  THR   9          HG23      THR   9   2.030   5.023   5.023
    8   2HG2  THR   9          HG22      THR   9   1.870   5.255   5.255
    9   3HG2  THR   9          HG21      THR   9   1.037   3.916   3.916
   10    H    PHE  10           HN       PHE  10   4.708   3.535   3.535
   11    HA   PHE  10           HA       PHE  10   3.375   0.987   0.987
   12   1HB   PHE  10           HB2      PHE  10   4.978   2.942   2.942
   13   2HB   PHE  10           HB1      PHE  10   4.066   1.659   1.659
   14    HD1  PHE  10           HD1      PHE  10   5.696   1.453   1.453
   15    HD2  PHE  10           HD2      PHE  10   5.871   0.252   0.252
   16    HE1  PHE  10           HE1      PHE  10   7.474  -0.151  -0.151
   17    HE2  PHE  10           HE2      PHE  10   7.645  -1.352  -1.352
   18    HZ   PHE  10           HZ       PHE  10   8.450  -1.554  -1.554
   19    H    VAL  11           HN       VAL  11   1.993   1.027   1.027
   20    HA   VAL  11           HA       VAL  11   0.108   3.342   3.342
   21    HB   VAL  11           HB       VAL  11  -0.651   0.411   0.411
   22   1HG1  VAL  11          HG12      VAL  11  -1.988   2.673   2.673
   23   2HG1  VAL  11          HG11      VAL  11  -2.771   2.322   2.322
   24   3HG1  VAL  11          HG13      VAL  11  -2.695   1.084   1.084
   25   1HG2  VAL  11          HG23      VAL  11   0.067   1.144   1.144
   26   2HG2  VAL  11          HG22      VAL  11  -1.651   0.747   0.747
   27   3HG2  VAL  11          HG21      VAL  11  -1.134   2.434   2.434
   28    H    ALA  12           HN       ALA  12  -0.851   3.890   3.890
   29    HA   ALA  12           HA       ALA  12   0.690   3.065   3.065
   30   1HB   ALA  12           HB3      ALA  12  -1.112   5.214   5.214
   31   2HB   ALA  12           HB2      ALA  12  -1.593   4.502   4.502
   32   3HB   ALA  12           HB1      ALA  12   0.042   5.128   5.128
   33    H    LEU  13           HN       LEU  13   0.205   0.829   0.829
   34    HA   LEU  13           HA       LEU  13  -2.188  -0.523  -0.523
   35   1HB   LEU  13           HB2      LEU  13  -0.144  -0.793  -0.793
   36   2HB   LEU  13           HB1      LEU  13  -1.333  -2.009  -2.009
   37    HG   LEU  13           HG       LEU  13   0.953  -0.956  -0.956
   38   1HD1  LEU  13          HD12      LEU  13   0.598  -3.210  -3.210
   39   2HD1  LEU  13          HD11      LEU  13   0.887  -3.774  -3.774
   40   3HD1  LEU  13          HD13      LEU  13   2.048  -2.700  -2.700
   41   1HD2  LEU  13          HD23      LEU  13  -1.600  -2.177  -2.177
   42   2HD2  LEU  13          HD22      LEU  13  -0.384  -1.423  -1.423
   43   3HD2  LEU  13          HD21      LEU  13  -0.223  -3.117  -3.117
   44    H    TYR  14           HN       TYR  14  -1.071   1.534   1.534
   45    HA   TYR  14           HA       TYR  14  -3.911   1.854   1.854
   46   1HB   TYR  14           HB2      TYR  14  -1.946   1.277   1.277
   47   2HB   TYR  14           HB1      TYR  14  -3.694   1.035   1.035
   48    HD1  TYR  14           HD1      TYR  14  -4.601  -0.790  -0.790
   49    HD2  TYR  14           HD2      TYR  14  -0.507  -0.531  -0.531
   50    HE1  TYR  14           HE1      TYR  14  -4.266  -3.121  -3.121
   51    HE2  TYR  14           HE2      TYR  14  -0.175  -2.863  -2.863
   52    HH   TYR  14           HH       TYR  14  -1.065  -4.629  -4.629
   53    H    ASP  15           HN       ASP  15  -4.048   3.553   3.553
   54    HA   ASP  15           HA       ASP  15  -2.670   5.923   5.923
   55   1HB   ASP  15           HB2      ASP  15  -4.921   5.511   5.511
   56   2HB   ASP  15           HB1      ASP  15  -3.808   5.813   5.813
   57    H    TYR  16           HN       TYR  16  -0.544   6.297   6.297
   58    HA   TYR  16           HA       TYR  16   0.788   5.008   5.008
   59   1HB   TYR  16           HB2      TYR  16   2.047   4.819   4.819
   60   2HB   TYR  16           HB1      TYR  16   1.760   6.503   6.503
   61    HD1  TYR  16           HD1      TYR  16   2.731   5.226   5.226
   62    HD2  TYR  16           HD2      TYR  16   4.004   7.319   7.319
   63    HE1  TYR  16           HE1      TYR  16   4.801   5.868   5.868
   64    HE2  TYR  16           HE2      TYR  16   6.074   7.962   7.962
   65    HH   TYR  16           HH       TYR  16   6.772   8.283   8.283
   66    H    GLU  17           HN       GLU  17   0.817   6.101   6.101
   67    HA   GLU  17           HA       GLU  17   0.673   9.078   9.078
   68   1HB   GLU  17           HB2      GLU  17  -0.986   7.597   7.597
   69   2HB   GLU  17           HB1      GLU  17   0.355   7.384   7.384
   70   1HG   GLU  17           HG2      GLU  17   0.296  10.139  10.139
   71   2HG   GLU  17           HG1      GLU  17  -1.392   9.676   9.676
   72    H    SER  18           HN       SER  18   2.996   9.216   9.216
   73    HA   SER  18           HA       SER  18   5.148   8.114   8.114
   74   1HB   SER  18           HB2      SER  18   6.417   9.936   9.936
   75   2HB   SER  18           HB1      SER  18   5.036   9.981   9.981
   76    HG   SER  18           HG       SER  18   5.408  11.507  11.507
   77    H    ARG  19           HN       ARG  19   6.540   9.134   9.134
   78    HA   ARG  19           HA       ARG  19   4.772  10.078  10.078
   79   1HB   ARG  19           HB2      ARG  19   7.360   8.518   8.518
   80   2HB   ARG  19           HB1      ARG  19   6.756   9.292   9.292
   81   1HG   ARG  19           HG2      ARG  19   4.645   7.814   7.814
   82   2HG   ARG  19           HG1      ARG  19   6.020   6.768   6.768
   83   1HD   ARG  19           HD2      ARG  19   4.914   8.651   8.651
   84   2HD   ARG  19           HD1      ARG  19   4.219   7.048   7.048
   85    HE   ARG  19           HE       ARG  19   7.109   6.962   6.962
   86   1HH1  ARG  19          HH21      ARG  19   4.046   7.146   7.146
   87   2HH1  ARG  19          HH22      ARG  19   4.620   6.430   6.430
   88   1HH2  ARG  19          HH11      ARG  19   7.867   6.027   6.027
   89   2HH2  ARG  19          HH12      ARG  19   6.780   5.797   5.797
   90    H    THR  20           HN       THR  20   7.688  10.761  10.761
   91    HA   THR  20           HA       THR  20   8.031  13.271  13.271
   92    HB   THR  20           HB       THR  20  10.271  12.814  12.814
   93    HG1  THR  20           HG1      THR  20  10.812  10.770  10.770
   94   1HG2  THR  20          HG23      THR  20   9.655  13.448  13.448
   95   2HG2  THR  20          HG22      THR  20  10.798  12.104  12.104
   96   3HG2  THR  20          HG21      THR  20  11.209  13.598  13.598
   97    H    GLU  21           HN       GLU  21   9.391  14.858  14.858
   98    HA   GLU  21           HA       GLU  21   7.396  15.390  15.390
   99   1HB   GLU  21           HB2      GLU  21   8.029  17.316  17.316
  100   2HB   GLU  21           HB1      GLU  21   9.745  16.953  16.953
  101   1HG   GLU  21           HG2      GLU  21   9.675  17.447  17.447
  102   2HG   GLU  21           HG1      GLU  21   7.916  17.575  17.575
  103    H    THR  22           HN       THR  22  10.131  13.546  13.546
  104    HA   THR  22           HA       THR  22  11.538  14.282  14.282
  105    HB   THR  22           HB       THR  22  11.626  11.433  11.433
  106    HG1  THR  22           HG1      THR  22  11.674  11.690  11.690
  107   1HG2  THR  22          HG21      THR  22  13.524  13.737  13.737
  108   2HG2  THR  22          HG23      THR  22  14.086  12.235  12.235
  109   3HG2  THR  22          HG22      THR  22  13.433  12.226  12.226
  110    H    ASP  23           HN       ASP  23   8.997  11.866  11.866
  111    HA   ASP  23           HA       ASP  23   8.785  11.364  11.364
  112   1HB   ASP  23           HB2      ASP  23   7.156   9.923   9.923
  113   2HB   ASP  23           HB1      ASP  23   7.741   9.339   9.339
  114    H    LEU  24           HN       LEU  24   7.020  12.075  12.075
  115    HA   LEU  24           HA       LEU  24   5.094  13.790  13.790
  116   1HB   LEU  24           HB2      LEU  24   4.854  13.415  13.415
  117   2HB   LEU  24           HB1      LEU  24   4.732  14.890  14.890
  118    HG   LEU  24           HG       LEU  24   7.229  13.430  13.430
  119   1HD1  LEU  24          HD11      LEU  24   5.964  15.283  15.283
  120   2HD1  LEU  24          HD13      LEU  24   6.689  16.382  16.382
  121   3HD1  LEU  24          HD12      LEU  24   7.719  15.370  15.370
  122   1HD2  LEU  24          HD21      LEU  24   6.746  15.107  15.107
  123   2HD2  LEU  24          HD23      LEU  24   8.082  14.009  14.009
  124   3HD2  LEU  24          HD22      LEU  24   8.095  15.649  15.649
  125    H    SER  25           HN       SER  25   4.114  11.979  11.979
  126    HA   SER  25           HA       SER  25   2.960   9.688   9.688
  127   1HB   SER  25           HB2      SER  25   0.800  11.434  11.434
  128   2HB   SER  25           HB1      SER  25   1.545  10.051  10.051
  129    HG   SER  25           HG       SER  25   1.984  12.680  12.680
  130    H    PHE  26           HN       PHE  26   1.352   8.807   8.807
  131    HA   PHE  26           HA       PHE  26  -0.016  10.699  10.699
  132   1HB   PHE  26           HB2      PHE  26   0.168   8.884   8.884
  133   2HB   PHE  26           HB1      PHE  26   1.712   9.609   9.609
  134    HD1  PHE  26           HD2      PHE  26  -0.523   6.729   6.729
  135    HD2  PHE  26           HD1      PHE  26   3.462   8.212   8.212
  136    HE1  PHE  26           HE2      PHE  26   0.306   4.483   4.483
  137    HE2  PHE  26           HE1      PHE  26   4.284   5.968   5.968
  138    HZ   PHE  26           HZ       PHE  26   2.711   4.108   4.108
  139    H    LYS  27           HN       LYS  27  -1.787   9.204   9.204
  140    HA   LYS  27           HA       LYS  27  -3.272   7.793   7.793
  141   1HB   LYS  27           HB2      LYS  27  -4.673   8.995   8.995
  142   2HB   LYS  27           HB1      LYS  27  -5.268   8.745   8.745
  143   1HG   LYS  27           HG2      LYS  27  -3.877  10.554  10.554
  144   2HG   LYS  27           HG1      LYS  27  -3.108  10.740  10.740
  145   1HD   LYS  27           HD2      LYS  27  -6.092  11.041  11.041
  146   2HD   LYS  27           HD1      LYS  27  -4.979  12.402  12.402
  147   1HE   LYS  27           HE2      LYS  27  -4.136  11.883  11.883
  148   2HE   LYS  27           HE1      LYS  27  -5.382  10.642  10.642
  149   1HZ   LYS  27           HZ3      LYS  27  -6.977  12.519  12.519
  150   2HZ   LYS  27           HZ2      LYS  27  -5.708  13.568  13.568
  151   3HZ   LYS  27           HZ1      LYS  27  -6.345  12.504  12.504
  152    H    LYS  28           HN       LYS  28  -5.107   6.374   6.374
  153    HA   LYS  28           HA       LYS  28  -3.580   4.504   4.504
  154   1HB   LYS  28           HB2      LYS  28  -4.923   3.566   3.566
  155   2HB   LYS  28           HB1      LYS  28  -6.372   4.346   4.346
  156   1HG   LYS  28           HG2      LYS  28  -4.821   2.583   2.583
  157   2HG   LYS  28           HG1      LYS  28  -5.784   1.807   1.807
  158   1HD   LYS  28           HD2      LYS  28  -7.142   3.998   3.998
  159   2HD   LYS  28           HD1      LYS  28  -6.786   2.565   2.565
  160   1HE   LYS  28           HE2      LYS  28  -8.913   2.117   2.117
  161   2HE   LYS  28           HE1      LYS  28  -7.791   1.226   1.226
  162   1HZ   LYS  28           HZ3      LYS  28  -8.670   3.984   3.984
  163   2HZ   LYS  28           HZ2      LYS  28  -9.499   2.614   2.614
  164   3HZ   LYS  28           HZ1      LYS  28  -7.888   2.882   2.882
  165    H    GLY  29           HN       GLY  29  -4.205   3.937   3.937
  166   1HA   GLY  29           HA2      GLY  29  -5.581   4.092   4.092
  167   2HA   GLY  29           HA1      GLY  29  -6.446   5.438   5.438
  168    H    GLU  30           HN       GLU  30  -3.697   6.567   6.567
  169    HA   GLU  30           HA       GLU  30  -3.375   8.182   8.182
  170   1HB   GLU  30           HB2      GLU  30  -3.152   9.116   9.116
  171   2HB   GLU  30           HB1      GLU  30  -1.681   8.163   8.163
  172   1HG   GLU  30           HG2      GLU  30  -0.846   9.306   9.306
  173   2HG   GLU  30           HG1      GLU  30  -2.189  10.430  10.430
  174    H    ARG  31           HN       ARG  31  -1.508   8.230   8.230
  175    HA   ARG  31           HA       ARG  31   0.031   5.692   5.692
  176   1HB   ARG  31           HB2      ARG  31   0.097   7.868   7.868
  177   2HB   ARG  31           HB1      ARG  31   0.583   6.182   6.182
  178   1HG   ARG  31           HG2      ARG  31  -1.570   5.454   5.454
  179   2HG   ARG  31           HG1      ARG  31  -2.209   6.623   6.623
  180   1HD   ARG  31           HD2      ARG  31  -1.352   7.210   7.210
  181   2HD   ARG  31           HD1      ARG  31  -3.010   7.166   7.166
  182    HE   ARG  31           HE       ARG  31  -1.684   9.041   9.041
  183   1HH1  ARG  31          HH21      ARG  31  -2.356   8.515   8.515
  184   2HH1  ARG  31          HH22      ARG  31  -2.396  10.201  10.201
  185   1HH2  ARG  31          HH11      ARG  31  -1.735  11.243  11.243
  186   2HH2  ARG  31          HH12      ARG  31  -2.045  11.744  11.744
  187    H    LEU  32           HN       LEU  32   2.285   5.662   5.662
  188    HA   LEU  32           HA       LEU  32   3.558   8.289   8.289
  189   1HB   LEU  32           HB2      LEU  32   3.590   5.664   5.664
  190   2HB   LEU  32           HB1      LEU  32   5.121   6.536   6.536
  191    HG   LEU  32           HG       LEU  32   2.745   8.168   8.168
  192   1HD1  LEU  32          HD13      LEU  32   3.519   5.748   5.748
  193   2HD1  LEU  32          HD12      LEU  32   3.411   7.213   7.213
  194   3HD1  LEU  32          HD11      LEU  32   2.015   6.667   6.667
  195   1HD2  LEU  32          HD22      LEU  32   5.512   8.429   8.429
  196   2HD2  LEU  32          HD21      LEU  32   4.358   9.501   9.501
  197   3HD2  LEU  32          HD23      LEU  32   5.085   8.167   8.167
  198    H    GLN  33           HN       GLN  33   5.955   8.294   8.294
  199    HA   GLN  33           HA       GLN  33   6.568   6.606   6.606
  200   1HB   GLN  33           HB2      GLN  33   7.005   9.423   9.423
  201   2HB   GLN  33           HB1      GLN  33   8.469   8.627   8.627
  202   1HG   GLN  33           HG2      GLN  33   7.334   7.848   7.848
  203   2HG   GLN  33           HG1      GLN  33   5.799   8.496   8.496
  204   1HE2  GLN  33          HE22      GLN  33   7.579  11.910  11.910
  205   2HE2  GLN  33          HE21      GLN  33   7.282  10.954  10.954
  206    H    ILE  34           HN       ILE  34   7.345   4.847   4.847
  207    HA   ILE  34           HA       ILE  34   9.239   5.001   5.001
  208    HB   ILE  34           HB       ILE  34   9.011   2.948   2.948
  209   1HG1  ILE  34          HG12      ILE  34   7.023   2.925   2.925
  210   2HG1  ILE  34          HG11      ILE  34   8.014   1.642   1.642
  211   1HG2  ILE  34          HG23      ILE  34  10.898   3.228   3.228
  212   2HG2  ILE  34          HG22      ILE  34  10.156   1.638   1.638
  213   3HG2  ILE  34          HG21      ILE  34  11.079   2.333   2.333
  214   1HD1  ILE  34          HD13      ILE  34   8.889   3.569   3.569
  215   2HD1  ILE  34          HD12      ILE  34   7.374   4.351   4.351
  216   3HD1  ILE  34          HD11      ILE  34   7.351   2.779   2.779
  217    H    VAL  35           HN       VAL  35  11.320   5.650   5.650
  218    HA   VAL  35           HA       VAL  35  12.731   6.225   6.225
  219    HB   VAL  35           HB       VAL  35  13.062   7.362   7.362
  220   1HG1  VAL  35          HG12      VAL  35  14.935   7.198   7.198
  221   2HG1  VAL  35          HG11      VAL  35  14.634   8.856   8.856
  222   3HG1  VAL  35          HG13      VAL  35  15.232   7.665   7.665
  223   1HG2  VAL  35          HG22      VAL  35  11.922   8.304   8.304
  224   2HG2  VAL  35          HG21      VAL  35  11.319   8.551   8.551
  225   3HG2  VAL  35          HG23      VAL  35  12.696   9.486   9.486
  226    H    ASN  36           HN       ASN  36  12.937   4.510   4.510
  227    HA   ASN  36           HA       ASN  36  15.213   2.960   2.960
  228   1HB   ASN  36           HB2      ASN  36  15.552   5.032   5.032
  229   2HB   ASN  36           HB1      ASN  36  15.824   3.480   3.480
  230   1HD2  ASN  36          HD22      ASN  36  18.378   2.719   2.719
  231   2HD2  ASN  36          HD21      ASN  36  16.872   2.043   2.043
  232    H    ASN  37           HN       ASN  37  15.334   0.865   0.865
  233    HA   ASN  37           HA       ASN  37  13.510   0.199   0.199
  234   1HB   ASN  37           HB2      ASN  37  12.678  -1.776  -1.776
  235   2HB   ASN  37           HB1      ASN  37  11.895  -0.197  -0.197
  236   1HD2  ASN  37          HD22      ASN  37  12.531  -0.202  -0.202
  237   2HD2  ASN  37          HD21      ASN  37  11.374  -0.104  -0.104
  238    H    THR  38           HN       THR  38  13.627  -2.506  -2.506
  239    HA   THR  38           HA       THR  38  15.093  -4.186  -4.186
  240    HB   THR  38           HB       THR  38  15.659  -5.112  -5.112
  241    HG1  THR  38           HG1      THR  38  17.754  -4.891  -4.891
  242   1HG2  THR  38          HG23      THR  38  14.429  -3.143  -3.143
  243   2HG2  THR  38          HG22      THR  38  16.007  -2.389  -2.389
  244   3HG2  THR  38          HG21      THR  38  15.631  -3.915  -3.915
  245    H    GLU  39           HN       GLU  39  15.686  -1.335  -1.335
  246    HA   GLU  39           HA       GLU  39  18.621  -1.627  -1.627
  247   1HB   GLU  39           HB2      GLU  39  17.001   0.614   0.614
  248   2HB   GLU  39           HB1      GLU  39  17.728   0.950   0.950
  249   1HG   GLU  39           HG2      GLU  39  19.949   0.422   0.422
  250   2HG   GLU  39           HG1      GLU  39  19.250  -0.025  -0.025
  251    H    GLY  40           HN       GLY  40  15.560  -0.712  -0.712
  252   1HA   GLY  40           HA2      GLY  40  16.470  -1.951  -1.951
  253   2HA   GLY  40           HA1      GLY  40  16.251  -0.203  -0.203
  254    H    ASP  41           HN       ASP  41  14.322   0.186   0.186
  255    HA   ASP  41           HA       ASP  41  11.974  -1.451  -1.451
  256   1HB   ASP  41           HB2      ASP  41  12.640  -0.289  -0.289
  257   2HB   ASP  41           HB1      ASP  41  11.034  -0.885  -0.885
  258    H    TRP  42           HN       TRP  42  13.340   1.690   1.690
  259    HA   TRP  42           HA       TRP  42  10.676   2.918   2.918
  260   1HB   TRP  42           HB2      TRP  42  13.143   4.053   4.053
  261   2HB   TRP  42           HB1      TRP  42  11.806   5.060   5.060
  262    HD1  TRP  42           HD1      TRP  42  12.774   2.600   2.600
  263    HE1  TRP  42           HE1      TRP  42  10.843   2.576   2.576
  264    HE3  TRP  42           HE3      TRP  42   9.499   5.213   5.213
  265    HZ2  TRP  42           HZ2      TRP  42   8.083   3.608   3.608
  266    HZ3  TRP  42           HZ3      TRP  42   7.236   5.714   5.714
  267    HH2  TRP  42           HH2      TRP  42   6.528   4.907   4.907
  268    H    TRP  43           HN       TRP  43  10.455   3.809   3.809
  269    HA   TRP  43           HA       TRP  43  12.966   4.366   4.366
  270   1HB   TRP  43           HB2      TRP  43  10.345   3.514   3.514
  271   2HB   TRP  43           HB1      TRP  43  11.928   3.584   3.584
  272    HD1  TRP  43           HD1      TRP  43  13.516   2.141   2.141
  273    HE1  TRP  43           HE1      TRP  43  13.178  -0.358  -0.358
  274    HE3  TRP  43           HE3      TRP  43   9.338   1.725   1.725
  275    HZ2  TRP  43           HZ2      TRP  43  11.256  -2.392  -2.392
  276    HZ3  TRP  43           HZ3      TRP  43   8.230  -0.438  -0.438
  277    HH2  TRP  43           HH2      TRP  43   9.188  -2.495  -2.495
  278    H    LEU  44           HN       LEU  44  12.782   6.094   6.094
  279    HA   LEU  44           HA       LEU  44  10.895   8.213   8.213
  280   1HB   LEU  44           HB2      LEU  44  13.367   8.689   8.689
  281   2HB   LEU  44           HB1      LEU  44  13.306   8.448   8.448
  282    HG   LEU  44           HG       LEU  44  11.530  10.442  10.442
  283   1HD1  LEU  44          HD11      LEU  44  14.174  10.723  10.723
  284   2HD1  LEU  44          HD13      LEU  44  13.961  11.277  11.277
  285   3HD1  LEU  44          HD12      LEU  44  13.132  12.104  12.104
  286   1HD2  LEU  44          HD23      LEU  44  11.931   9.526   9.526
  287   2HD2  LEU  44          HD22      LEU  44  10.610  10.474  10.474
  288   3HD2  LEU  44          HD21      LEU  44  12.090  11.275  11.275
  289    H    ALA  45           HN       ALA  45   9.199   8.767   8.767
  290    HA   ALA  45           HA       ALA  45   9.398   8.043   8.043
  291   1HB   ALA  45           HB3      ALA  45   7.090   7.469   7.469
  292   2HB   ALA  45           HB2      ALA  45   6.961   7.381   7.381
  293   3HB   ALA  45           HB1      ALA  45   8.055   6.296   6.296
  294    H    HIS  46           HN       HIS  46   8.292   9.472   9.472
  295    HA   HIS  46           HA       HIS  46   7.115  11.886  11.886
  296   1HB   HIS  46           HB2      HIS  46   9.459  12.006  12.006
  297   2HB   HIS  46           HB1      HIS  46   8.365  12.243  12.243
  298    HD1  HIS  46           HD1      HIS  46  10.032  14.470  14.470
  299    HD2  HIS  46           HD2      HIS  46   6.012  13.897  13.897
  300    HE1  HIS  46           HE1      HIS  46   9.036  16.553  16.553
  301    H    SER  47           HN       SER  47   6.484  13.041  13.041
  302    HA   SER  47           HA       SER  47   4.872  12.946  12.946
  303   1HB   SER  47           HB2      SER  47   5.562  10.213  10.213
  304   2HB   SER  47           HB1      SER  47   3.805  10.310  10.310
  305    HG   SER  47           HG       SER  47   5.471  11.679  11.679
  306    H    LEU  48           HN       LEU  48   4.409  12.962  12.962
  307    HA   LEU  48           HA       LEU  48   1.600  12.252  12.252
  308   1HB   LEU  48           HB2      LEU  48   3.246  13.896  13.896
  309   2HB   LEU  48           HB1      LEU  48   1.777  12.985  12.985
  310    HG   LEU  48           HG       LEU  48   3.292  11.407  11.407
  311   1HD1  LEU  48          HD13      LEU  48   2.158  10.633  10.633
  312   2HD1  LEU  48          HD12      LEU  48   3.775  10.787  10.787
  313   3HD1  LEU  48          HD11      LEU  48   3.487   9.686   9.686
  314   1HD2  LEU  48          HD21      LEU  48   5.154  13.063  13.063
  315   2HD2  LEU  48          HD23      LEU  48   5.409  12.163  12.163
  316   3HD2  LEU  48          HD22      LEU  48   5.521  11.338  11.338
  317    H    THR  49           HN       THR  49   3.158  15.406  15.406
  318    HA   THR  49           HA       THR  49   0.824  16.690  16.690
  319    HB   THR  49           HB       THR  49   2.200  18.333  18.333
  320    HG1  THR  49           HG1      THR  49   2.337  16.228  16.228
  321   1HG2  THR  49          HG22      THR  49  -0.605  17.572  17.572
  322   2HG2  THR  49          HG21      THR  49  -0.303  18.404  18.404
  323   3HG2  THR  49          HG23      THR  49   0.154  19.165  19.165
  324    H    THR  50           HN       THR  50   1.947  19.341  19.341
  325    HA   THR  50           HA       THR  50   3.327  19.681  19.681
  326    HB   THR  50           HB       THR  50   4.409  21.406  21.406
  327    HG1  THR  50           HG1      THR  50   2.613  21.351  21.351
  328   1HG2  THR  50          HG23      THR  50   3.400  21.534  21.534
  329   2HG2  THR  50          HG22      THR  50   2.688  22.807  22.807
  330   3HG2  THR  50          HG21      THR  50   4.442  22.673  22.673
  331    H    GLY  51           HN       GLY  51   4.922  19.425  19.425
  332   1HA   GLY  51           HA2      GLY  51   7.048  17.778  17.778
  333   2HA   GLY  51           HA1      GLY  51   7.575  19.384  19.384
  334    H    GLN  52           HN       GLN  52   5.267  17.080  17.080
  335    HA   GLN  52           HA       GLN  52   6.695  17.487  17.487
  336   1HB   GLN  52           HB2      GLN  52   3.916  16.994  16.994
  337   2HB   GLN  52           HB1      GLN  52   4.466  15.910  15.910
  338   1HG   GLN  52           HG2      GLN  52   4.030  17.628  17.628
  339   2HG   GLN  52           HG1      GLN  52   5.515  18.342  18.342
  340   1HE2  GLN  52          HE22      GLN  52   1.926  19.690  19.690
  341   2HE2  GLN  52          HE21      GLN  52   2.029  18.098  18.098
  342    H    THR  53           HN       THR  53   8.003  15.888  15.888
  343    HA   THR  53           HA       THR  53   8.233  13.389  13.389
  344    HB   THR  53           HB       THR  53   9.572  13.989  13.989
  345    HG1  THR  53           HG1      THR  53  10.577  14.761  14.761
  346   1HG2  THR  53          HG23      THR  53  10.037  12.206  12.206
  347   2HG2  THR  53          HG22      THR  53  11.444  12.822  12.822
  348   3HG2  THR  53          HG21      THR  53  10.232  11.868  11.868
  349    H    GLY  54           HN       GLY  54   8.490  11.325  11.325
  350   1HA   GLY  54           HA2      GLY  54   6.610  11.327  11.327
  351   2HA   GLY  54           HA1      GLY  54   5.970  10.523  10.523
  352    H    TYR  55           HN       TYR  55   8.359  10.338  10.338
  353    HA   TYR  55           HA       TYR  55   9.729   8.004   8.004
  354   1HB   TYR  55           HB2      TYR  55   9.419   9.258   9.258
  355   2HB   TYR  55           HB1      TYR  55  10.259   7.726   7.726
  356    HD1  TYR  55           HD1      TYR  55  10.310  10.347  10.347
  357    HD2  TYR  55           HD2      TYR  55  12.445   8.617   8.617
  358    HE1  TYR  55           HE1      TYR  55  12.318  11.582  11.582
  359    HE2  TYR  55           HE2      TYR  55  14.456   9.851   9.851
  360    HH   TYR  55           HH       TYR  55  14.427  12.420  12.420
  361    H    ILE  56           HN       ILE  56   8.010   6.607   6.607
  362    HA   ILE  56           HA       ILE  56   5.959   5.828   5.828
  363    HB   ILE  56           HB       ILE  56   4.966   4.567   4.567
  364   1HG1  ILE  56          HG12      ILE  56   7.059   3.277   3.277
  365   2HG1  ILE  56          HG11      ILE  56   6.117   3.746   3.746
  366   1HG2  ILE  56          HG21      ILE  56   6.454   6.924   6.924
  367   2HG2  ILE  56          HG23      ILE  56   5.211   6.049   6.049
  368   3HG2  ILE  56          HG22      ILE  56   4.803   6.890   6.890
  369   1HD1  ILE  56          HD13      ILE  56   7.616   5.815   5.815
  370   2HD1  ILE  56          HD12      ILE  56   8.658   5.008   5.008
  371   3HD1  ILE  56          HD11      ILE  56   8.376   4.277   4.277
  372    HA   PRO  57           HA       PRO  57   8.266   2.602   2.602
  373   1HB   PRO  57           HB2      PRO  57   5.872   1.294   1.294
  374   2HB   PRO  57           HB1      PRO  57   6.917   2.362   2.362
  375   1HG   PRO  57           HG2      PRO  57   4.270   2.922   2.922
  376   2HG   PRO  57           HG1      PRO  57   5.290   3.963   3.963
  377   1HD   PRO  57           HD1      PRO  57   4.701   4.251   4.251
  378   2HD   PRO  57           HD2      PRO  57   5.744   5.278   5.278
  379    H    SER  58           HN       SER  58   7.697  -0.024  -0.024
  380    HA   SER  58           HA       SER  58   7.488  -0.777  -0.777
  381   1HB   SER  58           HB2      SER  58   8.972  -2.369  -2.369
  382   2HB   SER  58           HB1      SER  58   8.989  -1.711  -1.711
  383    HG   SER  58           HG       SER  58   8.216  -3.607  -3.607
  384    H    ASN  59           HN       ASN  59   5.974  -1.747  -1.747
  385    HA   ASN  59           HA       ASN  59   3.997  -3.424  -3.424
  386   1HB   ASN  59           HB2      ASN  59   4.542  -2.444  -2.444
  387   2HB   ASN  59           HB1      ASN  59   2.893  -2.957  -2.957
  388   1HD2  ASN  59          HD22      ASN  59   3.754  -6.397  -6.397
  389   2HD2  ASN  59          HD21      ASN  59   2.566  -5.224  -5.224
  390    H    TYR  60           HN       TYR  60   4.209  -0.182  -0.182
  391    HA   TYR  60           HA       TYR  60   1.245   0.161   0.161
  392   1HB   TYR  60           HB2      TYR  60   3.527   2.079   2.079
  393   2HB   TYR  60           HB1      TYR  60   1.961   2.687   2.687
  394    HD1  TYR  60           HD1      TYR  60   3.472   0.522   0.522
  395    HD2  TYR  60           HD2      TYR  60   0.289   3.138   3.138
  396    HE1  TYR  60           HE1      TYR  60   2.623   0.414   0.414
  397    HE2  TYR  60           HE2      TYR  60  -0.558   3.032   3.032
  398    HH   TYR  60           HH       TYR  60  -0.282   1.095   1.095
  399    H    VAL  61           HN       VAL  61   3.789  -0.225  -0.225
  400    HA   VAL  61           HA       VAL  61   2.025   0.823   0.823
  401    HB   VAL  61           HB       VAL  61   3.787   2.440   2.440
  402   1HG1  VAL  61          HG12      VAL  61   5.296   0.220   0.220
  403   2HG1  VAL  61          HG11      VAL  61   6.081   0.790   0.790
  404   3HG1  VAL  61          HG13      VAL  61   5.843   1.892   1.892
  405   1HG2  VAL  61          HG22      VAL  61   3.158   1.685   1.685
  406   2HG2  VAL  61          HG21      VAL  61   4.805   2.309   2.309
  407   3HG2  VAL  61          HG23      VAL  61   4.523   0.570   0.570
  408    H    ALA  62           HN       ALA  62   2.601  -0.133  -0.133
  409    HA   ALA  62           HA       ALA  62   4.168  -2.569  -2.569
  410   1HB   ALA  62           HB1      ALA  62   2.151  -3.356  -3.356
  411   2HB   ALA  62           HB3      ALA  62   1.151  -2.868  -2.868
  412   3HB   ALA  62           HB2      ALA  62   2.341  -4.156  -4.156
  413    HA   PRO  63           HA       PRO  63   4.110  -1.341  -1.341
  414   1HB   PRO  63           HB2      PRO  63   4.597  -4.016  -4.016
  415   2HB   PRO  63           HB1      PRO  63   5.762  -2.700  -2.700
  416   1HG   PRO  63           HG2      PRO  63   5.510  -5.069  -5.069
  417   2HG   PRO  63           HG1      PRO  63   6.673  -3.751  -3.751
  418   1HD   PRO  63           HD1      PRO  63   4.383  -4.336  -4.336
  419   2HD   PRO  63           HD2      PRO  63   5.562  -3.024  -3.024
  420    H    SER  64           HN       SER  64   2.194  -0.963  -0.963
  421    HA   SER  64           HA       SER  64   0.628  -3.100  -3.100
  422   1HB   SER  64           HB2      SER  64  -1.373  -2.948  -2.948
  423   2HB   SER  64           HB1      SER  64  -0.041  -3.199  -3.199
  424    HG   SER  64           HG       SER  64  -1.665  -1.415  -1.415
  425   1H    ARG  71           HT3      ARG  71  13.066   2.548   2.548
  426   2H    ARG  71           HT2      ARG  71  14.064   2.369   2.369
  427   3H    ARG  71           HT1      ARG  71  14.041   3.840   3.840
  428    HA   ARG  71           HA       ARG  71  12.081   4.519   4.519
  429   1HB   ARG  71           HB2      ARG  71  13.795   4.012   4.012
  430   2HB   ARG  71           HB1      ARG  71  12.910   2.516   2.516
  431   1HG   ARG  71           HG2      ARG  71  11.823   3.900   3.900
  432   2HG   ARG  71           HG1      ARG  71  10.835   4.196   4.196
  433   1HD   ARG  71           HD2      ARG  71  11.473   6.357   6.357
  434   2HD   ARG  71           HD1      ARG  71  13.178   5.910   5.910
  435    HE   ARG  71           HE       ARG  71  12.303   5.585   5.585
  436   1HH1  ARG  71          HH21      ARG  71  12.146   8.096   8.096
  437   2HH1  ARG  71          HH22      ARG  71  12.168   9.374   9.374
  438   1HH2  ARG  71          HH11      ARG  71  12.331   7.245   7.245
  439   2HH2  ARG  71          HH12      ARG  71  12.270   8.894   8.894
  440    H    ALA  72           HN       ALA  72  12.269   0.971   0.971
  441    HA   ALA  72           HA       ALA  72  10.596  -0.660  -0.660
  442   1HB   ALA  72           HB3      ALA  72  10.288   0.874   0.874
  443   2HB   ALA  72           HB2      ALA  72   8.772   1.278   1.278
  444   3HB   ALA  72           HB1      ALA  72   9.131  -0.398  -0.398
  445    H    LEU  73           HN       LEU  73   9.230  -1.287  -1.287
  446    HA   LEU  73           HA       LEU  73   8.153   0.637   0.637
  447   1HB   LEU  73           HB2      LEU  73   7.842  -2.342  -2.342
  448   2HB   LEU  73           HB1      LEU  73   6.898  -1.471  -1.471
  449    HG   LEU  73           HG       LEU  73   9.923  -1.566  -1.566
  450   1HD1  LEU  73          HD12      LEU  73   8.673  -3.563  -3.563
  451   2HD1  LEU  73          HD11      LEU  73   8.107  -2.485  -2.485
  452   3HD1  LEU  73          HD13      LEU  73   9.833  -2.801  -2.801
  453   1HD2  LEU  73          HD21      LEU  73   8.074   0.301   0.301
  454   2HD2  LEU  73          HD23      LEU  73   9.795   0.479   0.479
  455   3HD2  LEU  73          HD22      LEU  73   9.269  -0.401  -0.401
  456    HA   PRO  74           HA       PRO  74   4.366   1.622   1.622
  457   1HB   PRO  74           HB2      PRO  74   2.918   1.940   1.940
  458   2HB   PRO  74           HB1      PRO  74   3.719   3.203   3.203
  459   1HG   PRO  74           HG2      PRO  74   4.523   2.077   2.077
  460   2HG   PRO  74           HG1      PRO  74   5.251   3.426   3.426
  461   1HD   PRO  74           HD1      PRO  74   6.290   0.757   0.757
  462   2HD   PRO  74           HD2      PRO  74   7.000   2.097   2.097
  463    HA   PRO  75           HA       PRO  75   2.405  -2.385  -2.385
  464   1HB   PRO  75           HB2      PRO  75   0.200  -1.314  -1.314
  465   2HB   PRO  75           HB1      PRO  75   1.541  -2.303  -2.303
  466   1HG   PRO  75           HG2      PRO  75   1.091   0.515   0.515
  467   2HG   PRO  75           HG1      PRO  75   2.434  -0.473  -0.473
  468   1HD   PRO  75           HD1      PRO  75   2.483   1.527   1.527
  469   2HD   PRO  75           HD2      PRO  75   3.833   0.542   0.542
  470    H    LEU  76           HN       LEU  76   1.105  -3.180  -3.180
  471    HA   LEU  76           HA       LEU  76  -0.254  -1.618  -1.618
  472   1HB   LEU  76           HB2      LEU  76  -0.786  -4.458  -4.458
  473   2HB   LEU  76           HB1      LEU  76  -1.572  -3.727  -3.727
  474    HG   LEU  76           HG       LEU  76   1.433  -3.936  -3.936
  475   1HD1  LEU  76          HD11      LEU  76  -0.594  -5.784  -5.784
  476   2HD1  LEU  76          HD13      LEU  76   0.809  -5.505  -5.505
  477   3HD1  LEU  76          HD12      LEU  76   1.027  -6.125  -6.125
  478   1HD2  LEU  76          HD22      LEU  76  -0.371  -2.643  -2.643
  479   2HD2  LEU  76          HD21      LEU  76   1.304  -2.267  -2.267
  480   3HD2  LEU  76          HD23      LEU  76   0.943  -3.587  -3.587
  481    HA   PRO  77           HA       PRO  77  -3.931  -0.134  -0.134
  482   1HB   PRO  77           HB2      PRO  77  -5.641  -0.898  -0.898
  483   2HB   PRO  77           HB1      PRO  77  -4.970   0.699   0.699
  484   1HG   PRO  77           HG2      PRO  77  -4.205  -1.101  -1.101
  485   2HG   PRO  77           HG1      PRO  77  -3.508   0.479   0.479
  486   1HD   PRO  77           HD1      PRO  77  -2.340  -2.133  -2.133
  487   2HD   PRO  77           HD2      PRO  77  -1.621  -0.545  -0.545
  488    H    ARG  78           HN       ARG  78  -4.960  -1.234  -1.234
  489    HA   ARG  78           HA       ARG  78  -6.998  -3.087  -3.087
  490   1HB   ARG  78           HB2      ARG  78  -4.389  -4.296  -4.296
  491   2HB   ARG  78           HB1      ARG  78  -5.250  -5.096  -5.096
  492   1HG   ARG  78           HG2      ARG  78  -6.940  -5.832  -5.832
  493   2HG   ARG  78           HG1      ARG  78  -6.842  -4.417  -4.417
  494   1HD   ARG  78           HD2      ARG  78  -4.813  -5.273  -5.273
  495   2HD   ARG  78           HD1      ARG  78  -4.770  -6.630  -6.630
  496    HE   ARG  78           HE       ARG  78  -7.264  -6.785  -6.785
  497   1HH1  ARG  78          HH21      ARG  78  -3.919  -6.768  -6.768
  498   2HH1  ARG  78          HH22      ARG  78  -4.142  -7.764  -7.764
  499   1HH2  ARG  78          HH11      ARG  78  -7.565  -8.084  -8.084
  500   2HH2  ARG  78          HH12      ARG  78  -6.203  -8.508  -8.508
  501    H    TYR  79           HN       TYR  79  -4.055  -3.590  -3.590
  502    HA   TYR  79           HA       TYR  79  -5.687  -3.382  -3.382
  503   1HB   TYR  79           HB2      TYR  79  -2.714  -3.782  -3.782
  504   2HB   TYR  79           HB1      TYR  79  -3.945  -4.469  -4.469
  505    HD1  TYR  79           HD1      TYR  79  -5.301  -6.394  -6.394
  506    HD2  TYR  79           HD2      TYR  79  -2.226  -4.802  -4.802
  507    HE1  TYR  79           HE1      TYR  79  -5.389  -8.403  -8.403
  508    HE2  TYR  79           HE2      TYR  79  -2.312  -6.812  -6.812
  509    HH   TYR  79           HH       TYR  79  -3.141  -8.863  -8.863

  Start of MODEL    9
    1   1H    THR   9           HT2      THR   9   5.101   1.672   1.672
    2   2H    THR   9           HT1      THR   9   5.213   3.054   3.054
    3   3H    THR   9           HT3      THR   9   5.818   3.087   3.087
    4    HA   THR   9           HA       THR   9   3.793   4.221   4.221
    5    HB   THR   9           HB       THR   9   2.013   2.165   2.165
    6    HG1  THR   9           HG1      THR   9   3.590   3.384   3.384
    7   1HG2  THR   9          HG23      THR   9   2.569   5.040   5.040
    8   2HG2  THR   9          HG22      THR   9   1.175   4.097   4.097
    9   3HG2  THR   9          HG21      THR   9   1.374   4.499   4.499
   10    H    PHE  10           HN       PHE  10   4.614   3.414   3.414
   11    HA   PHE  10           HA       PHE  10   3.524   0.896   0.896
   12   1HB   PHE  10           HB2      PHE  10   5.235   3.097   3.097
   13   2HB   PHE  10           HB1      PHE  10   4.343   2.129   2.129
   14    HD1  PHE  10           HD2      PHE  10   5.417   0.741   0.741
   15    HD2  PHE  10           HD1      PHE  10   6.365   1.060   1.060
   16    HE1  PHE  10           HE2      PHE  10   7.061  -1.068  -1.068
   17    HE2  PHE  10           HE1      PHE  10   8.007  -0.749  -0.749
   18    HZ   PHE  10           HZ       PHE  10   8.357  -1.814  -1.814
   19    H    VAL  11           HN       VAL  11   1.868   0.719   0.719
   20    HA   VAL  11           HA       VAL  11   0.122   3.142   3.142
   21    HB   VAL  11           HB       VAL  11  -0.842   0.285   0.285
   22   1HG1  VAL  11          HG13      VAL  11  -2.120   2.990   2.990
   23   2HG1  VAL  11          HG12      VAL  11  -2.973   1.480   1.480
   24   3HG1  VAL  11          HG11      VAL  11  -2.422   1.853   1.853
   25   1HG2  VAL  11          HG23      VAL  11  -0.566   2.044   2.044
   26   2HG2  VAL  11          HG22      VAL  11   0.174   0.466   0.466
   27   3HG2  VAL  11          HG21      VAL  11  -1.572   0.596   0.596
   28    H    ALA  12           HN       ALA  12  -0.546   3.728   3.728
   29    HA   ALA  12           HA       ALA  12   0.834   2.506   2.506
   30   1HB   ALA  12           HB1      ALA  12  -0.994   4.839   4.839
   31   2HB   ALA  12           HB3      ALA  12  -0.827   4.191   4.191
   32   3HB   ALA  12           HB2      ALA  12   0.593   4.781   4.781
   33    H    LEU  13           HN       LEU  13   0.039   0.422   0.422
   34    HA   LEU  13           HA       LEU  13  -2.675  -0.386  -0.386
   35   1HB   LEU  13           HB2      LEU  13  -0.647  -1.491  -1.491
   36   2HB   LEU  13           HB1      LEU  13  -2.039  -2.330  -2.330
   37    HG   LEU  13           HG       LEU  13   0.449  -1.415  -1.415
   38   1HD1  LEU  13          HD12      LEU  13  -0.624  -3.960  -3.960
   39   2HD1  LEU  13          HD11      LEU  13  -0.037  -4.039  -4.039
   40   3HD1  LEU  13          HD13      LEU  13   1.040  -3.509  -3.509
   41   1HD2  LEU  13          HD23      LEU  13  -2.159  -2.521  -2.521
   42   2HD2  LEU  13          HD22      LEU  13  -1.481  -0.925  -0.925
   43   3HD2  LEU  13          HD21      LEU  13  -0.676  -2.368  -2.368
   44    H    TYR  14           HN       TYR  14  -0.837   0.436   0.436
   45    HA   TYR  14           HA       TYR  14  -3.459   0.941   0.941
   46   1HB   TYR  14           HB2      TYR  14  -0.851   0.895   0.895
   47   2HB   TYR  14           HB1      TYR  14  -2.457   0.423   0.423
   48    HD1  TYR  14           HD2      TYR  14  -3.035  -1.244  -1.244
   49    HD2  TYR  14           HD1      TYR  14   0.184  -1.209  -1.209
   50    HE1  TYR  14           HE2      TYR  14  -2.517  -3.571  -3.571
   51    HE2  TYR  14           HE1      TYR  14   0.696  -3.538  -3.538
   52    HH   TYR  14           HH       TYR  14  -1.248  -5.582  -5.582
   53    H    ASP  15           HN       ASP  15  -4.014   3.015   3.015
   54    HA   ASP  15           HA       ASP  15  -2.653   5.263   5.263
   55   1HB   ASP  15           HB2      ASP  15  -3.971   6.453   6.453
   56   2HB   ASP  15           HB1      ASP  15  -4.862   5.699   5.699
   57    H    TYR  16           HN       TYR  16  -0.967   6.498   6.498
   58    HA   TYR  16           HA       TYR  16   0.292   5.591   5.591
   59   1HB   TYR  16           HB2      TYR  16   1.704   5.436   5.436
   60   2HB   TYR  16           HB1      TYR  16   1.473   7.157   7.157
   61    HD1  TYR  16           HD1      TYR  16   1.698   6.026   6.026
   62    HD2  TYR  16           HD2      TYR  16   3.958   7.466   7.466
   63    HE1  TYR  16           HE1      TYR  16   3.576   6.509   6.509
   64    HE2  TYR  16           HE2      TYR  16   5.838   7.951   7.951
   65    HH   TYR  16           HH       TYR  16   5.656   8.323   8.323
   66    H    GLU  17           HN       GLU  17  -0.275   6.883   6.883
   67    HA   GLU  17           HA       GLU  17  -0.566   9.814   9.814
   68   1HB   GLU  17           HB2      GLU  17  -1.814   9.646   9.646
   69   2HB   GLU  17           HB1      GLU  17  -2.647   9.148   9.148
   70   1HG   GLU  17           HG2      GLU  17  -2.548   6.912   6.912
   71   2HG   GLU  17           HG1      GLU  17  -1.018   7.081   7.081
   72    H    SER  18           HN       SER  18   1.950   9.501   9.501
   73    HA   SER  18           HA       SER  18   3.233   8.893   8.893
   74   1HB   SER  18           HB2      SER  18   4.340   9.550   9.550
   75   2HB   SER  18           HB1      SER  18   3.974  11.229  11.229
   76    HG   SER  18           HG       SER  18   5.107  10.814  10.814
   77    H    ARG  19           HN       ARG  19   4.040  10.370  10.370
   78    HA   ARG  19           HA       ARG  19   2.082  12.570  12.570
   79   1HB   ARG  19           HB2      ARG  19   3.673  11.213  11.213
   80   2HB   ARG  19           HB1      ARG  19   2.122  12.044  12.044
   81   1HG   ARG  19           HG2      ARG  19   1.113  10.038  10.038
   82   2HG   ARG  19           HG1      ARG  19   1.717   9.948   9.948
   83   1HD   ARG  19           HD2      ARG  19   2.663   8.022   8.022
   84   2HD   ARG  19           HD1      ARG  19   3.949   9.178   9.178
   85    HE   ARG  19           HE       ARG  19   2.106   9.119   9.119
   86   1HH1  ARG  19          HH21      ARG  19   4.551   7.284   7.284
   87   2HH1  ARG  19          HH22      ARG  19   5.031   6.433   6.433
   88   1HH2  ARG  19          HH11      ARG  19   2.726   8.013   8.013
   89   2HH2  ARG  19          HH12      ARG  19   4.000   6.844   6.844
   90    H    THR  20           HN       THR  20   4.792  12.560  12.560
   91    HA   THR  20           HA       THR  20   5.874  14.870  14.870
   92    HB   THR  20           HB       THR  20   7.297  13.218  13.218
   93    HG1  THR  20           HG1      THR  20   9.271  13.573  13.573
   94   1HG2  THR  20          HG23      THR  20   7.355  12.005  12.005
   95   2HG2  THR  20          HG22      THR  20   8.323  11.433  11.433
   96   3HG2  THR  20          HG21      THR  20   6.564  11.332  11.332
   97    H    GLU  21           HN       GLU  21   7.431  16.115  16.115
   98    HA   GLU  21           HA       GLU  21   6.451  16.522  16.522
   99   1HB   GLU  21           HB2      GLU  21   7.691  18.268  18.268
  100   2HB   GLU  21           HB1      GLU  21   9.132  17.252  17.252
  101   1HG   GLU  21           HG2      GLU  21   8.167  17.430  17.430
  102   2HG   GLU  21           HG1      GLU  21   8.379  19.050  19.050
  103    H    THR  22           HN       THR  22   9.296  14.731  14.731
  104    HA   THR  22           HA       THR  22  10.440  14.020  14.020
  105    HB   THR  22           HB       THR  22  10.599  11.687  11.687
  106    HG1  THR  22           HG1      THR  22  11.242  13.044  13.044
  107   1HG2  THR  22          HG23      THR  22  12.290  13.529  13.529
  108   2HG2  THR  22          HG22      THR  22  12.561  13.798  13.798
  109   3HG2  THR  22          HG21      THR  22  12.807  12.194  12.194
  110    H    ASP  23           HN       ASP  23   9.967  12.479  12.479
  111    HA   ASP  23           HA       ASP  23   8.652  11.007  11.007
  112   1HB   ASP  23           HB2      ASP  23   7.582  10.169  10.169
  113   2HB   ASP  23           HB1      ASP  23   7.570   9.212   9.212
  114    H    LEU  24           HN       LEU  24   6.832  11.550  11.550
  115    HA   LEU  24           HA       LEU  24   4.844  13.315  13.315
  116   1HB   LEU  24           HB2      LEU  24   4.729  12.301  12.301
  117   2HB   LEU  24           HB1      LEU  24   4.046  13.786  13.786
  118    HG   LEU  24           HG       LEU  24   7.020  13.231  13.231
  119   1HD1  LEU  24          HD13      LEU  24   5.118  14.353  14.353
  120   2HD1  LEU  24          HD12      LEU  24   6.695  15.127  15.127
  121   3HD1  LEU  24          HD11      LEU  24   6.590  13.416  13.416
  122   1HD2  LEU  24          HD23      LEU  24   5.317  15.336  15.336
  123   2HD2  LEU  24          HD22      LEU  24   7.031  15.024  15.024
  124   3HD2  LEU  24          HD21      LEU  24   6.522  15.964  15.964
  125    H    SER  25           HN       SER  25   2.539  12.786  12.786
  126    HA   SER  25           HA       SER  25   2.098   9.860   9.860
  127   1HB   SER  25           HB2      SER  25  -0.243  11.367  11.367
  128   2HB   SER  25           HB1      SER  25   0.813  10.483  10.483
  129    HG   SER  25           HG       SER  25   0.492  13.000  13.000
  130    H    PHE  26           HN       PHE  26   0.659   8.754   8.754
  131    HA   PHE  26           HA       PHE  26  -0.683  10.392  10.392
  132   1HB   PHE  26           HB2      PHE  26  -0.316   8.380   8.380
  133   2HB   PHE  26           HB1      PHE  26   1.130   9.305   9.305
  134    HD1  PHE  26           HD2      PHE  26  -0.777   6.235   6.235
  135    HD2  PHE  26           HD1      PHE  26   2.917   8.294   8.294
  136    HE1  PHE  26           HE2      PHE  26   0.254   4.183   4.183
  137    HE2  PHE  26           HE1      PHE  26   3.947   6.241   6.241
  138    HZ   PHE  26           HZ       PHE  26   2.615   4.184   4.184
  139    H    LYS  27           HN       LYS  27  -2.342   8.750   8.750
  140    HA   LYS  27           HA       LYS  27  -3.831   7.347   7.347
  141   1HB   LYS  27           HB2      LYS  27  -4.796   9.589   9.589
  142   2HB   LYS  27           HB1      LYS  27  -5.164   8.730   8.730
  143   1HG   LYS  27           HG2      LYS  27  -6.692   7.296   7.296
  144   2HG   LYS  27           HG1      LYS  27  -5.995   7.566   7.566
  145   1HD   LYS  27           HD2      LYS  27  -6.831   9.902   9.902
  146   2HD   LYS  27           HD1      LYS  27  -7.561   9.595   9.595
  147   1HE   LYS  27           HE2      LYS  27  -8.204   7.881   7.881
  148   2HE   LYS  27           HE1      LYS  27  -9.092   9.367   9.367
  149   1HZ   LYS  27           HZ1      LYS  27  -9.115   8.191   8.191
  150   2HZ   LYS  27           HZ3      LYS  27  -9.139   6.823   6.823
  151   3HZ   LYS  27           HZ2      LYS  27 -10.348   8.005   8.005
  152    H    LYS  28           HN       LYS  28  -5.559   5.831   5.831
  153    HA   LYS  28           HA       LYS  28  -4.155   3.904   3.904
  154   1HB   LYS  28           HB2      LYS  28  -5.865   3.093   3.093
  155   2HB   LYS  28           HB1      LYS  28  -7.062   4.200   4.200
  156   1HG   LYS  28           HG2      LYS  28  -7.513   2.050   2.050
  157   2HG   LYS  28           HG1      LYS  28  -6.740   3.004   3.004
  158   1HD   LYS  28           HD2      LYS  28  -4.597   1.941   1.941
  159   2HD   LYS  28           HD1      LYS  28  -5.266   1.089   1.089
  160   1HE   LYS  28           HE2      LYS  28  -6.411   0.762   0.762
  161   2HE   LYS  28           HE1      LYS  28  -5.093  -0.250  -0.250
  162   1HZ   LYS  28           HZ2      LYS  28  -6.595  -0.669  -0.669
  163   2HZ   LYS  28           HZ1      LYS  28  -7.852  -0.032  -0.032
  164   3HZ   LYS  28           HZ3      LYS  28  -7.020  -1.421  -1.421
  165    H    GLY  29           HN       GLY  29  -4.494   3.366   3.366
  166   1HA   GLY  29           HA2      GLY  29  -5.176   3.716   3.716
  167   2HA   GLY  29           HA1      GLY  29  -6.350   4.895   4.895
  168    H    GLU  30           HN       GLU  30  -3.527   5.794   5.794
  169    HA   GLU  30           HA       GLU  30  -3.121   7.940   7.940
  170   1HB   GLU  30           HB2      GLU  30  -3.119   8.523   8.523
  171   2HB   GLU  30           HB1      GLU  30  -1.801   7.390   7.390
  172   1HG   GLU  30           HG2      GLU  30  -0.225   8.786   8.786
  173   2HG   GLU  30           HG1      GLU  30  -1.322   9.389   9.389
  174    H    ARG  31           HN       ARG  31  -1.463   7.984   7.984
  175    HA   ARG  31           HA       ARG  31   0.341   5.651   5.651
  176   1HB   ARG  31           HB2      ARG  31   0.333   7.986   7.986
  177   2HB   ARG  31           HB1      ARG  31   0.851   6.327   6.327
  178   1HG   ARG  31           HG2      ARG  31  -1.221   5.904   5.904
  179   2HG   ARG  31           HG1      ARG  31  -1.819   6.128   6.128
  180   1HD   ARG  31           HD2      ARG  31  -1.995   8.580   8.580
  181   2HD   ARG  31           HD1      ARG  31  -1.511   8.282   8.282
  182    HE   ARG  31           HE       ARG  31  -4.140   7.744   7.744
  183   1HH1  ARG  31          HH21      ARG  31  -1.786   6.893   6.893
  184   2HH1  ARG  31          HH22      ARG  31  -2.949   6.233   6.233
  185   1HH2  ARG  31          HH11      ARG  31  -5.664   6.887   6.887
  186   2HH2  ARG  31          HH12      ARG  31  -5.140   6.228   6.228
  187    H    LEU  32           HN       LEU  32   2.638   5.844   5.844
  188    HA   LEU  32           HA       LEU  32   3.665   8.479   8.479
  189   1HB   LEU  32           HB2      LEU  32   4.264   5.720   5.720
  190   2HB   LEU  32           HB1      LEU  32   5.198   7.160   7.160
  191    HG   LEU  32           HG       LEU  32   2.358   7.677   7.677
  192   1HD1  LEU  32          HD11      LEU  32   3.512   5.383   5.383
  193   2HD1  LEU  32          HD13      LEU  32   1.972   6.180   6.180
  194   3HD1  LEU  32          HD12      LEU  32   2.195   5.268   5.268
  195   1HD2  LEU  32          HD21      LEU  32   4.862   7.846   7.846
  196   2HD2  LEU  32          HD23      LEU  32   3.741   9.127   9.127
  197   3HD2  LEU  32          HD22      LEU  32   3.306   7.998   7.998
  198    H    GLN  33           HN       GLN  33   5.551   9.120   9.120
  199    HA   GLN  33           HA       GLN  33   6.542   7.498   7.498
  200   1HB   GLN  33           HB2      GLN  33   6.408   9.932   9.932
  201   2HB   GLN  33           HB1      GLN  33   7.497  10.149  10.149
  202   1HG   GLN  33           HG2      GLN  33   9.296   9.873   9.873
  203   2HG   GLN  33           HG1      GLN  33   8.674   8.330   8.330
  204   1HE2  GLN  33          HE22      GLN  33   8.747  11.292  11.292
  205   2HE2  GLN  33          HE21      GLN  33   9.777  11.101  11.101
  206    H    ILE  34           HN       ILE  34   7.267   5.671   5.671
  207    HA   ILE  34           HA       ILE  34   9.144   5.726   5.726
  208    HB   ILE  34           HB       ILE  34   9.196   3.801   3.801
  209   1HG1  ILE  34          HG12      ILE  34   6.947   3.905   3.905
  210   2HG1  ILE  34          HG11      ILE  34   7.704   2.426   2.426
  211   1HG2  ILE  34          HG21      ILE  34  10.223   3.695   3.695
  212   2HG2  ILE  34          HG23      ILE  34   9.997   2.246   2.246
  213   3HG2  ILE  34          HG22      ILE  34  11.144   3.485   3.485
  214   1HD1  ILE  34          HD13      ILE  34   7.542   5.035   5.035
  215   2HD1  ILE  34          HD12      ILE  34   6.511   3.632   3.632
  216   3HD1  ILE  34          HD11      ILE  34   8.242   3.529   3.529
  217    H    VAL  35           HN       VAL  35  11.431   5.822   5.822
  218    HA   VAL  35           HA       VAL  35  12.747   6.842   6.842
  219    HB   VAL  35           HB       VAL  35  13.119   7.693   7.693
  220   1HG1  VAL  35          HG12      VAL  35  15.000   7.682   7.682
  221   2HG1  VAL  35          HG11      VAL  35  14.759   9.287   9.287
  222   3HG1  VAL  35          HG13      VAL  35  15.305   7.959   7.959
  223   1HG2  VAL  35          HG22      VAL  35  11.895   8.829   8.829
  224   2HG2  VAL  35          HG21      VAL  35  11.519   9.140   9.140
  225   3HG2  VAL  35          HG23      VAL  35  12.891   9.943   9.943
  226    H    ASN  36           HN       ASN  36  13.030   4.901   4.901
  227    HA   ASN  36           HA       ASN  36  15.276   3.439   3.439
  228   1HB   ASN  36           HB2      ASN  36  15.999   5.268   5.268
  229   2HB   ASN  36           HB1      ASN  36  15.468   4.060   4.060
  230   1HD2  ASN  36          HD22      ASN  36  18.613   2.493   2.493
  231   2HD2  ASN  36          HD21      ASN  36  17.411   3.131   3.131
  232    H    ASN  37           HN       ASN  37  15.360   1.238   1.238
  233    HA   ASN  37           HA       ASN  37  13.398   0.296   0.296
  234   1HB   ASN  37           HB2      ASN  37  12.867  -1.566  -1.566
  235   2HB   ASN  37           HB1      ASN  37  12.005  -0.028  -0.028
  236   1HD2  ASN  37          HD22      ASN  37  15.098  -0.378  -0.378
  237   2HD2  ASN  37          HD21      ASN  37  15.311  -0.968  -0.968
  238    H    THR  38           HN       THR  38  16.198   0.388   0.388
  239    HA   THR  38           HA       THR  38  16.837  -2.529  -2.529
  240    HB   THR  38           HB       THR  38  18.086  -1.401  -1.401
  241    HG1  THR  38           HG1      THR  38  19.673  -2.639  -2.639
  242   1HG2  THR  38          HG23      THR  38  18.316   0.647   0.647
  243   2HG2  THR  38          HG22      THR  38  19.933   0.147   0.147
  244   3HG2  THR  38          HG21      THR  38  18.776   0.715   0.715
  245    H    GLU  39           HN       GLU  39  15.817  -0.699  -0.699
  246    HA   GLU  39           HA       GLU  39  18.151  -0.776  -0.776
  247   1HB   GLU  39           HB2      GLU  39  15.907   1.090   1.090
  248   2HB   GLU  39           HB1      GLU  39  16.185   0.646   0.646
  249   1HG   GLU  39           HG2      GLU  39  18.423   1.526   1.526
  250   2HG   GLU  39           HG1      GLU  39  17.503   2.665   2.665
  251    H    GLY  40           HN       GLY  40  14.799  -0.581  -0.581
  252   1HA   GLY  40           HA2      GLY  40  14.580  -3.427  -3.427
  253   2HA   GLY  40           HA1      GLY  40  14.883  -2.438  -2.438
  254    H    ASP  41           HN       ASP  41  13.105  -1.584  -1.584
  255    HA   ASP  41           HA       ASP  41  10.529  -1.688  -1.688
  256   1HB   ASP  41           HB2      ASP  41  10.799  -1.167  -1.167
  257   2HB   ASP  41           HB1      ASP  41   9.440  -1.870  -1.870
  258    H    TRP  42           HN       TRP  42  12.434   0.456   0.456
  259    HA   TRP  42           HA       TRP  42  10.639   2.709   2.709
  260   1HB   TRP  42           HB2      TRP  42  13.303   2.476   2.476
  261   2HB   TRP  42           HB1      TRP  42  12.579   4.048   4.048
  262    HD1  TRP  42           HD1      TRP  42  12.446   1.244   1.244
  263    HE1  TRP  42           HE1      TRP  42  10.482   1.689   1.689
  264    HE3  TRP  42           HE3      TRP  42  10.286   4.898   4.898
  265    HZ2  TRP  42           HZ2      TRP  42   8.161   3.505   3.505
  266    HZ3  TRP  42           HZ3      TRP  42   8.235   6.017   6.017
  267    HH2  TRP  42           HH2      TRP  42   7.173   5.319   5.319
  268    H    TRP  43           HN       TRP  43  10.609   3.444   3.444
  269    HA   TRP  43           HA       TRP  43  13.246   3.800   3.800
  270   1HB   TRP  43           HB2      TRP  43  10.522   3.388   3.388
  271   2HB   TRP  43           HB1      TRP  43  12.062   3.516   3.516
  272    HD1  TRP  43           HD1      TRP  43  13.872   1.606   1.606
  273    HE1  TRP  43           HE1      TRP  43  13.331  -0.865  -0.865
  274    HE3  TRP  43           HE3      TRP  43   9.194   1.858   1.858
  275    HZ2  TRP  43           HZ2      TRP  43  11.037  -2.610  -2.610
  276    HZ3  TRP  43           HZ3      TRP  43   7.800  -0.142  -0.142
  277    HH2  TRP  43           HH2      TRP  43   8.722  -2.375  -2.375
  278    H    LEU  44           HN       LEU  44  12.836   5.569   5.569
  279    HA   LEU  44           HA       LEU  44  11.669   7.923   7.923
  280   1HB   LEU  44           HB2      LEU  44  14.074   8.074   8.074
  281   2HB   LEU  44           HB1      LEU  44  13.658   7.829   7.829
  282    HG   LEU  44           HG       LEU  44  11.979   9.873   9.873
  283   1HD1  LEU  44          HD12      LEU  44  14.058   9.795   9.795
  284   2HD1  LEU  44          HD11      LEU  44  13.975  11.343  11.343
  285   3HD1  LEU  44          HD13      LEU  44  12.543  10.699  10.699
  286   1HD2  LEU  44          HD21      LEU  44  14.579   9.549   9.549
  287   2HD2  LEU  44          HD23      LEU  44  13.187  10.499  10.499
  288   3HD2  LEU  44          HD22      LEU  44  14.348  11.183  11.183
  289    H    ALA  45           HN       ALA  45   9.691   8.523   8.523
  290    HA   ALA  45           HA       ALA  45   9.099   8.000   8.000
  291   1HB   ALA  45           HB2      ALA  45   7.370   7.883   7.883
  292   2HB   ALA  45           HB1      ALA  45   6.648   8.158   8.158
  293   3HB   ALA  45           HB3      ALA  45   7.558   6.679   6.679
  294    H    HIS  46           HN       HIS  46   8.407   9.726   9.726
  295    HA   HIS  46           HA       HIS  46   8.308  12.367  12.367
  296   1HB   HIS  46           HB2      HIS  46   9.930  12.597  12.597
  297   2HB   HIS  46           HB1      HIS  46   9.146  11.452  11.452
  298    HD1  HIS  46           HD1      HIS  46   9.148  15.009  15.009
  299    HD2  HIS  46           HD2      HIS  46   6.996  12.518  12.518
  300    HE1  HIS  46           HE1      HIS  46   7.866  16.470  16.470
  301    H    SER  47           HN       SER  47   6.338  13.318  13.318
  302    HA   SER  47           HA       SER  47   3.978  12.080  12.080
  303   1HB   SER  47           HB2      SER  47   4.426  14.638  14.638
  304   2HB   SER  47           HB1      SER  47   2.833  14.135  14.135
  305    HG   SER  47           HG       SER  47   2.936  12.348  12.348
  306    H    LEU  48           HN       LEU  48   2.633  12.931  12.931
  307    HA   LEU  48           HA       LEU  48   4.044  14.726  14.726
  308   1HB   LEU  48           HB2      LEU  48   1.390  13.386  13.386
  309   2HB   LEU  48           HB1      LEU  48   2.615  13.877  13.877
  310    HG   LEU  48           HG       LEU  48   3.027  11.709  11.709
  311   1HD1  LEU  48          HD13      LEU  48   1.670  11.679  11.679
  312   2HD1  LEU  48          HD12      LEU  48   3.038  10.566  10.566
  313   3HD1  LEU  48          HD11      LEU  48   1.750  10.422  10.422
  314   1HD2  LEU  48          HD22      LEU  48   4.857  13.188  13.188
  315   2HD2  LEU  48          HD21      LEU  48   5.162  11.618  11.618
  316   3HD2  LEU  48          HD23      LEU  48   4.662  11.709  11.709
  317    H    THR  49           HN       THR  49   1.720  14.929  14.929
  318    HA   THR  49           HA       THR  49   0.020  16.962  16.962
  319    HB   THR  49           HB       THR  49   0.121  17.048  17.048
  320    HG1  THR  49           HG1      THR  49  -0.681  14.556  14.556
  321   1HG2  THR  49          HG22      THR  49  -1.792  16.778  16.778
  322   2HG2  THR  49          HG21      THR  49  -2.258  15.885  15.885
  323   3HG2  THR  49          HG23      THR  49  -1.965  17.621  17.621
  324    H    THR  50           HN       THR  50   2.054  17.335  17.335
  325    HA   THR  50           HA       THR  50   2.469  20.162  20.162
  326    HB   THR  50           HB       THR  50   4.164  19.278  19.278
  327    HG1  THR  50           HG1      THR  50   2.416  18.441  18.441
  328   1HG2  THR  50          HG21      THR  50   2.405  21.353  21.353
  329   2HG2  THR  50          HG23      THR  50   1.657  20.547  20.547
  330   3HG2  THR  50          HG22      THR  50   3.307  21.159  21.159
  331    H    GLY  51           HN       GLY  51   4.133  17.168  17.168
  332   1HA   GLY  51           HA2      GLY  51   6.075  16.765  16.765
  333   2HA   GLY  51           HA1      GLY  51   6.209  18.503  18.503
  334    H    GLN  52           HN       GLN  52   6.025  16.854  16.854
  335    HA   GLN  52           HA       GLN  52   8.725  17.983  17.983
  336   1HB   GLN  52           HB2      GLN  52   6.301  17.432  17.432
  337   2HB   GLN  52           HB1      GLN  52   7.902  17.625  17.625
  338   1HG   GLN  52           HG2      GLN  52   7.457  19.718  19.718
  339   2HG   GLN  52           HG1      GLN  52   6.111  19.675  19.675
  340   1HE2  GLN  52          HE22      GLN  52   9.713  21.044  21.044
  341   2HE2  GLN  52          HE21      GLN  52   9.418  20.609  20.609
  342    H    THR  53           HN       THR  53   9.671  16.569  16.569
  343    HA   THR  53           HA       THR  53   9.810  13.805  13.805
  344    HB   THR  53           HB       THR  53  11.587  15.466  15.466
  345    HG1  THR  53           HG1      THR  53  12.170  13.812  13.812
  346   1HG2  THR  53          HG23      THR  53  11.517  12.456  12.456
  347   2HG2  THR  53          HG22      THR  53  12.992  13.319  13.319
  348   3HG2  THR  53          HG21      THR  53  11.570  13.426  13.426
  349    H    GLY  54           HN       GLY  54   9.573  11.979  11.979
  350   1HA   GLY  54           HA2      GLY  54   8.795  12.280  12.280
  351   2HA   GLY  54           HA1      GLY  54   7.385  12.025  12.025
  352    H    TYR  55           HN       TYR  55  10.027  10.488  10.488
  353    HA   TYR  55           HA       TYR  55  10.231   8.121   8.121
  354   1HB   TYR  55           HB2      TYR  55  10.449   7.933   7.933
  355   2HB   TYR  55           HB1      TYR  55  11.485   7.240   7.240
  356    HD1  TYR  55           HD1      TYR  55  12.809   9.017   9.017
  357    HD2  TYR  55           HD2      TYR  55  11.210   9.823   9.823
  358    HE1  TYR  55           HE1      TYR  55  14.390  10.879  10.879
  359    HE2  TYR  55           HE2      TYR  55  12.774  11.688  11.688
  360    HH   TYR  55           HH       TYR  55  14.904  12.436  12.436
  361    H    ILE  56           HN       ILE  56   9.162   6.046   6.046
  362    HA   ILE  56           HA       ILE  56   6.661   6.234   6.234
  363    HB   ILE  56           HB       ILE  56   5.505   4.961   4.961
  364   1HG1  ILE  56          HG12      ILE  56   6.934   5.846   5.846
  365   2HG1  ILE  56          HG11      ILE  56   8.193   5.269   5.269
  366   1HG2  ILE  56          HG23      ILE  56   5.488   7.534   7.534
  367   2HG2  ILE  56          HG22      ILE  56   6.458   7.644   7.644
  368   3HG2  ILE  56          HG21      ILE  56   4.836   6.953   6.953
  369   1HD1  ILE  56          HD13      ILE  56   6.641   3.198   3.198
  370   2HD1  ILE  56          HD12      ILE  56   5.878   3.748   3.748
  371   3HD1  ILE  56          HD11      ILE  56   7.590   3.323   3.323
  372    HA   PRO  57           HA       PRO  57   8.069   2.359   2.359
  373   1HB   PRO  57           HB2      PRO  57   5.410   1.551   1.551
  374   2HB   PRO  57           HB1      PRO  57   6.656   2.227   2.227
  375   1HG   PRO  57           HG2      PRO  57   4.244   3.512   3.512
  376   2HG   PRO  57           HG1      PRO  57   5.481   4.181   4.181
  377   1HD   PRO  57           HD1      PRO  57   4.980   4.837   4.837
  378   2HD   PRO  57           HD2      PRO  57   6.206   5.529   5.529
  379    H    SER  58           HN       SER  58   8.405   0.454   0.454
  380    HA   SER  58           HA       SER  58   7.063  -0.096  -0.096
  381   1HB   SER  58           HB2      SER  58   8.617  -1.752  -1.752
  382   2HB   SER  58           HB1      SER  58   9.382  -0.955  -0.955
  383    HG   SER  58           HG       SER  58   8.109  -2.377  -2.377
  384    H    ASN  59           HN       ASN  59   6.442  -1.069  -1.069
  385    HA   ASN  59           HA       ASN  59   4.679  -3.265  -3.265
  386   1HB   ASN  59           HB2      ASN  59   3.889  -2.843  -2.843
  387   2HB   ASN  59           HB1      ASN  59   5.588  -3.260  -3.260
  388   1HD2  ASN  59          HD22      ASN  59   6.768  -0.089  -0.089
  389   2HD2  ASN  59          HD21      ASN  59   7.180  -1.575  -1.575
  390    H    TYR  60           HN       TYR  60   4.341   0.154   0.154
  391    HA   TYR  60           HA       TYR  60   1.376  -0.037  -0.037
  392   1HB   TYR  60           HB2      TYR  60   3.357   2.205   2.205
  393   2HB   TYR  60           HB1      TYR  60   1.712   2.567   2.567
  394    HD1  TYR  60           HD1      TYR  60   1.877  -0.329  -0.329
  395    HD2  TYR  60           HD2      TYR  60   1.728   3.918   3.918
  396    HE1  TYR  60           HE1      TYR  60   1.122  -0.432  -0.432
  397    HE2  TYR  60           HE2      TYR  60   0.970   3.814   3.814
  398    HH   TYR  60           HH       TYR  60   0.441   2.523   2.523
  399    H    VAL  61           HN       VAL  61   3.819  -0.217  -0.217
  400    HA   VAL  61           HA       VAL  61   1.900   0.601   0.601
  401    HB   VAL  61           HB       VAL  61   3.452   2.366   2.366
  402   1HG1  VAL  61          HG12      VAL  61   5.295   0.288   0.288
  403   2HG1  VAL  61          HG11      VAL  61   6.027   1.469   1.469
  404   3HG1  VAL  61          HG13      VAL  61   5.220   2.008   2.008
  405   1HG2  VAL  61          HG23      VAL  61   3.217   1.311   1.311
  406   2HG2  VAL  61          HG22      VAL  61   4.832   1.988   1.988
  407   3HG2  VAL  61          HG21      VAL  61   4.580   0.250   0.250
  408    H    ALA  62           HN       ALA  62   2.532  -0.421  -0.421
  409    HA   ALA  62           HA       ALA  62   4.277  -2.701  -2.701
  410   1HB   ALA  62           HB1      ALA  62   2.343  -3.470  -3.470
  411   2HB   ALA  62           HB3      ALA  62   1.358  -3.472  -3.472
  412   3HB   ALA  62           HB2      ALA  62   2.772  -4.521  -4.521
  413    HA   PRO  63           HA       PRO  63   3.644  -1.951  -1.951
  414   1HB   PRO  63           HB2      PRO  63   4.238  -4.650  -4.650
  415   2HB   PRO  63           HB1      PRO  63   5.325  -3.256  -3.256
  416   1HG   PRO  63           HG2      PRO  63   5.360  -5.502  -5.502
  417   2HG   PRO  63           HG1      PRO  63   6.468  -4.126  -4.126
  418   1HD   PRO  63           HD1      PRO  63   4.392  -4.664  -4.664
  419   2HD   PRO  63           HD2      PRO  63   5.507  -3.286  -3.286
  420    H    SER  64           HN       SER  64   1.409  -1.715  -1.715
  421    HA   SER  64           HA       SER  64  -0.327  -4.104  -4.104
  422   1HB   SER  64           HB2      SER  64  -0.734  -1.153  -1.153
  423   2HB   SER  64           HB1      SER  64  -1.987  -2.162  -2.162
  424    HG   SER  64           HG       SER  64  -1.859  -1.607  -1.607
  425   1H    ARG  71           HT2      ARG  71  11.884  -0.927  -0.927
  426   2H    ARG  71           HT1      ARG  71  12.278  -0.076  -0.076
  427   3H    ARG  71           HT3      ARG  71  13.502  -0.818  -0.818
  428    HA   ARG  71           HA       ARG  71  13.486   0.773   0.773
  429   1HB   ARG  71           HB2      ARG  71  13.540   2.906   2.906
  430   2HB   ARG  71           HB1      ARG  71  14.054   1.717   1.717
  431   1HG   ARG  71           HG2      ARG  71  12.389   2.395   2.395
  432   2HG   ARG  71           HG1      ARG  71  11.224   1.849   1.849
  433   1HD   ARG  71           HD2      ARG  71  10.631   4.009   4.009
  434   2HD   ARG  71           HD1      ARG  71  12.207   4.276   4.276
  435    HE   ARG  71           HE       ARG  71  12.778   4.475   4.475
  436   1HH1  ARG  71          HH21      ARG  71  10.364   5.837   5.837
  437   2HH1  ARG  71          HH22      ARG  71  10.215   7.293   7.293
  438   1HH2  ARG  71          HH11      ARG  71  12.592   6.375   6.375
  439   2HH2  ARG  71          HH12      ARG  71  11.472   7.598   7.598
  440    H    ALA  72           HN       ALA  72  11.125  -0.525  -0.525
  441    HA   ALA  72           HA       ALA  72   9.098  -0.172  -0.172
  442   1HB   ALA  72           HB3      ALA  72  10.504   2.418   2.418
  443   2HB   ALA  72           HB2      ALA  72   8.751   2.531   2.531
  444   3HB   ALA  72           HB1      ALA  72   9.672   1.513   1.513
  445    H    LEU  73           HN       LEU  73   8.661  -0.704  -0.704
  446    HA   LEU  73           HA       LEU  73   7.645   1.108   1.108
  447   1HB   LEU  73           HB2      LEU  73   6.552  -1.605  -1.605
  448   2HB   LEU  73           HB1      LEU  73   5.964  -0.703  -0.703
  449    HG   LEU  73           HG       LEU  73   8.772  -1.732  -1.732
  450   1HD1  LEU  73          HD12      LEU  73   6.469  -2.442  -2.442
  451   2HD1  LEU  73          HD11      LEU  73   8.073  -2.530  -2.530
  452   3HD1  LEU  73          HD13      LEU  73   7.703  -3.481  -3.481
  453   1HD2  LEU  73          HD22      LEU  73   7.773   0.503   0.503
  454   2HD2  LEU  73          HD21      LEU  73   9.407   0.172   0.172
  455   3HD2  LEU  73          HD23      LEU  73   8.793  -0.652  -0.652
  456    HA   PRO  74           HA       PRO  74   4.194   3.211   3.211
  457   1HB   PRO  74           HB2      PRO  74   2.420   2.678   2.678
  458   2HB   PRO  74           HB1      PRO  74   3.346   4.147   4.147
  459   1HG   PRO  74           HG2      PRO  74   3.821   2.147   2.147
  460   2HG   PRO  74           HG1      PRO  74   4.738   3.628   3.628
  461   1HD   PRO  74           HD1      PRO  74   5.541   0.917   0.917
  462   2HD   PRO  74           HD2      PRO  74   6.449   2.405   2.405
  463    HA   PRO  75           HA       PRO  75   1.507   0.389   0.389
  464   1HB   PRO  75           HB2      PRO  75  -0.844   2.042   2.042
  465   2HB   PRO  75           HB1      PRO  75   0.200   1.821   1.821
  466   1HG   PRO  75           HG2      PRO  75   0.011   4.139   4.139
  467   2HG   PRO  75           HG1      PRO  75   1.074   3.907   3.907
  468   1HD   PRO  75           HD1      PRO  75   1.792   3.933   3.933
  469   2HD   PRO  75           HD2      PRO  75   2.863   3.719   3.719
  470    H    LEU  76           HN       LEU  76   1.406  -1.222  -1.222
  471    HA   LEU  76           HA       LEU  76  -0.239  -1.039  -1.039
  472   1HB   LEU  76           HB2      LEU  76   0.963  -3.299  -3.299
  473   2HB   LEU  76           HB1      LEU  76  -0.207  -3.662  -3.662
  474    HG   LEU  76           HG       LEU  76   2.101  -1.806  -1.806
  475   1HD1  LEU  76          HD11      LEU  76   2.100  -4.833  -4.833
  476   2HD1  LEU  76          HD13      LEU  76   3.259  -3.880  -3.880
  477   3HD1  LEU  76          HD12      LEU  76   3.220  -3.756  -3.756
  478   1HD2  LEU  76          HD22      LEU  76   0.032  -2.218  -2.218
  479   2HD2  LEU  76          HD21      LEU  76   1.635  -2.284  -2.284
  480   3HD2  LEU  76          HD23      LEU  76   0.784  -3.776  -3.776
  481    HA   PRO  77           HA       PRO  77  -4.363  -1.605  -1.605
  482   1HB   PRO  77           HB2      PRO  77  -4.900  -3.947  -3.947
  483   2HB   PRO  77           HB1      PRO  77  -5.390  -2.275  -2.275
  484   1HG   PRO  77           HG2      PRO  77  -3.368  -3.779  -3.779
  485   2HG   PRO  77           HG1      PRO  77  -3.811  -2.087  -2.087
  486   1HD   PRO  77           HD1      PRO  77  -1.415  -3.133  -3.133
  487   2HD   PRO  77           HD2      PRO  77  -1.845  -1.435  -1.435
  488    H    ARG  78           HN       ARG  78  -4.378  -2.344  -2.344
  489    HA   ARG  78           HA       ARG  78  -3.540  -5.078  -5.078
  490   1HB   ARG  78           HB2      ARG  78  -5.002  -3.363  -3.363
  491   2HB   ARG  78           HB1      ARG  78  -3.607  -4.411  -4.411
  492   1HG   ARG  78           HG2      ARG  78  -2.372  -2.513  -2.513
  493   2HG   ARG  78           HG1      ARG  78  -2.650  -2.505  -2.505
  494   1HD   ARG  78           HD2      ARG  78  -4.649  -1.122  -1.122
  495   2HD   ARG  78           HD1      ARG  78  -4.468  -1.194  -1.194
  496    HE   ARG  78           HE       ARG  78  -2.058  -0.153  -0.153
  497   1HH1  ARG  78          HH21      ARG  78  -5.401   0.601   0.601
  498   2HH1  ARG  78          HH22      ARG  78  -5.139   2.312   2.312
  499   1HH2  ARG  78          HH11      ARG  78  -1.706   2.075   2.075
  500   2HH2  ARG  78          HH12      ARG  78  -3.050   3.145   3.145
  501    H    TYR  79           HN       TYR  79  -5.241  -6.124  -6.124
  502    HA   TYR  79           HA       TYR  79  -7.316  -7.282  -7.282
  503   1HB   TYR  79           HB2      TYR  79  -8.480  -7.285  -7.285
  504   2HB   TYR  79           HB1      TYR  79  -7.101  -8.313  -8.313
  505    HD1  TYR  79           HD2      TYR  79  -7.027  -4.624  -4.624
  506    HD2  TYR  79           HD1      TYR  79  -6.028  -8.413  -8.413
  507    HE1  TYR  79           HE2      TYR  79  -5.720  -3.515  -3.515
  508    HE2  TYR  79           HE1      TYR  79  -4.718  -7.303  -7.303
  509    HH   TYR  79           HH       TYR  79  -4.249  -5.342  -5.342

  Start of MODEL   10
    1   1H    THR   9           HT3      THR   9   6.471   2.443   2.443
    2   2H    THR   9           HT2      THR   9   6.598   3.716   3.716
    3   3H    THR   9           HT1      THR   9   7.394   3.817   3.817
    4    HA   THR   9           HA       THR   9   5.646   4.908   4.908
    5    HB   THR   9           HB       THR   9   4.096   3.909   3.909
    6    HG1  THR   9           HG1      THR   9   5.709   5.087   5.087
    7   1HG2  THR   9          HG21      THR   9   3.033   5.015   5.015
    8   2HG2  THR   9          HG23      THR   9   3.553   6.494   6.494
    9   3HG2  THR   9          HG22      THR   9   2.435   5.393   5.393
   10    H    PHE  10           HN       PHE  10   5.178   3.768   3.768
   11    HA   PHE  10           HA       PHE  10   3.683   1.217   1.217
   12   1HB   PHE  10           HB2      PHE  10   5.172   2.619   2.619
   13   2HB   PHE  10           HB1      PHE  10   3.997   1.363   1.363
   14    HD1  PHE  10           HD2      PHE  10   5.789   1.201   1.201
   15    HD2  PHE  10           HD1      PHE  10   5.824  -0.098  -0.098
   16    HE1  PHE  10           HE2      PHE  10   7.439  -0.527  -0.527
   17    HE2  PHE  10           HE1      PHE  10   7.472  -1.827  -1.827
   18    HZ   PHE  10           HZ       PHE  10   8.282  -2.043  -2.043
   19    H    VAL  11           HN       VAL  11   2.115   1.166   1.166
   20    HA   VAL  11           HA       VAL  11   0.388   3.596   3.596
   21    HB   VAL  11           HB       VAL  11  -0.997   0.992   0.992
   22   1HG1  VAL  11          HG11      VAL  11  -1.459   3.701   3.701
   23   2HG1  VAL  11          HG13      VAL  11  -2.294   2.379   2.379
   24   3HG1  VAL  11          HG12      VAL  11  -2.552   2.657   2.657
   25   1HG2  VAL  11          HG21      VAL  11   0.604   1.703   1.703
   26   2HG2  VAL  11          HG23      VAL  11   0.230   0.116   0.116
   27   3HG2  VAL  11          HG22      VAL  11  -0.992   0.995   0.995
   28    H    ALA  12           HN       ALA  12  -0.794   4.041   4.041
   29    HA   ALA  12           HA       ALA  12   0.495   3.048   3.048
   30   1HB   ALA  12           HB1      ALA  12  -1.887   4.881   4.881
   31   2HB   ALA  12           HB3      ALA  12  -1.142   4.544   4.544
   32   3HB   ALA  12           HB2      ALA  12  -0.222   5.376   5.376
   33    H    LEU  13           HN       LEU  13  -0.010   0.961   0.961
   34    HA   LEU  13           HA       LEU  13  -2.610  -0.218  -0.218
   35   1HB   LEU  13           HB2      LEU  13  -0.118  -1.053  -1.053
   36   2HB   LEU  13           HB1      LEU  13  -1.608  -1.957  -1.957
   37    HG   LEU  13           HG       LEU  13  -0.337  -1.409  -1.409
   38   1HD1  LEU  13          HD12      LEU  13  -0.570  -3.931  -3.931
   39   2HD1  LEU  13          HD11      LEU  13   0.024  -3.878  -3.878
   40   3HD1  LEU  13          HD13      LEU  13   0.917  -3.062  -3.062
   41   1HD2  LEU  13          HD21      LEU  13  -2.921  -2.657  -2.657
   42   2HD2  LEU  13          HD23      LEU  13  -2.618  -1.570  -1.570
   43   3HD2  LEU  13          HD22      LEU  13  -2.125  -3.260  -3.260
   44    H    TYR  14           HN       TYR  14  -0.994   1.130   1.130
   45    HA   TYR  14           HA       TYR  14  -3.671   1.125   1.125
   46   1HB   TYR  14           HB2      TYR  14  -0.959   0.580   0.580
   47   2HB   TYR  14           HB1      TYR  14  -2.418   0.878   0.878
   48    HD1  TYR  14           HD1      TYR  14  -1.445  -1.165  -1.165
   49    HD2  TYR  14           HD2      TYR  14  -3.551  -1.044  -1.044
   50    HE1  TYR  14           HE1      TYR  14  -2.127  -3.495  -3.495
   51    HE2  TYR  14           HE2      TYR  14  -4.226  -3.383  -3.383
   52    HH   TYR  14           HH       TYR  14  -4.387  -5.068  -5.068
   53    H    ASP  15           HN       ASP  15  -4.063   2.946   2.946
   54    HA   ASP  15           HA       ASP  15  -2.973   5.427   5.427
   55   1HB   ASP  15           HB2      ASP  15  -4.506   4.916   4.916
   56   2HB   ASP  15           HB1      ASP  15  -4.297   6.475   6.475
   57    H    TYR  16           HN       TYR  16  -1.185   6.522   6.522
   58    HA   TYR  16           HA       TYR  16   0.179   5.496   5.496
   59   1HB   TYR  16           HB2      TYR  16   1.536   5.121   5.121
   60   2HB   TYR  16           HB1      TYR  16   1.326   6.796   6.796
   61    HD1  TYR  16           HD1      TYR  16   1.940   5.560   5.560
   62    HD2  TYR  16           HD2      TYR  16   3.569   7.617   7.617
   63    HE1  TYR  16           HE1      TYR  16   3.883   6.212   6.212
   64    HE2  TYR  16           HE2      TYR  16   5.511   8.270   8.270
   65    HH   TYR  16           HH       TYR  16   6.033   8.603   8.603
   66    H    GLU  17           HN       GLU  17  -0.468   6.899   6.899
   67    HA   GLU  17           HA       GLU  17  -0.767   9.762   9.762
   68   1HB   GLU  17           HB2      GLU  17  -0.794   8.494   8.494
   69   2HB   GLU  17           HB1      GLU  17  -1.686   9.897   9.897
   70   1HG   GLU  17           HG2      GLU  17  -2.153   7.017   7.017
   71   2HG   GLU  17           HG1      GLU  17  -3.217   8.012   8.012
   72    H    SER  18           HN       SER  18   1.701   9.584   9.584
   73    HA   SER  18           HA       SER  18   3.816   9.282   9.282
   74   1HB   SER  18           HB2      SER  18   5.082  10.357  10.357
   75   2HB   SER  18           HB1      SER  18   3.614  10.214  10.214
   76    HG   SER  18           HG       SER  18   4.475  12.420  12.420
   77    H    ARG  19           HN       ARG  19   4.839  10.629  10.629
   78    HA   ARG  19           HA       ARG  19   3.296  13.061  13.061
   79   1HB   ARG  19           HB2      ARG  19   3.760  10.635  10.635
   80   2HB   ARG  19           HB1      ARG  19   4.549  11.992  11.992
   81   1HG   ARG  19           HG2      ARG  19   2.395  12.131  12.131
   82   2HG   ARG  19           HG1      ARG  19   2.271  13.224  13.224
   83   1HD   ARG  19           HD2      ARG  19   1.427  11.278  11.278
   84   2HD   ARG  19           HD1      ARG  19   1.380  10.330  10.330
   85    HE   ARG  19           HE       ARG  19  -0.507  12.424  12.424
   86   1HH1  ARG  19          HH21      ARG  19   1.020  10.678  10.678
   87   2HH1  ARG  19          HH22      ARG  19  -0.267  10.952  10.952
   88   1HH2  ARG  19          HH11      ARG  19  -2.188  12.788  12.788
   89   2HH2  ARG  19          HH12      ARG  19  -2.082  12.145  12.145
   90    H    THR  20           HN       THR  20   6.052  12.161  12.161
   91    HA   THR  20           HA       THR  20   7.777  13.947  13.947
   92    HB   THR  20           HB       THR  20   8.782  12.194  12.194
   93    HG1  THR  20           HG1      THR  20   7.950  11.478  11.478
   94   1HG2  THR  20          HG23      THR  20   9.895  13.898  13.898
   95   2HG2  THR  20          HG22      THR  20  10.471  12.245  12.245
   96   3HG2  THR  20          HG21      THR  20  10.720  13.071  13.071
   97    H    GLU  21           HN       GLU  21   8.934  15.647  15.647
   98    HA   GLU  21           HA       GLU  21   7.522  16.947  16.947
   99   1HB   GLU  21           HB2      GLU  21   9.235  18.608  18.608
  100   2HB   GLU  21           HB1      GLU  21   9.011  18.021  18.021
  101   1HG   GLU  21           HG2      GLU  21  11.224  17.581  17.581
  102   2HG   GLU  21           HG1      GLU  21  10.908  16.289  16.289
  103    H    THR  22           HN       THR  22   9.912  14.467  14.467
  104    HA   THR  22           HA       THR  22  10.809  15.076  15.076
  105    HB   THR  22           HB       THR  22  11.964  12.744  12.744
  106    HG1  THR  22           HG1      THR  22  12.213  12.302  12.302
  107   1HG2  THR  22          HG22      THR  22  12.704  15.388  15.388
  108   2HG2  THR  22          HG21      THR  22  13.150  14.622  14.622
  109   3HG2  THR  22          HG23      THR  22  13.797  14.003  14.003
  110    H    ASP  23           HN       ASP  23   9.948  11.863  11.863
  111    HA   ASP  23           HA       ASP  23   8.903  10.832  10.832
  112   1HB   ASP  23           HB2      ASP  23   7.500  10.252  10.252
  113   2HB   ASP  23           HB1      ASP  23   7.865   9.149   9.149
  114    H    LEU  24           HN       LEU  24   7.076  11.166  11.166
  115    HA   LEU  24           HA       LEU  24   5.232  13.288  13.288
  116   1HB   LEU  24           HB2      LEU  24   6.082  12.163  12.163
  117   2HB   LEU  24           HB1      LEU  24   4.335  12.378  12.378
  118    HG   LEU  24           HG       LEU  24   4.555  14.705  14.705
  119   1HD1  LEU  24          HD12      LEU  24   7.429  13.970  13.970
  120   2HD1  LEU  24          HD11      LEU  24   6.989  15.634  15.634
  121   3HD1  LEU  24          HD13      LEU  24   6.306  14.845  14.845
  122   1HD2  LEU  24          HD21      LEU  24   5.358  13.657  13.657
  123   2HD2  LEU  24          HD23      LEU  24   5.250  15.390  15.390
  124   3HD2  LEU  24          HD22      LEU  24   6.802  14.565  14.565
  125    H    SER  25           HN       SER  25   2.844  12.903  12.903
  126    HA   SER  25           HA       SER  25   2.145  10.141  10.141
  127   1HB   SER  25           HB2      SER  25  -0.029  11.960  11.960
  128   2HB   SER  25           HB1      SER  25   0.932  11.168  11.168
  129    HG   SER  25           HG       SER  25   1.589  13.109  13.109
  130    H    PHE  26           HN       PHE  26   0.411   9.064   9.064
  131    HA   PHE  26           HA       PHE  26  -0.875  10.443  10.443
  132   1HB   PHE  26           HB2      PHE  26  -0.358   8.456   8.456
  133   2HB   PHE  26           HB1      PHE  26   1.045   9.444   9.444
  134    HD1  PHE  26           HD2      PHE  26  -0.688   6.259   6.259
  135    HD2  PHE  26           HD1      PHE  26   2.783   8.584   8.584
  136    HE1  PHE  26           HE2      PHE  26   0.392   4.294   4.294
  137    HE2  PHE  26           HE1      PHE  26   3.862   6.616   6.616
  138    HZ   PHE  26           HZ       PHE  26   2.669   4.469   4.469
  139    H    LYS  27           HN       LYS  27  -2.392   8.608   8.608
  140    HA   LYS  27           HA       LYS  27  -3.643   7.045   7.045
  141   1HB   LYS  27           HB2      LYS  27  -5.785   7.746   7.746
  142   2HB   LYS  27           HB1      LYS  27  -5.354   8.540   8.540
  143   1HG   LYS  27           HG2      LYS  27  -4.357  10.349  10.349
  144   2HG   LYS  27           HG1      LYS  27  -4.039   9.422   9.422
  145   1HD   LYS  27           HD2      LYS  27  -6.726   9.287   9.287
  146   2HD   LYS  27           HD1      LYS  27  -6.527  10.815  10.815
  147   1HE   LYS  27           HE2      LYS  27  -4.918  10.356  10.356
  148   2HE   LYS  27           HE1      LYS  27  -6.628  10.753  10.753
  149   1HZ   LYS  27           HZ2      LYS  27  -5.751  12.507  12.507
  150   2HZ   LYS  27           HZ1      LYS  27  -4.435  12.420  12.420
  151   3HZ   LYS  27           HZ3      LYS  27  -5.972  12.854  12.854
  152    H    LYS  28           HN       LYS  28  -5.305   5.440   5.440
  153    HA   LYS  28           HA       LYS  28  -3.901   3.764   3.764
  154   1HB   LYS  28           HB2      LYS  28  -5.508   2.758   2.758
  155   2HB   LYS  28           HB1      LYS  28  -6.797   3.803   3.803
  156   1HG   LYS  28           HG2      LYS  28  -6.809   2.722   2.722
  157   2HG   LYS  28           HG1      LYS  28  -5.294   1.884   1.884
  158   1HD   LYS  28           HD2      LYS  28  -6.326   0.450   0.450
  159   2HD   LYS  28           HD1      LYS  28  -7.768   1.462   1.462
  160   1HE   LYS  28           HE2      LYS  28  -6.868  -0.127  -0.127
  161   2HE   LYS  28           HE1      LYS  28  -8.205  -0.550  -0.550
  162   1HZ   LYS  28           HZ3      LYS  28  -8.879   1.928   1.928
  163   2HZ   LYS  28           HZ2      LYS  28  -8.037   1.521   1.521
  164   3HZ   LYS  28           HZ1      LYS  28  -9.367   0.588   0.588
  165    H    GLY  29           HN       GLY  29  -4.106   3.541   3.541
  166   1HA   GLY  29           HA2      GLY  29  -4.990   3.958   3.958
  167   2HA   GLY  29           HA1      GLY  29  -6.196   5.021   5.021
  168    H    GLU  30           HN       GLU  30  -3.057   5.653   5.653
  169    HA   GLU  30           HA       GLU  30  -2.997   8.167   8.167
  170   1HB   GLU  30           HB2      GLU  30  -2.568   8.407   8.407
  171   2HB   GLU  30           HB1      GLU  30  -1.345   7.136   7.136
  172   1HG   GLU  30           HG2      GLU  30   0.246   8.510   8.510
  173   2HG   GLU  30           HG1      GLU  30  -0.936   9.415   9.415
  174    H    ARG  31           HN       ARG  31  -1.689   8.438   8.438
  175    HA   ARG  31           HA       ARG  31   0.030   6.224   6.224
  176   1HB   ARG  31           HB2      ARG  31  -0.291   8.968   8.968
  177   2HB   ARG  31           HB1      ARG  31   0.358   7.523   7.523
  178   1HG   ARG  31           HG2      ARG  31  -1.876   6.411   6.411
  179   2HG   ARG  31           HG1      ARG  31  -2.487   7.981   7.981
  180   1HD   ARG  31           HD2      ARG  31  -1.068   7.816   7.816
  181   2HD   ARG  31           HD1      ARG  31  -2.716   7.198   7.198
  182    HE   ARG  31           HE       ARG  31  -1.931  10.004  10.004
  183   1HH1  ARG  31          HH21      ARG  31  -4.236   7.591   7.591
  184   2HH1  ARG  31          HH22      ARG  31  -5.542   8.715   8.715
  185   1HH2  ARG  31          HH11      ARG  31  -3.626  11.478  11.478
  186   2HH2  ARG  31          HH12      ARG  31  -5.197  10.914  10.914
  187    H    LEU  32           HN       LEU  32   2.151   6.060   6.060
  188    HA   LEU  32           HA       LEU  32   3.616   8.580   8.580
  189   1HB   LEU  32           HB2      LEU  32   3.653   5.931   5.931
  190   2HB   LEU  32           HB1      LEU  32   4.873   7.181   7.181
  191    HG   LEU  32           HG       LEU  32   2.370   8.490   8.490
  192   1HD1  LEU  32          HD11      LEU  32   2.425   5.791   5.791
  193   2HD1  LEU  32          HD13      LEU  32   1.517   7.124   7.124
  194   3HD1  LEU  32          HD12      LEU  32   1.115   6.550   6.550
  195   1HD2  LEU  32          HD21      LEU  32   4.565   8.900   8.900
  196   2HD2  LEU  32          HD23      LEU  32   3.109   9.042   9.042
  197   3HD2  LEU  32          HD22      LEU  32   4.103   7.589   7.589
  198    H    GLN  33           HN       GLN  33   5.686   8.707   8.707
  199    HA   GLN  33           HA       GLN  33   6.441   6.546   6.546
  200   1HB   GLN  33           HB2      GLN  33   6.615   9.377   9.377
  201   2HB   GLN  33           HB1      GLN  33   8.270   8.772   8.772
  202   1HG   GLN  33           HG2      GLN  33   8.084   7.684   7.684
  203   2HG   GLN  33           HG1      GLN  33   6.351   7.419   7.419
  204   1HE2  GLN  33          HE22      GLN  33   7.660  10.684  10.684
  205   2HE2  GLN  33          HE21      GLN  33   8.717   9.471   9.471
  206    H    ILE  34           HN       ILE  34   7.341   4.973   4.973
  207    HA   ILE  34           HA       ILE  34   9.006   5.324   5.324
  208    HB   ILE  34           HB       ILE  34   9.265   3.213   3.213
  209   1HG1  ILE  34          HG12      ILE  34   7.023   3.243   3.243
  210   2HG1  ILE  34          HG11      ILE  34   7.887   1.874   1.874
  211   1HG2  ILE  34          HG22      ILE  34  10.267   3.342   3.342
  212   2HG2  ILE  34          HG21      ILE  34  10.251   1.871   1.871
  213   3HG2  ILE  34          HG23      ILE  34  11.250   3.241   3.241
  214   1HD1  ILE  34          HD13      ILE  34   8.493   3.962   3.962
  215   2HD1  ILE  34          HD12      ILE  34   6.806   4.260   4.260
  216   3HD1  ILE  34          HD11      ILE  34   7.282   2.714   2.714
  217    H    VAL  35           HN       VAL  35  11.239   5.644   5.644
  218    HA   VAL  35           HA       VAL  35  12.678   6.645   6.645
  219    HB   VAL  35           HB       VAL  35  13.206   7.269   7.269
  220   1HG1  VAL  35          HG12      VAL  35  15.139   7.365   7.365
  221   2HG1  VAL  35          HG11      VAL  35  14.257   8.667   8.667
  222   3HG1  VAL  35          HG13      VAL  35  14.799   8.862   8.862
  223   1HG2  VAL  35          HG23      VAL  35  11.120   8.187   8.187
  224   2HG2  VAL  35          HG22      VAL  35  11.754   8.997   8.997
  225   3HG2  VAL  35          HG21      VAL  35  12.344   9.444   9.444
  226    H    ASN  36           HN       ASN  36  13.827   5.524   5.524
  227    HA   ASN  36           HA       ASN  36  15.444   3.455   3.455
  228   1HB   ASN  36           HB2      ASN  36  16.326   5.686   5.686
  229   2HB   ASN  36           HB1      ASN  36  16.866   4.145   4.145
  230   1HD2  ASN  36          HD22      ASN  36  19.556   4.417   4.417
  231   2HD2  ASN  36          HD21      ASN  36  19.099   4.470   4.470
  232    H    ASN  37           HN       ASN  37  16.421   1.952   1.952
  233    HA   ASN  37           HA       ASN  37  15.863   0.291   0.291
  234   1HB   ASN  37           HB2      ASN  37  13.969   2.376   2.376
  235   2HB   ASN  37           HB1      ASN  37  14.693   1.018   1.018
  236   1HD2  ASN  37          HD22      ASN  37  18.028   2.795   2.795
  237   2HD2  ASN  37          HD21      ASN  37  17.351   1.423   1.423
  238    H    THR  38           HN       THR  38  14.719  -1.381  -1.381
  239    HA   THR  38           HA       THR  38  11.778  -0.993  -0.993
  240    HB   THR  38           HB       THR  38  12.676  -1.006  -1.006
  241    HG1  THR  38           HG1      THR  38  10.894  -2.427  -2.427
  242   1HG2  THR  38          HG21      THR  38  14.476  -3.071  -3.071
  243   2HG2  THR  38          HG23      THR  38  14.038  -3.260  -3.260
  244   3HG2  THR  38          HG22      THR  38  14.837  -1.784  -1.784
  245    H    GLU  39           HN       GLU  39  14.039  -2.514  -2.514
  246    HA   GLU  39           HA       GLU  39  12.346  -4.965  -4.965
  247   1HB   GLU  39           HB2      GLU  39  15.220  -4.700  -4.700
  248   2HB   GLU  39           HB1      GLU  39  14.858  -5.637  -5.637
  249   1HG   GLU  39           HG2      GLU  39  14.071  -7.381  -7.381
  250   2HG   GLU  39           HG1      GLU  39  13.106  -6.326  -6.326
  251    H    GLY  40           HN       GLY  40  14.264  -2.472  -2.472
  252   1HA   GLY  40           HA2      GLY  40  14.029  -3.475  -3.475
  253   2HA   GLY  40           HA1      GLY  40  14.347  -1.795  -1.795
  254    H    ASP  41           HN       ASP  41  12.812  -1.623  -1.623
  255    HA   ASP  41           HA       ASP  41   9.965  -1.804  -1.804
  256   1HB   ASP  41           HB2      ASP  41  11.342  -2.091  -2.091
  257   2HB   ASP  41           HB1      ASP  41   9.827  -1.187  -1.187
  258    H    TRP  42           HN       TRP  42  12.043   0.354   0.354
  259    HA   TRP  42           HA       TRP  42  10.249   2.607   2.607
  260   1HB   TRP  42           HB2      TRP  42  12.963   2.360   2.360
  261   2HB   TRP  42           HB1      TRP  42  12.218   3.932   3.932
  262    HD1  TRP  42           HD1      TRP  42  12.146   1.035   1.035
  263    HE1  TRP  42           HE1      TRP  42  10.257   1.465   1.465
  264    HE3  TRP  42           HE3      TRP  42   9.962   4.816   4.816
  265    HZ2  TRP  42           HZ2      TRP  42   7.960   3.298   3.298
  266    HZ3  TRP  42           HZ3      TRP  42   7.952   5.928   5.928
  267    HH2  TRP  42           HH2      TRP  42   6.951   5.169   5.169
  268    H    TRP  43           HN       TRP  43  10.144   3.072   3.072
  269    HA   TRP  43           HA       TRP  43  12.742   3.588   3.588
  270   1HB   TRP  43           HB2      TRP  43  10.069   3.170   3.170
  271   2HB   TRP  43           HB1      TRP  43  11.676   3.062   3.062
  272    HD1  TRP  43           HD1      TRP  43  12.935   1.244   1.244
  273    HE1  TRP  43           HE1      TRP  43  12.236  -1.185  -1.185
  274    HE3  TRP  43           HE3      TRP  43   8.868   1.621   1.621
  275    HZ2  TRP  43           HZ2      TRP  43  10.076  -2.850  -2.850
  276    HZ3  TRP  43           HZ3      TRP  43   7.467  -0.322  -0.322
  277    HH2  TRP  43           HH2      TRP  43   8.071  -2.557  -2.557
  278    H    LEU  44           HN       LEU  44  12.733   5.463   5.463
  279    HA   LEU  44           HA       LEU  44  11.085   7.675   7.675
  280   1HB   LEU  44           HB2      LEU  44  13.646   7.805   7.805
  281   2HB   LEU  44           HB1      LEU  44  13.394   7.930   7.930
  282    HG   LEU  44           HG       LEU  44  11.748   9.843   9.843
  283   1HD1  LEU  44          HD11      LEU  44  11.917   9.132   9.132
  284   2HD1  LEU  44          HD13      LEU  44  13.418  10.059  10.059
  285   3HD1  LEU  44          HD12      LEU  44  11.889  10.851  10.851
  286   1HD2  LEU  44          HD23      LEU  44  14.712   9.818   9.818
  287   2HD2  LEU  44          HD22      LEU  44  13.593  10.719  10.719
  288   3HD2  LEU  44          HD21      LEU  44  13.965  11.297  11.297
  289    H    ALA  45           HN       ALA  45   9.225   8.051   8.051
  290    HA   ALA  45           HA       ALA  45   9.390   7.822   7.822
  291   1HB   ALA  45           HB3      ALA  45   8.006   6.041   6.041
  292   2HB   ALA  45           HB2      ALA  45   6.823   7.340   7.340
  293   3HB   ALA  45           HB1      ALA  45   7.305   6.770   6.770
  294    H    HIS  46           HN       HIS  46   7.726   9.167   9.167
  295    HA   HIS  46           HA       HIS  46   7.382  11.755  11.755
  296   1HB   HIS  46           HB2      HIS  46   8.655  11.792  11.792
  297   2HB   HIS  46           HB1      HIS  46   7.241  11.146  11.146
  298    HD1  HIS  46           HD1      HIS  46   6.992  13.775  13.775
  299    HD2  HIS  46           HD2      HIS  46   6.661  13.470  13.470
  300    HE1  HIS  46           HE1      HIS  46   6.095  15.922  15.922
  301    H    SER  47           HN       SER  47   5.298  12.839  12.839
  302    HA   SER  47           HA       SER  47   3.064  10.899  10.899
  303   1HB   SER  47           HB2      SER  47   2.465  13.677  13.677
  304   2HB   SER  47           HB1      SER  47   1.975  12.157  12.157
  305    HG   SER  47           HG       SER  47   4.373  12.078  12.078
  306    H    LEU  48           HN       LEU  48   4.524  13.508  13.508
  307    HA   LEU  48           HA       LEU  48   3.975  14.438  14.438
  308   1HB   LEU  48           HB2      LEU  48   1.632  12.524  12.524
  309   2HB   LEU  48           HB1      LEU  48   2.441  13.269  13.269
  310    HG   LEU  48           HG       LEU  48   3.693  11.278  11.278
  311   1HD1  LEU  48          HD13      LEU  48   2.160  11.009  11.009
  312   2HD1  LEU  48          HD12      LEU  48   3.758  10.276  10.276
  313   3HD1  LEU  48          HD11      LEU  48   2.651   9.768   9.768
  314   1HD2  LEU  48          HD23      LEU  48   4.889  13.244  13.244
  315   2HD2  LEU  48          HD22      LEU  48   5.690  11.869  11.869
  316   3HD2  LEU  48          HD21      LEU  48   5.073  11.730  11.730
  317    H    THR  49           HN       THR  49   2.316  14.797  14.797
  318    HA   THR  49           HA       THR  49  -0.052  16.178  16.178
  319    HB   THR  49           HB       THR  49   1.035  15.945  15.945
  320    HG1  THR  49           HG1      THR  49   0.232  14.024  14.024
  321   1HG2  THR  49          HG21      THR  49  -0.469  17.968  17.968
  322   2HG2  THR  49          HG23      THR  49  -1.758  16.769  16.769
  323   3HG2  THR  49          HG22      THR  49  -0.909  17.012  17.012
  324    H    THR  50           HN       THR  50   2.162  17.416  17.416
  325    HA   THR  50           HA       THR  50   2.041  20.067  20.067
  326    HB   THR  50           HB       THR  50   3.620  19.452  19.452
  327    HG1  THR  50           HG1      THR  50   1.612  19.835  19.835
  328   1HG2  THR  50          HG23      THR  50   3.102  21.756  21.756
  329   2HG2  THR  50          HG22      THR  50   1.872  21.806  21.806
  330   3HG2  THR  50          HG21      THR  50   3.578  21.698  21.698
  331    H    GLY  51           HN       GLY  51   4.460  17.605  17.605
  332   1HA   GLY  51           HA2      GLY  51   6.222  17.361  17.361
  333   2HA   GLY  51           HA1      GLY  51   6.437  19.100  19.100
  334    H    GLN  52           HN       GLN  52   5.879  16.836  16.836
  335    HA   GLN  52           HA       GLN  52   8.672  17.389  17.389
  336   1HB   GLN  52           HB2      GLN  52   6.386  16.883  16.883
  337   2HB   GLN  52           HB1      GLN  52   7.924  17.685  17.685
  338   1HG   GLN  52           HG2      GLN  52   6.960  19.670  19.670
  339   2HG   GLN  52           HG1      GLN  52   6.623  19.130  19.130
  340   1HE2  GLN  52          HE22      GLN  52   3.457  19.863  19.863
  341   2HE2  GLN  52          HE21      GLN  52   4.932  20.703  20.703
  342    H    THR  53           HN       THR  53   9.852  15.568  15.568
  343    HA   THR  53           HA       THR  53   8.582  12.962  12.962
  344    HB   THR  53           HB       THR  53  11.223  14.036  14.036
  345    HG1  THR  53           HG1      THR  53  10.168  11.441  11.441
  346   1HG2  THR  53          HG21      THR  53  11.515  13.146  13.146
  347   2HG2  THR  53          HG23      THR  53  11.161  11.539  11.539
  348   3HG2  THR  53          HG22      THR  53  12.586  12.412  12.412
  349    H    GLY  54           HN       GLY  54   9.301  11.191  11.191
  350   1HA   GLY  54           HA2      GLY  54   9.621  12.001  12.001
  351   2HA   GLY  54           HA1      GLY  54   7.928  11.641  11.641
  352    H    TYR  55           HN       TYR  55  10.407  10.240  10.240
  353    HA   TYR  55           HA       TYR  55  10.734   7.727   7.727
  354   1HB   TYR  55           HB2      TYR  55  11.110   8.601   8.601
  355   2HB   TYR  55           HB1      TYR  55  11.465   6.966   6.966
  356    HD1  TYR  55           HD1      TYR  55  12.931   6.912   6.912
  357    HD2  TYR  55           HD2      TYR  55  12.880  10.126  10.126
  358    HE1  TYR  55           HE1      TYR  55  15.117   7.660   7.660
  359    HE2  TYR  55           HE2      TYR  55  15.063  10.875  10.875
  360    HH   TYR  55           HH       TYR  55  16.343  10.099  10.099
  361    H    ILE  56           HN       ILE  56   8.584   7.043   7.043
  362    HA   ILE  56           HA       ILE  56   6.576   6.674   6.674
  363    HB   ILE  56           HB       ILE  56   5.266   5.583   5.583
  364   1HG1  ILE  56          HG12      ILE  56   6.656   6.078   6.078
  365   2HG1  ILE  56          HG11      ILE  56   7.945   5.548   5.548
  366   1HG2  ILE  56          HG22      ILE  56   6.401   8.287   8.287
  367   2HG2  ILE  56          HG21      ILE  56   5.839   7.737   7.737
  368   3HG2  ILE  56          HG23      ILE  56   4.728   7.769   7.769
  369   1HD1  ILE  56          HD11      ILE  56   5.594   3.883   3.883
  370   2HD1  ILE  56          HD13      ILE  56   6.108   3.911   3.911
  371   3HD1  ILE  56          HD12      ILE  56   7.239   3.411   3.411
  372    HA   PRO  57           HA       PRO  57   7.900   2.731   2.731
  373   1HB   PRO  57           HB2      PRO  57   5.227   1.829   1.829
  374   2HB   PRO  57           HB1      PRO  57   6.390   2.481   2.481
  375   1HG   PRO  57           HG2      PRO  57   4.008   3.756   3.756
  376   2HG   PRO  57           HG1      PRO  57   5.151   4.393   4.393
  377   1HD   PRO  57           HD1      PRO  57   4.823   5.204   5.204
  378   2HD   PRO  57           HD2      PRO  57   5.973   5.838   5.838
  379    H    SER  58           HN       SER  58   7.851   0.492   0.492
  380    HA   SER  58           HA       SER  58   6.901   0.166   0.166
  381   1HB   SER  58           HB2      SER  58   8.548  -1.381  -1.381
  382   2HB   SER  58           HB1      SER  58   9.112  -0.742  -0.742
  383    HG   SER  58           HG       SER  58   7.356  -2.927  -2.927
  384    H    ASN  59           HN       ASN  59   6.141  -1.050  -1.050
  385    HA   ASN  59           HA       ASN  59   4.417  -3.181  -3.181
  386   1HB   ASN  59           HB2      ASN  59   3.656  -3.205  -3.205
  387   2HB   ASN  59           HB1      ASN  59   5.390  -2.908  -2.908
  388   1HD2  ASN  59          HD22      ASN  59   3.451  -0.380  -0.380
  389   2HD2  ASN  59          HD21      ASN  59   3.308  -2.069  -2.069
  390    H    TYR  60           HN       TYR  60   4.064   0.193   0.193
  391    HA   TYR  60           HA       TYR  60   1.088  -0.048  -0.048
  392   1HB   TYR  60           HB2      TYR  60   2.904   2.354   2.354
  393   2HB   TYR  60           HB1      TYR  60   1.162   2.481   2.481
  394    HD1  TYR  60           HD1      TYR  60   1.473  -0.499  -0.499
  395    HD2  TYR  60           HD2      TYR  60   1.954   3.661   3.661
  396    HE1  TYR  60           HE1      TYR  60   1.117  -0.885  -0.885
  397    HE2  TYR  60           HE2      TYR  60   1.598   3.274   3.274
  398    HH   TYR  60           HH       TYR  60   0.424   1.535   1.535
  399    H    VAL  61           HN       VAL  61   3.394  -0.502  -0.502
  400    HA   VAL  61           HA       VAL  61   1.818   0.762   0.762
  401    HB   VAL  61           HB       VAL  61   3.588   2.351   2.351
  402   1HG1  VAL  61          HG11      VAL  61   4.995   0.282   0.282
  403   2HG1  VAL  61          HG13      VAL  61   5.797   0.445   0.445
  404   3HG1  VAL  61          HG12      VAL  61   5.719   1.823   1.823
  405   1HG2  VAL  61          HG22      VAL  61   3.083   1.644   1.644
  406   2HG2  VAL  61          HG21      VAL  61   4.725   2.252   2.252
  407   3HG2  VAL  61          HG23      VAL  61   4.436   0.517   0.517
  408    H    ALA  62           HN       ALA  62   2.500  -0.145  -0.145
  409    HA   ALA  62           HA       ALA  62   4.054  -2.571  -2.571
  410   1HB   ALA  62           HB2      ALA  62   1.035  -2.843  -2.843
  411   2HB   ALA  62           HB1      ALA  62   2.141  -4.119  -4.119
  412   3HB   ALA  62           HB3      ALA  62   2.170  -3.540  -3.540
  413    HA   PRO  63           HA       PRO  63   3.968  -1.247  -1.247
  414   1HB   PRO  63           HB2      PRO  63   4.686  -3.854  -3.854
  415   2HB   PRO  63           HB1      PRO  63   5.744  -2.456  -2.456
  416   1HG   PRO  63           HG2      PRO  63   5.628  -4.875  -4.875
  417   2HG   PRO  63           HG1      PRO  63   6.695  -3.483  -3.483
  418   1HD   PRO  63           HD1      PRO  63   4.420  -4.256  -4.256
  419   2HD   PRO  63           HD2      PRO  63   5.501  -2.871  -2.871
  420    H    SER  64           HN       SER  64   1.614  -1.066  -1.066
  421    HA   SER  64           HA       SER  64   0.379  -2.724  -2.724
  422   1HB   SER  64           HB2      SER  64   0.235  -4.542  -4.542
  423   2HB   SER  64           HB1      SER  64  -0.108  -3.498  -3.498
  424    HG   SER  64           HG       SER  64  -1.856  -4.745  -4.745
  425   1H    ARG  71           HT3      ARG  71  13.767   2.183   2.183
  426   2H    ARG  71           HT2      ARG  71  14.021   1.175   1.175
  427   3H    ARG  71           HT1      ARG  71  14.984   2.557   2.557
  428    HA   ARG  71           HA       ARG  71  13.279   4.015   4.015
  429   1HB   ARG  71           HB2      ARG  71  14.086   2.949   2.949
  430   2HB   ARG  71           HB1      ARG  71  13.116   1.509   1.509
  431   1HG   ARG  71           HG2      ARG  71  12.010   2.878   2.878
  432   2HG   ARG  71           HG1      ARG  71  11.054   2.901   2.901
  433   1HD   ARG  71           HD2      ARG  71  12.360   5.042   5.042
  434   2HD   ARG  71           HD1      ARG  71  12.867   5.058   5.058
  435    HE   ARG  71           HE       ARG  71  10.007   4.776   4.776
  436   1HH1  ARG  71          HH21      ARG  71  12.635   6.992   6.992
  437   2HH1  ARG  71          HH22      ARG  71  11.683   8.382   8.382
  438   1HH2  ARG  71          HH11      ARG  71   8.757   6.582   6.582
  439   2HH2  ARG  71          HH12      ARG  71   9.490   8.151   8.151
  440    H    ALA  72           HN       ALA  72  12.146   0.884   0.884
  441    HA   ALA  72           HA       ALA  72  10.051   0.198   0.198
  442   1HB   ALA  72           HB1      ALA  72  10.555   2.735   2.735
  443   2HB   ALA  72           HB3      ALA  72   8.937   2.882   2.882
  444   3HB   ALA  72           HB2      ALA  72   9.271   1.646   1.646
  445    H    LEU  73           HN       LEU  73   9.022  -0.655  -0.655
  446    HA   LEU  73           HA       LEU  73   7.895   1.116   1.116
  447   1HB   LEU  73           HB2      LEU  73   8.236  -1.803  -1.803
  448   2HB   LEU  73           HB1      LEU  73   6.830  -1.315  -1.315
  449    HG   LEU  73           HG       LEU  73   9.654  -0.342  -0.342
  450   1HD1  LEU  73          HD13      LEU  73   8.640  -2.885  -2.885
  451   2HD1  LEU  73          HD12      LEU  73   8.391  -2.046  -2.046
  452   3HD1  LEU  73          HD11      LEU  73  10.008  -2.147  -2.147
  453   1HD2  LEU  73          HD23      LEU  73   7.007  -0.035  -0.035
  454   2HD2  LEU  73          HD22      LEU  73   8.050   1.243   1.243
  455   3HD2  LEU  73          HD21      LEU  73   8.556   0.295   0.295
  456    HA   PRO  74           HA       PRO  74   3.998   1.665   1.665
  457   1HB   PRO  74           HB2      PRO  74   2.629   2.143   2.143
  458   2HB   PRO  74           HB1      PRO  74   3.322   3.352   3.352
  459   1HG   PRO  74           HG2      PRO  74   4.273   2.527   2.527
  460   2HG   PRO  74           HG1      PRO  74   4.888   3.826   3.826
  461   1HD   PRO  74           HD1      PRO  74   6.096   1.256   1.256
  462   2HD   PRO  74           HD2      PRO  74   6.698   2.551   2.551
  463    HA   PRO  75           HA       PRO  75   2.628  -2.588  -2.588
  464   1HB   PRO  75           HB2      PRO  75   0.752  -2.227  -2.227
  465   2HB   PRO  75           HB1      PRO  75   2.245  -3.174  -3.174
  466   1HG   PRO  75           HG2      PRO  75   1.746  -0.647  -0.647
  467   2HG   PRO  75           HG1      PRO  75   3.237  -1.598  -1.598
  468   1HD   PRO  75           HD1      PRO  75   2.734   0.880   0.880
  469   2HD   PRO  75           HD2      PRO  75   4.223  -0.085  -0.085
  470    H    LEU  76           HN       LEU  76   0.839  -3.302  -3.302
  471    HA   LEU  76           HA       LEU  76  -0.811  -1.622  -1.622
  472   1HB   LEU  76           HB2      LEU  76  -1.236  -4.417  -4.417
  473   2HB   LEU  76           HB1      LEU  76  -2.517  -3.606  -3.606
  474    HG   LEU  76           HG       LEU  76   0.328  -3.814  -3.814
  475   1HD1  LEU  76          HD13      LEU  76  -1.559  -5.912  -5.912
  476   2HD1  LEU  76          HD12      LEU  76  -1.547  -5.472  -5.472
  477   3HD1  LEU  76          HD11      LEU  76  -0.047  -5.943  -5.943
  478   1HD2  LEU  76          HD23      LEU  76  -1.661  -2.156  -2.156
  479   2HD2  LEU  76          HD22      LEU  76  -0.451  -2.804  -2.804
  480   3HD2  LEU  76          HD21      LEU  76  -2.036  -3.570  -3.570
  481    HA   PRO  77           HA       PRO  77  -3.783   0.303   0.303
  482   1HB   PRO  77           HB2      PRO  77  -6.097  -0.594  -0.594
  483   2HB   PRO  77           HB1      PRO  77  -5.319   0.992   0.992
  484   1HG   PRO  77           HG2      PRO  77  -5.247  -1.051  -1.051
  485   2HG   PRO  77           HG1      PRO  77  -4.435   0.519   0.519
  486   1HD   PRO  77           HD1      PRO  77  -3.244  -2.088  -2.088
  487   2HD   PRO  77           HD2      PRO  77  -2.427  -0.513  -0.513
  488    H    ARG  78           HN       ARG  78  -5.323  -0.182  -0.182
  489    HA   ARG  78           HA       ARG  78  -5.551  -3.088  -3.088
  490   1HB   ARG  78           HB2      ARG  78  -4.601  -1.891  -1.891
  491   2HB   ARG  78           HB1      ARG  78  -5.795  -0.600  -0.600
  492   1HG   ARG  78           HG2      ARG  78  -7.088  -3.177  -3.177
  493   2HG   ARG  78           HG1      ARG  78  -5.947  -2.860  -2.860
  494   1HD   ARG  78           HD2      ARG  78  -7.341  -0.429  -0.429
  495   2HD   ARG  78           HD1      ARG  78  -8.542  -1.714  -1.714
  496    HE   ARG  78           HE       ARG  78  -6.907  -2.171  -2.171
  497   1HH1  ARG  78          HH21      ARG  78  -8.562   0.570   0.570
  498   2HH1  ARG  78          HH22      ARG  78  -8.806   1.313   1.313
  499   1HH2  ARG  78          HH11      ARG  78  -7.221  -1.212  -1.212
  500   2HH2  ARG  78          HH12      ARG  78  -8.049   0.305   0.305
  501    H    TYR  79           HN       TYR  79  -7.550  -4.083  -4.083
  502    HA   TYR  79           HA       TYR  79 -10.044  -2.892  -2.892
  503   1HB   TYR  79           HB2      TYR  79  -9.068  -2.058  -2.058
  504   2HB   TYR  79           HB1      TYR  79 -10.231  -3.327  -3.327
  505    HD1  TYR  79           HD2      TYR  79 -12.483  -3.186  -3.186
  506    HD2  TYR  79           HD1      TYR  79  -9.907   0.108   0.108
  507    HE1  TYR  79           HE2      TYR  79 -14.326  -1.636  -1.636
  508    HE2  TYR  79           HE1      TYR  79 -11.751   1.658   1.658
  509    HH   TYR  79           HH       TYR  79 -13.890   1.635   1.635

  Start of MODEL   11
    1   1H    THR   9           HT3      THR   9   5.911   3.905   3.905
    2   2H    THR   9           HT2      THR   9   6.446   2.730   2.730
    3   3H    THR   9           HT1      THR   9   6.021   4.279   4.279
    4    HA   THR   9           HA       THR   9   3.756   3.934   3.934
    5    HB   THR   9           HB       THR   9   4.777   1.208   1.208
    6    HG1  THR   9           HG1      THR   9   5.777   2.212   2.212
    7   1HG2  THR   9          HG23      THR   9   2.333   2.874   2.874
    8   2HG2  THR   9          HG22      THR   9   2.810   1.516   1.516
    9   3HG2  THR   9          HG21      THR   9   2.404   1.247   1.247
   10    H    PHE  10           HN       PHE  10   4.412   3.819   3.819
   11    HA   PHE  10           HA       PHE  10   3.400   1.182   1.182
   12   1HB   PHE  10           HB2      PHE  10   5.258   3.233   3.233
   13   2HB   PHE  10           HB1      PHE  10   4.267   2.304   2.304
   14    HD1  PHE  10           HD2      PHE  10   5.816   1.308   1.308
   15    HD2  PHE  10           HD1      PHE  10   5.699   0.683   0.683
   16    HE1  PHE  10           HE2      PHE  10   7.337  -0.606  -0.606
   17    HE2  PHE  10           HE1      PHE  10   7.220  -1.230  -1.230
   18    HZ   PHE  10           HZ       PHE  10   8.040  -1.876  -1.876
   19    H    VAL  11           HN       VAL  11   1.828   1.265   1.265
   20    HA   VAL  11           HA       VAL  11   0.320   3.840   3.840
   21    HB   VAL  11           HB       VAL  11  -1.042   1.145   1.145
   22   1HG1  VAL  11          HG12      VAL  11  -1.944   4.012   4.012
   23   2HG1  VAL  11          HG11      VAL  11  -2.965   2.599   2.599
   24   3HG1  VAL  11          HG13      VAL  11  -2.363   2.961   2.961
   25   1HG2  VAL  11          HG23      VAL  11   0.325   1.617   1.617
   26   2HG2  VAL  11          HG22      VAL  11  -1.410   1.493   1.493
   27   3HG2  VAL  11          HG21      VAL  11  -0.638   3.078   3.078
   28    H    ALA  12           HN       ALA  12  -0.455   4.315   4.315
   29    HA   ALA  12           HA       ALA  12   0.628   2.795   2.795
   30   1HB   ALA  12           HB3      ALA  12   0.090   5.349   5.349
   31   2HB   ALA  12           HB2      ALA  12  -1.544   4.859   4.859
   32   3HB   ALA  12           HB1      ALA  12  -0.191   4.514   4.514
   33    H    LEU  13           HN       LEU  13  -0.270   0.914   0.914
   34    HA   LEU  13           HA       LEU  13  -3.028   0.223   0.223
   35   1HB   LEU  13           HB2      LEU  13  -1.211  -1.253  -1.253
   36   2HB   LEU  13           HB1      LEU  13  -2.550  -1.906  -1.906
   37    HG   LEU  13           HG       LEU  13  -0.011  -0.745  -0.745
   38   1HD1  LEU  13          HD12      LEU  13  -0.659  -3.381  -3.381
   39   2HD1  LEU  13          HD11      LEU  13  -0.195  -3.456  -3.456
   40   3HD1  LEU  13          HD13      LEU  13   0.899  -2.737  -2.737
   41   1HD2  LEU  13          HD22      LEU  13  -2.478  -2.060  -2.060
   42   2HD2  LEU  13          HD21      LEU  13  -1.765  -0.508  -0.508
   43   3HD2  LEU  13          HD23      LEU  13  -0.956  -2.009  -2.009
   44    H    TYR  14           HN       TYR  14  -1.236   0.886   0.886
   45    HA   TYR  14           HA       TYR  14  -3.881   1.241   1.241
   46   1HB   TYR  14           HB2      TYR  14  -1.345   1.025   1.025
   47   2HB   TYR  14           HB1      TYR  14  -2.962   0.450   0.450
   48    HD1  TYR  14           HD2      TYR  14  -3.512  -0.984  -0.984
   49    HD2  TYR  14           HD1      TYR  14  -0.126  -1.026  -1.026
   50    HE1  TYR  14           HE2      TYR  14  -2.916  -3.216  -3.216
   51    HE2  TYR  14           HE1      TYR  14   0.469  -3.258  -3.258
   52    HH   TYR  14           HH       TYR  14  -1.145  -5.287  -5.287
   53    H    ASP  15           HN       ASP  15  -4.138   3.106   3.106
   54    HA   ASP  15           HA       ASP  15  -2.884   5.493   5.493
   55   1HB   ASP  15           HB2      ASP  15  -4.267   5.434   5.434
   56   2HB   ASP  15           HB1      ASP  15  -4.336   6.661   6.661
   57    H    TYR  16           HN       TYR  16  -0.937   6.316   6.316
   58    HA   TYR  16           HA       TYR  16   0.355   5.269   5.269
   59   1HB   TYR  16           HB2      TYR  16   1.694   4.988   4.988
   60   2HB   TYR  16           HB1      TYR  16   1.481   6.684   6.684
   61    HD1  TYR  16           HD1      TYR  16   2.094   5.399   5.399
   62    HD2  TYR  16           HD2      TYR  16   3.778   7.402   7.402
   63    HE1  TYR  16           HE1      TYR  16   4.068   5.977   5.977
   64    HE2  TYR  16           HE2      TYR  16   5.755   7.974   7.974
   65    HH   TYR  16           HH       TYR  16   5.854   7.839   7.839
   66    H    GLU  17           HN       GLU  17  -0.077   6.570   6.570
   67    HA   GLU  17           HA       GLU  17  -0.474   9.465   9.465
   68   1HB   GLU  17           HB2      GLU  17  -1.029   9.479   9.479
   69   2HB   GLU  17           HB1      GLU  17  -1.889   8.160   8.160
   70   1HG   GLU  17           HG2      GLU  17   0.480   6.952   6.952
   71   2HG   GLU  17           HG1      GLU  17   0.229   8.059   8.059
   72    H    SER  18           HN       SER  18   1.994   9.184   9.184
   73    HA   SER  18           HA       SER  18   4.180   8.888   8.888
   74   1HB   SER  18           HB2      SER  18   3.760   9.996   9.996
   75   2HB   SER  18           HB1      SER  18   4.400  11.349  11.349
   76    HG   SER  18           HG       SER  18   6.178  10.126  10.126
   77    H    ARG  19           HN       ARG  19   5.051   9.981   9.981
   78    HA   ARG  19           HA       ARG  19   3.769  12.573  12.573
   79   1HB   ARG  19           HB2      ARG  19   4.174  10.078  10.078
   80   2HB   ARG  19           HB1      ARG  19   4.538  11.586  11.586
   81   1HG   ARG  19           HG2      ARG  19   1.936  10.909  10.909
   82   2HG   ARG  19           HG1      ARG  19   2.182  10.987  10.987
   83   1HD   ARG  19           HD2      ARG  19   1.558  13.156  13.156
   84   2HD   ARG  19           HD1      ARG  19   3.146  13.434  13.434
   85    HE   ARG  19           HE       ARG  19   1.399  12.565  12.565
   86   1HH1  ARG  19          HH21      ARG  19   1.883  15.190  15.190
   87   2HH1  ARG  19          HH22      ARG  19   1.184  16.370  16.370
   88   1HH2  ARG  19          HH11      ARG  19   0.490  14.099  14.099
   89   2HH2  ARG  19          HH12      ARG  19   0.397  15.755  15.755
   90    H    THR  20           HN       THR  20   6.402  11.646  11.646
   91    HA   THR  20           HA       THR  20   8.326  12.843  12.843
   92    HB   THR  20           HB       THR  20   9.318  11.826  11.826
   93    HG1  THR  20           HG1      THR  20   9.125   9.643   9.643
   94   1HG2  THR  20          HG22      THR  20  10.749  12.556  12.556
   95   2HG2  THR  20          HG21      THR  20  10.077  11.239  11.239
   96   3HG2  THR  20          HG23      THR  20  11.040  10.882  10.882
   97    H    GLU  21           HN       GLU  21  10.038  14.277  14.277
   98    HA   GLU  21           HA       GLU  21   8.576  16.334  16.334
   99   1HB   GLU  21           HB2      GLU  21  10.999  16.233  16.233
  100   2HB   GLU  21           HB1      GLU  21  11.118  17.301  17.301
  101   1HG   GLU  21           HG2      GLU  21   8.732  18.105  18.105
  102   2HG   GLU  21           HG1      GLU  21   9.232  17.437  17.437
  103    H    THR  22           HN       THR  22   9.339  13.750  13.750
  104    HA   THR  22           HA       THR  22  10.756  14.927  14.927
  105    HB   THR  22           HB       THR  22  11.660  12.196  12.196
  106    HG1  THR  22           HG1      THR  22  13.210  13.434  13.434
  107   1HG2  THR  22          HG23      THR  22  12.467  14.095  14.095
  108   2HG2  THR  22          HG22      THR  22  13.439  14.581  14.581
  109   3HG2  THR  22          HG21      THR  22  13.617  12.963  12.963
  110    H    ASP  23           HN       ASP  23   9.919  11.575  11.575
  111    HA   ASP  23           HA       ASP  23   8.861  10.821  10.821
  112   1HB   ASP  23           HB2      ASP  23   7.685   9.889   9.889
  113   2HB   ASP  23           HB1      ASP  23   7.840   8.981   8.981
  114    H    LEU  24           HN       LEU  24   6.961  11.239  11.239
  115    HA   LEU  24           HA       LEU  24   5.120  13.189  13.189
  116   1HB   LEU  24           HB2      LEU  24   5.157  11.976  11.976
  117   2HB   LEU  24           HB1      LEU  24   4.104  13.288  13.288
  118    HG   LEU  24           HG       LEU  24   7.119  13.456  13.456
  119   1HD1  LEU  24          HD12      LEU  24   5.249  14.139  14.139
  120   2HD1  LEU  24          HD11      LEU  24   6.799  14.959  14.959
  121   3HD1  LEU  24          HD13      LEU  24   6.750  13.215  13.215
  122   1HD2  LEU  24          HD22      LEU  24   4.956  15.059  15.059
  123   2HD2  LEU  24          HD21      LEU  24   6.678  15.429  15.429
  124   3HD2  LEU  24          HD23      LEU  24   5.723  15.932  15.932
  125    H    SER  25           HN       SER  25   2.865  12.775  12.775
  126    HA   SER  25           HA       SER  25   2.243   9.914   9.914
  127   1HB   SER  25           HB2      SER  25   0.039  11.637  11.637
  128   2HB   SER  25           HB1      SER  25   1.055  10.715  10.715
  129    HG   SER  25           HG       SER  25   1.050  13.364  13.364
  130    H    PHE  26           HN       PHE  26   0.699   8.810   8.810
  131    HA   PHE  26           HA       PHE  26  -0.761  10.377  10.377
  132   1HB   PHE  26           HB2      PHE  26  -0.404   8.332   8.332
  133   2HB   PHE  26           HB1      PHE  26   1.001   9.364   9.364
  134    HD1  PHE  26           HD2      PHE  26  -0.628   6.199   6.199
  135    HD2  PHE  26           HD1      PHE  26   2.930   8.525   8.525
  136    HE1  PHE  26           HE2      PHE  26   0.588   4.264   4.264
  137    HE2  PHE  26           HE1      PHE  26   4.150   6.586   6.586
  138    HZ   PHE  26           HZ       PHE  26   2.976   4.458   4.458
  139    H    LYS  27           HN       LYS  27  -2.448   8.709   8.709
  140    HA   LYS  27           HA       LYS  27  -3.592   6.976   6.976
  141   1HB   LYS  27           HB2      LYS  27  -4.912   9.343   9.343
  142   2HB   LYS  27           HB1      LYS  27  -5.885   7.986   7.986
  143   1HG   LYS  27           HG2      LYS  27  -5.329   8.353   8.353
  144   2HG   LYS  27           HG1      LYS  27  -3.818   9.169   9.169
  145   1HD   LYS  27           HD2      LYS  27  -5.722  10.795  10.795
  146   2HD   LYS  27           HD1      LYS  27  -6.517  10.283  10.283
  147   1HE   LYS  27           HE2      LYS  27  -4.826  11.197  11.197
  148   2HE   LYS  27           HE1      LYS  27  -3.662  11.248  11.248
  149   1HZ   LYS  27           HZ2      LYS  27  -6.130  12.891  12.891
  150   2HZ   LYS  27           HZ1      LYS  27  -4.576  13.443  13.443
  151   3HZ   LYS  27           HZ3      LYS  27  -4.926  12.985  12.985
  152    H    LYS  28           HN       LYS  28  -5.304   5.521   5.521
  153    HA   LYS  28           HA       LYS  28  -4.472   4.115   4.115
  154   1HB   LYS  28           HB2      LYS  28  -6.037   3.038   3.038
  155   2HB   LYS  28           HB1      LYS  28  -7.181   4.375   4.375
  156   1HG   LYS  28           HG2      LYS  28  -6.484   3.176   3.176
  157   2HG   LYS  28           HG1      LYS  28  -7.319   2.076   2.076
  158   1HD   LYS  28           HD2      LYS  28  -9.132   3.679   3.679
  159   2HD   LYS  28           HD1      LYS  28  -8.272   4.875   4.875
  160   1HE   LYS  28           HE2      LYS  28  -8.383   3.360   3.360
  161   2HE   LYS  28           HE1      LYS  28  -9.257   2.177   2.177
  162   1HZ   LYS  28           HZ2      LYS  28 -10.192   4.956   4.956
  163   2HZ   LYS  28           HZ1      LYS  28 -10.688   3.639   3.639
  164   3HZ   LYS  28           HZ3      LYS  28 -11.056   3.678   3.678
  165    H    GLY  29           HN       GLY  29  -4.812   4.355   4.355
  166   1HA   GLY  29           HA2      GLY  29  -5.975   5.180   5.180
  167   2HA   GLY  29           HA1      GLY  29  -6.771   6.380   6.380
  168    H    GLU  30           HN       GLU  30  -3.656   6.454   6.454
  169    HA   GLU  30           HA       GLU  30  -3.092   8.847   8.847
  170   1HB   GLU  30           HB2      GLU  30  -2.746   8.913   8.913
  171   2HB   GLU  30           HB1      GLU  30  -1.537   7.638   7.638
  172   1HG   GLU  30           HG2      GLU  30  -0.049   9.034   9.034
  173   2HG   GLU  30           HG1      GLU  30  -1.315  10.207  10.207
  174    H    ARG  31           HN       ARG  31  -1.433   8.969   8.969
  175    HA   ARG  31           HA       ARG  31  -0.087   6.388   6.388
  176   1HB   ARG  31           HB2      ARG  31  -1.046   8.706   8.706
  177   2HB   ARG  31           HB1      ARG  31   0.481   7.999   7.999
  178   1HG   ARG  31           HG2      ARG  31  -1.751   6.126   6.126
  179   2HG   ARG  31           HG1      ARG  31  -1.873   7.044   7.044
  180   1HD   ARG  31           HD2      ARG  31   0.584   6.274   6.274
  181   2HD   ARG  31           HD1      ARG  31   0.236   5.057   5.057
  182    HE   ARG  31           HE       ARG  31  -1.806   5.134   5.134
  183   1HH1  ARG  31          HH21      ARG  31   1.344   4.017   4.017
  184   2HH1  ARG  31          HH22      ARG  31   1.295   2.653   2.653
  185   1HH2  ARG  31          HH11      ARG  31  -1.879   3.360   3.360
  186   2HH2  ARG  31          HH12      ARG  31  -0.528   2.281   2.281
  187    H    LEU  32           HN       LEU  32   2.127   6.233   6.233
  188    HA   LEU  32           HA       LEU  32   3.678   8.752   8.752
  189   1HB   LEU  32           HB2      LEU  32   4.046   6.229   6.229
  190   2HB   LEU  32           HB1      LEU  32   4.900   7.758   7.758
  191    HG   LEU  32           HG       LEU  32   2.215   8.491   8.491
  192   1HD1  LEU  32          HD12      LEU  32   2.541   5.696   5.696
  193   2HD1  LEU  32          HD11      LEU  32   1.834   6.702   6.702
  194   3HD1  LEU  32          HD13      LEU  32   1.065   6.606   6.606
  195   1HD2  LEU  32          HD21      LEU  32   4.505   8.706   8.706
  196   2HD2  LEU  32          HD23      LEU  32   2.945   9.452   9.452
  197   3HD2  LEU  32          HD22      LEU  32   3.357   7.892   7.892
  198    H    GLN  33           HN       GLN  33   5.799   8.662   8.662
  199    HA   GLN  33           HA       GLN  33   6.299   6.372   6.372
  200   1HB   GLN  33           HB2      GLN  33   6.585   9.108   9.108
  201   2HB   GLN  33           HB1      GLN  33   8.239   8.570   8.570
  202   1HG   GLN  33           HG2      GLN  33   7.274   6.637   6.637
  203   2HG   GLN  33           HG1      GLN  33   6.501   8.105   8.105
  204   1HE2  GLN  33          HE22      GLN  33  10.621   8.173   8.173
  205   2HE2  GLN  33          HE21      GLN  33   9.761   7.443   7.443
  206    H    ILE  34           HN       ILE  34   7.779   4.842   4.842
  207    HA   ILE  34           HA       ILE  34   9.256   5.047   5.047
  208    HB   ILE  34           HB       ILE  34   9.530   3.017   3.017
  209   1HG1  ILE  34          HG12      ILE  34   7.252   2.993   2.993
  210   2HG1  ILE  34          HG11      ILE  34   8.063   1.645   1.645
  211   1HG2  ILE  34          HG22      ILE  34  10.807   3.395   3.395
  212   2HG2  ILE  34          HG21      ILE  34  10.086   1.799   1.799
  213   3HG2  ILE  34          HG23      ILE  34  11.296   2.369   2.369
  214   1HD1  ILE  34          HD12      ILE  34   8.507   3.273   3.273
  215   2HD1  ILE  34          HD11      ILE  34   7.330   4.335   4.335
  216   3HD1  ILE  34          HD13      ILE  34   6.840   2.735   2.735
  217    H    VAL  35           HN       VAL  35  11.322   5.757   5.757
  218    HA   VAL  35           HA       VAL  35  12.788   6.701   6.701
  219    HB   VAL  35           HB       VAL  35  13.229   7.191   7.191
  220   1HG1  VAL  35          HG11      VAL  35  14.771   7.996   7.996
  221   2HG1  VAL  35          HG13      VAL  35  14.794   9.006   9.006
  222   3HG1  VAL  35          HG12      VAL  35  15.382   7.344   7.344
  223   1HG2  VAL  35          HG21      VAL  35  11.896   8.675   8.675
  224   2HG2  VAL  35          HG23      VAL  35  11.410   8.528   8.528
  225   3HG2  VAL  35          HG22      VAL  35  12.734   9.606   9.606
  226    H    ASN  36           HN       ASN  36  13.946   5.404   5.404
  227    HA   ASN  36           HA       ASN  36  15.466   3.325   3.325
  228   1HB   ASN  36           HB2      ASN  36  16.728   5.578   5.578
  229   2HB   ASN  36           HB1      ASN  36  16.865   4.637   4.637
  230   1HD2  ASN  36          HD22      ASN  36  19.771   3.265   3.265
  231   2HD2  ASN  36          HD21      ASN  36  19.195   4.321   4.321
  232    H    ASN  37           HN       ASN  37  16.858   2.345   2.345
  233    HA   ASN  37           HA       ASN  37  16.516   0.816   0.816
  234   1HB   ASN  37           HB2      ASN  37  14.187   2.602   2.602
  235   2HB   ASN  37           HB1      ASN  37  15.150   1.583   1.583
  236   1HD2  ASN  37          HD22      ASN  37  18.002   3.842   3.842
  237   2HD2  ASN  37          HD21      ASN  37  17.652   2.181   2.181
  238    H    THR  38           HN       THR  38  15.790  -1.103  -1.103
  239    HA   THR  38           HA       THR  38  12.896  -1.297  -1.297
  240    HB   THR  38           HB       THR  38  14.519  -1.899  -1.899
  241    HG1  THR  38           HG1      THR  38  13.257  -4.226  -4.226
  242   1HG2  THR  38          HG23      THR  38  16.085  -2.878  -2.878
  243   2HG2  THR  38          HG22      THR  38  15.269  -4.373  -4.373
  244   3HG2  THR  38          HG21      THR  38  16.182  -3.463  -3.463
  245    H    GLU  39           HN       GLU  39  15.459  -2.655  -2.655
  246    HA   GLU  39           HA       GLU  39  13.542  -4.611  -4.611
  247   1HB   GLU  39           HB2      GLU  39  16.102  -4.781  -4.781
  248   2HB   GLU  39           HB1      GLU  39  15.342  -5.946  -5.946
  249   1HG   GLU  39           HG2      GLU  39  16.181  -4.447  -4.447
  250   2HG   GLU  39           HG1      GLU  39  17.217  -3.692  -3.692
  251    H    GLY  40           HN       GLY  40  14.059  -4.855  -4.855
  252   1HA   GLY  40           HA2      GLY  40  14.288  -3.764  -3.764
  253   2HA   GLY  40           HA1      GLY  40  14.461  -2.223  -2.223
  254    H    ASP  41           HN       ASP  41  12.813  -1.019  -1.019
  255    HA   ASP  41           HA       ASP  41  10.070  -1.770  -1.770
  256   1HB   ASP  41           HB2      ASP  41  10.764  -1.335  -1.335
  257   2HB   ASP  41           HB1      ASP  41   9.185  -1.756  -1.756
  258    H    TRP  42           HN       TRP  42  12.050   0.415   0.415
  259    HA   TRP  42           HA       TRP  42  10.204   2.646   2.646
  260   1HB   TRP  42           HB2      TRP  42  12.852   2.437   2.437
  261   2HB   TRP  42           HB1      TRP  42  12.143   4.007   4.007
  262    HD1  TRP  42           HD1      TRP  42  11.989   1.280   1.280
  263    HE1  TRP  42           HE1      TRP  42  10.010   1.759   1.759
  264    HE3  TRP  42           HE3      TRP  42   9.808   4.810   4.810
  265    HZ2  TRP  42           HZ2      TRP  42   7.652   3.537   3.537
  266    HZ3  TRP  42           HZ3      TRP  42   7.728   5.916   5.916
  267    HH2  TRP  42           HH2      TRP  42   6.650   5.281   5.281
  268    H    TRP  43           HN       TRP  43  10.193   3.027   3.027
  269    HA   TRP  43           HA       TRP  43  12.835   3.511   3.511
  270   1HB   TRP  43           HB2      TRP  43  10.127   3.161   3.161
  271   2HB   TRP  43           HB1      TRP  43  11.698   3.180   3.180
  272    HD1  TRP  43           HD1      TRP  43  13.261   1.244   1.244
  273    HE1  TRP  43           HE1      TRP  43  12.629  -1.203  -1.203
  274    HE3  TRP  43           HE3      TRP  43   8.826   1.653   1.653
  275    HZ2  TRP  43           HZ2      TRP  43  10.386  -2.870  -2.870
  276    HZ3  TRP  43           HZ3      TRP  43   7.423  -0.301  -0.301
  277    HH2  TRP  43           HH2      TRP  43   8.201  -2.561  -2.561
  278    H    LEU  44           HN       LEU  44  12.744   5.344   5.344
  279    HA   LEU  44           HA       LEU  44  11.315   7.657   7.657
  280   1HB   LEU  44           HB2      LEU  44  13.742   7.928   7.928
  281   2HB   LEU  44           HB1      LEU  44  13.737   7.541   7.541
  282    HG   LEU  44           HG       LEU  44  11.982   9.775   9.775
  283   1HD1  LEU  44          HD13      LEU  44  14.262  10.029  10.029
  284   2HD1  LEU  44          HD12      LEU  44  14.940  10.175  10.175
  285   3HD1  LEU  44          HD11      LEU  44  13.771  11.362  11.362
  286   1HD2  LEU  44          HD23      LEU  44  13.440   8.892   8.892
  287   2HD2  LEU  44          HD22      LEU  44  11.805   9.535   9.535
  288   3HD2  LEU  44          HD21      LEU  44  13.191  10.625  10.625
  289    H    ALA  45           HN       ALA  45   9.471   8.213   8.213
  290    HA   ALA  45           HA       ALA  45   9.505   7.840   7.840
  291   1HB   ALA  45           HB2      ALA  45   7.289   7.380   7.380
  292   2HB   ALA  45           HB1      ALA  45   6.954   7.619   7.619
  293   3HB   ALA  45           HB3      ALA  45   7.939   6.252   6.252
  294    H    HIS  46           HN       HIS  46   7.843   9.321   9.321
  295    HA   HIS  46           HA       HIS  46   7.676  11.943  11.943
  296   1HB   HIS  46           HB2      HIS  46   9.464  12.136  12.136
  297   2HB   HIS  46           HB1      HIS  46   8.466  11.405  11.405
  298    HD1  HIS  46           HD1      HIS  46   7.092  13.981  13.981
  299    HD2  HIS  46           HD2      HIS  46   8.414  13.730  13.730
  300    HE1  HIS  46           HE1      HIS  46   6.414  16.072  16.072
  301    H    SER  47           HN       SER  47   5.533  12.330  12.330
  302    HA   SER  47           HA       SER  47   3.352  11.048  11.048
  303   1HB   SER  47           HB2      SER  47   3.792  13.740  13.740
  304   2HB   SER  47           HB1      SER  47   2.324  13.548  13.548
  305    HG   SER  47           HG       SER  47   1.515  12.459  12.459
  306    H    LEU  48           HN       LEU  48   5.395  13.422  13.422
  307    HA   LEU  48           HA       LEU  48   5.429  14.197  14.197
  308   1HB   LEU  48           HB2      LEU  48   3.788  11.682  11.682
  309   2HB   LEU  48           HB1      LEU  48   3.972  12.735  12.735
  310    HG   LEU  48           HG       LEU  48   6.290  11.639  11.639
  311   1HD1  LEU  48          HD12      LEU  48   5.136  10.733  10.733
  312   2HD1  LEU  48          HD11      LEU  48   6.641  10.143  10.143
  313   3HD1  LEU  48          HD13      LEU  48   5.106   9.820   9.820
  314   1HD2  LEU  48          HD23      LEU  48   6.201  13.822  13.822
  315   2HD2  LEU  48          HD22      LEU  48   7.645  12.859  12.859
  316   3HD2  LEU  48          HD21      LEU  48   6.656  12.538  12.538
  317    H    THR  49           HN       THR  49   3.129  14.797  14.797
  318    HA   THR  49           HA       THR  49   1.317  16.054  16.054
  319    HB   THR  49           HB       THR  49   0.554  15.221  15.221
  320    HG1  THR  49           HG1      THR  49  -0.491  13.492  13.492
  321   1HG2  THR  49          HG22      THR  49  -0.654  17.049  17.049
  322   2HG2  THR  49          HG21      THR  49  -1.398  15.593  15.593
  323   3HG2  THR  49          HG23      THR  49  -1.558  15.966  15.966
  324    H    THR  50           HN       THR  50   2.305  16.377  16.377
  325    HA   THR  50           HA       THR  50   1.840  19.267  19.267
  326    HB   THR  50           HB       THR  50   2.817  19.167  19.167
  327    HG1  THR  50           HG1      THR  50   2.970  16.951  16.951
  328   1HG2  THR  50          HG22      THR  50   0.345  18.770  18.770
  329   2HG2  THR  50          HG21      THR  50   0.672  17.082  17.082
  330   3HG2  THR  50          HG23      THR  50   0.829  18.327  18.327
  331    H    GLY  51           HN       GLY  51   4.620  17.073  17.073
  332   1HA   GLY  51           HA2      GLY  51   6.630  17.726  17.726
  333   2HA   GLY  51           HA1      GLY  51   6.302  19.400  19.400
  334    H    GLN  52           HN       GLN  52   5.794  17.099  17.099
  335    HA   GLN  52           HA       GLN  52   8.378  17.940  17.940
  336   1HB   GLN  52           HB2      GLN  52   5.811  17.072  17.072
  337   2HB   GLN  52           HB1      GLN  52   7.275  17.637  17.637
  338   1HG   GLN  52           HG2      GLN  52   6.444  19.525  19.525
  339   2HG   GLN  52           HG1      GLN  52   5.125  19.216  19.216
  340   1HE2  GLN  52          HE22      GLN  52   8.630  20.539  20.539
  341   2HE2  GLN  52          HE21      GLN  52   8.702  19.368  19.368
  342    H    THR  53           HN       THR  53   9.740  16.344  16.344
  343    HA   THR  53           HA       THR  53   9.186  13.601  13.601
  344    HB   THR  53           HB       THR  53  11.524  15.069  15.069
  345    HG1  THR  53           HG1      THR  53  11.001  13.416  13.416
  346   1HG2  THR  53          HG22      THR  53  11.222  12.050  12.050
  347   2HG2  THR  53          HG21      THR  53  12.747  12.900  12.900
  348   3HG2  THR  53          HG23      THR  53  11.449  13.057  13.057
  349    H    GLY  54           HN       GLY  54   9.320  11.764  11.764
  350   1HA   GLY  54           HA2      GLY  54   9.161  12.147  12.147
  351   2HA   GLY  54           HA1      GLY  54   7.544  11.954  11.954
  352    H    TYR  55           HN       TYR  55   9.881  10.235  10.235
  353    HA   TYR  55           HA       TYR  55   9.965   7.870   7.870
  354   1HB   TYR  55           HB2      TYR  55  10.493   7.746   7.746
  355   2HB   TYR  55           HB1      TYR  55  11.362   6.979   6.979
  356    HD1  TYR  55           HD2      TYR  55  11.644   9.467   9.467
  357    HD2  TYR  55           HD1      TYR  55  12.357   8.842   8.842
  358    HE1  TYR  55           HE2      TYR  55  13.267  11.306  11.306
  359    HE2  TYR  55           HE1      TYR  55  13.977  10.681  10.681
  360    HH   TYR  55           HH       TYR  55  14.154  12.980  12.980
  361    H    ILE  56           HN       ILE  56   8.636   6.057   6.057
  362    HA   ILE  56           HA       ILE  56   6.423   6.221   6.221
  363    HB   ILE  56           HB       ILE  56   4.913   5.260   5.260
  364   1HG1  ILE  56          HG12      ILE  56   6.794   3.840   3.840
  365   2HG1  ILE  56          HG11      ILE  56   5.553   4.457   4.457
  366   1HG2  ILE  56          HG22      ILE  56   6.540   7.639   7.639
  367   2HG2  ILE  56          HG21      ILE  56   5.381   7.004   7.004
  368   3HG2  ILE  56          HG23      ILE  56   4.831   7.544   7.544
  369   1HD1  ILE  56          HD11      ILE  56   7.627   6.430   6.430
  370   2HD1  ILE  56          HD13      ILE  56   8.360   4.877   4.877
  371   3HD1  ILE  56          HD12      ILE  56   7.111   5.555   5.555
  372    HA   PRO  57           HA       PRO  57   7.762   2.338   2.338
  373   1HB   PRO  57           HB2      PRO  57   5.074   1.413   1.413
  374   2HB   PRO  57           HB1      PRO  57   6.231   2.045   2.045
  375   1HG   PRO  57           HG2      PRO  57   3.866   3.345   3.345
  376   2HG   PRO  57           HG1      PRO  57   5.027   3.980   3.980
  377   1HD   PRO  57           HD1      PRO  57   4.672   4.779   4.779
  378   2HD   PRO  57           HD2      PRO  57   5.843   5.411   5.411
  379    H    SER  58           HN       SER  58   8.276   0.480   0.480
  380    HA   SER  58           HA       SER  58   7.158  -0.068  -0.068
  381   1HB   SER  58           HB2      SER  58   8.811  -1.637  -1.637
  382   2HB   SER  58           HB1      SER  58   9.436  -0.822  -0.822
  383    HG   SER  58           HG       SER  58   9.180  -3.164  -3.164
  384    H    ASN  59           HN       ASN  59   6.523  -1.366  -1.366
  385    HA   ASN  59           HA       ASN  59   4.773  -3.480  -3.480
  386   1HB   ASN  59           HB2      ASN  59   6.021  -3.040  -3.040
  387   2HB   ASN  59           HB1      ASN  59   4.420  -2.411  -2.411
  388   1HD2  ASN  59          HD22      ASN  59   4.501  -6.128  -6.128
  389   2HD2  ASN  59          HD21      ASN  59   5.446  -4.831  -4.831
  390    H    TYR  60           HN       TYR  60   4.403  -0.201  -0.201
  391    HA   TYR  60           HA       TYR  60   1.459  -0.357  -0.357
  392   1HB   TYR  60           HB2      TYR  60   3.495   1.765   1.765
  393   2HB   TYR  60           HB1      TYR  60   1.947   2.302   2.302
  394    HD1  TYR  60           HD1      TYR  60   3.301   0.076   0.076
  395    HD2  TYR  60           HD2      TYR  60   0.219   2.760   2.760
  396    HE1  TYR  60           HE1      TYR  60   2.315  -0.070  -0.070
  397    HE2  TYR  60           HE2      TYR  60  -0.766   2.614   2.614
  398    HH   TYR  60           HH       TYR  60   0.270   2.030   2.030
  399    H    VAL  61           HN       VAL  61   3.758  -0.339  -0.339
  400    HA   VAL  61           HA       VAL  61   1.681   0.569   0.569
  401    HB   VAL  61           HB       VAL  61   3.173   2.403   2.403
  402   1HG1  VAL  61          HG12      VAL  61   4.935   0.938   0.938
  403   2HG1  VAL  61          HG11      VAL  61   5.593   0.655   0.655
  404   3HG1  VAL  61          HG13      VAL  61   5.487   2.298   2.298
  405   1HG2  VAL  61          HG23      VAL  61   2.717   1.524   1.524
  406   2HG2  VAL  61          HG22      VAL  61   4.297   2.302   2.302
  407   3HG2  VAL  61          HG21      VAL  61   4.180   0.543   0.543
  408    H    ALA  62           HN       ALA  62   2.186  -0.257  -0.257
  409    HA   ALA  62           HA       ALA  62   3.926  -2.624  -2.624
  410   1HB   ALA  62           HB1      ALA  62   1.806  -3.485  -3.485
  411   2HB   ALA  62           HB3      ALA  62   0.932  -2.900  -2.900
  412   3HB   ALA  62           HB2      ALA  62   2.135  -4.179  -4.179
  413    HA   PRO  63           HA       PRO  63   4.306  -1.288  -1.288
  414   1HB   PRO  63           HB2      PRO  63   4.510  -3.968  -3.968
  415   2HB   PRO  63           HB1      PRO  63   5.815  -2.814  -2.814
  416   1HG   PRO  63           HG2      PRO  63   5.183  -5.193  -5.193
  417   2HG   PRO  63           HG1      PRO  63   6.470  -4.026  -4.026
  418   1HD   PRO  63           HD1      PRO  63   4.017  -4.410  -4.410
  419   2HD   PRO  63           HD2      PRO  63   5.321  -3.252  -3.252
  420    H    SER  64           HN       SER  64   2.231  -0.538  -0.538
  421    HA   SER  64           HA       SER  64   0.075  -0.602  -0.602
  422   1HB   SER  64           HB2      SER  64   1.348  -1.299  -1.299
  423   2HB   SER  64           HB1      SER  64   1.340  -2.971  -2.971
  424    HG   SER  64           HG       SER  64  -0.325  -2.304  -2.304
  425   1H    ARG  71           HT1      ARG  71  14.073   3.059   3.059
  426   2H    ARG  71           HT3      ARG  71  14.773   4.105   4.105
  427   3H    ARG  71           HT2      ARG  71  13.912   4.740   4.740
  428    HA   ARG  71           HA       ARG  71  12.113   4.801   4.801
  429   1HB   ARG  71           HB2      ARG  71  14.022   4.362   4.362
  430   2HB   ARG  71           HB1      ARG  71  13.073   2.890   2.890
  431   1HG   ARG  71           HG2      ARG  71  12.046   4.434   4.434
  432   2HG   ARG  71           HG1      ARG  71  11.015   4.463   4.463
  433   1HD   ARG  71           HD2      ARG  71  11.329   6.739   6.739
  434   2HD   ARG  71           HD1      ARG  71  12.687   6.388   6.388
  435    HE   ARG  71           HE       ARG  71  14.145   6.830   6.830
  436   1HH1  ARG  71          HH21      ARG  71  10.905   6.278   6.278
  437   2HH1  ARG  71          HH22      ARG  71  11.234   6.714   6.714
  438   1HH2  ARG  71          HH11      ARG  71  14.584   7.401   7.401
  439   2HH2  ARG  71          HH12      ARG  71  13.313   7.349   7.349
  440    H    ALA  72           HN       ALA  72  10.253   3.717   3.717
  441    HA   ALA  72           HA       ALA  72  10.406   0.736   0.736
  442   1HB   ALA  72           HB3      ALA  72   9.542   2.752   2.752
  443   2HB   ALA  72           HB2      ALA  72   8.294   1.544   1.544
  444   3HB   ALA  72           HB1      ALA  72   9.890   1.041   1.041
  445    H    LEU  73           HN       LEU  73   8.871  -0.359  -0.359
  446    HA   LEU  73           HA       LEU  73   7.269   0.978   0.978
  447   1HB   LEU  73           HB2      LEU  73   7.643  -1.774  -1.774
  448   2HB   LEU  73           HB1      LEU  73   6.004  -1.456  -1.456
  449    HG   LEU  73           HG       LEU  73   7.807  -2.240  -2.240
  450   1HD1  LEU  73          HD11      LEU  73   5.436  -0.931  -0.931
  451   2HD1  LEU  73          HD13      LEU  73   6.510   0.221   0.221
  452   3HD1  LEU  73          HD12      LEU  73   6.404  -1.435  -1.435
  453   1HD2  LEU  73          HD21      LEU  73   9.350  -0.317  -0.317
  454   2HD2  LEU  73          HD23      LEU  73   9.282  -0.637  -0.637
  455   3HD2  LEU  73          HD22      LEU  73   8.372   0.709   0.709
  456    HA   PRO  74           HA       PRO  74   3.873   2.368   2.368
  457   1HB   PRO  74           HB2      PRO  74   2.065   2.311   2.311
  458   2HB   PRO  74           HB1      PRO  74   2.970   3.702   3.702
  459   1HG   PRO  74           HG2      PRO  74   3.393   2.211   2.211
  460   2HG   PRO  74           HG1      PRO  74   4.245   3.656   3.656
  461   1HD   PRO  74           HD1      PRO  74   5.217   0.939   0.939
  462   2HD   PRO  74           HD2      PRO  74   6.076   2.385   2.385
  463    HA   PRO  75           HA       PRO  75   1.425  -1.089  -1.089
  464   1HB   PRO  75           HB2      PRO  75  -1.080   0.330   0.330
  465   2HB   PRO  75           HB1      PRO  75  -0.028  -0.124  -0.124
  466   1HG   PRO  75           HG2      PRO  75  -0.451   2.510   2.510
  467   2HG   PRO  75           HG1      PRO  75   0.622   2.053   2.053
  468   1HD   PRO  75           HD1      PRO  75   1.353   2.834   2.834
  469   2HD   PRO  75           HD2      PRO  75   2.429   2.399   2.399
  470    H    LEU  76           HN       LEU  76   1.346  -2.382  -2.382
  471    HA   LEU  76           HA       LEU  76  -0.372  -1.664  -1.664
  472   1HB   LEU  76           HB2      LEU  76   1.232  -4.142  -4.142
  473   2HB   LEU  76           HB1      LEU  76   0.264  -3.995  -3.995
  474    HG   LEU  76           HG       LEU  76   2.190  -1.799  -1.799
  475   1HD1  LEU  76          HD13      LEU  76   2.886  -4.583  -4.583
  476   2HD1  LEU  76          HD12      LEU  76   3.834  -3.211  -3.211
  477   3HD1  LEU  76          HD11      LEU  76   3.728  -3.549  -3.549
  478   1HD2  LEU  76          HD22      LEU  76   1.190  -3.114  -3.114
  479   2HD2  LEU  76          HD21      LEU  76   0.707  -1.539  -1.539
  480   3HD2  LEU  76          HD23      LEU  76   2.352  -1.788  -1.788
  481    HA   PRO  77           HA       PRO  77  -4.130  -3.528  -3.528
  482   1HB   PRO  77           HB2      PRO  77  -4.541  -4.990  -4.990
  483   2HB   PRO  77           HB1      PRO  77  -5.249  -3.440  -3.440
  484   1HG   PRO  77           HG2      PRO  77  -3.197  -3.922  -3.922
  485   2HG   PRO  77           HG1      PRO  77  -3.915  -2.374  -2.374
  486   1HD   PRO  77           HD1      PRO  77  -1.272  -3.354  -3.354
  487   2HD   PRO  77           HD2      PRO  77  -1.993  -1.799  -1.799
  488    H    ARG  78           HN       ARG  78  -4.450  -5.317  -5.317
  489    HA   ARG  78           HA       ARG  78  -2.729  -7.688  -7.688
  490   1HB   ARG  78           HB2      ARG  78  -3.685  -8.408  -8.408
  491   2HB   ARG  78           HB1      ARG  78  -2.828  -6.867  -6.867
  492   1HG   ARG  78           HG2      ARG  78  -4.709  -5.730  -5.730
  493   2HG   ARG  78           HG1      ARG  78  -5.661  -6.562  -6.562
  494   1HD   ARG  78           HD2      ARG  78  -6.142  -8.379  -8.379
  495   2HD   ARG  78           HD1      ARG  78  -4.837  -7.955  -7.955
  496    HE   ARG  78           HE       ARG  78  -6.871  -5.876  -5.876
  497   1HH1  ARG  78          HH21      ARG  78  -5.915  -8.855  -8.855
  498   2HH1  ARG  78          HH22      ARG  78  -6.864  -8.604  -8.604
  499   1HH2  ARG  78          HH11      ARG  78  -8.113  -5.542  -5.542
  500   2HH2  ARG  78          HH12      ARG  78  -8.108  -6.732  -6.732
  501    H    TYR  79           HN       TYR  79  -3.909  -8.382  -8.382
  502    HA   TYR  79           HA       TYR  79  -5.539  -9.665  -9.665
  503   1HB   TYR  79           HB2      TYR  79  -5.805 -10.655 -10.655
  504   2HB   TYR  79           HB1      TYR  79  -6.680 -11.377 -11.377
  505    HD1  TYR  79           HD1      TYR  79  -4.919 -11.583 -11.583
  506    HD2  TYR  79           HD2      TYR  79  -3.918 -11.901 -11.901
  507    HE1  TYR  79           HE1      TYR  79  -2.933 -12.899 -12.899
  508    HE2  TYR  79           HE2      TYR  79  -1.933 -13.216 -13.216
  509    HH   TYR  79           HH       TYR  79  -0.408 -13.341 -13.341

  Start of MODEL   12
    1   1H    THR   9           HT1      THR   9   5.609   2.375   2.375
    2   2H    THR   9           HT3      THR   9   5.117   3.188   3.188
    3   3H    THR   9           HT2      THR   9   6.308   3.869   3.869
    4    HA   THR   9           HA       THR   9   4.817   4.830   4.830
    5    HB   THR   9           HB       THR   9   2.589   3.797   3.797
    6    HG1  THR   9           HG1      THR   9   4.858   5.182   5.182
    7   1HG2  THR   9          HG21      THR   9   2.486   5.578   5.578
    8   2HG2  THR   9          HG23      THR   9   3.211   6.649   6.649
    9   3HG2  THR   9          HG22      THR   9   1.646   5.901   5.901
   10    H    PHE  10           HN       PHE  10   4.750   3.747   3.747
   11    HA   PHE  10           HA       PHE  10   3.333   1.193   1.193
   12   1HB   PHE  10           HB2      PHE  10   4.777   3.002   3.002
   13   2HB   PHE  10           HB1      PHE  10   3.845   1.612   1.612
   14    HD1  PHE  10           HD1      PHE  10   6.125   2.199   2.199
   15    HD2  PHE  10           HD2      PHE  10   5.253  -0.192  -0.192
   16    HE1  PHE  10           HE1      PHE  10   8.002   0.716   0.716
   17    HE2  PHE  10           HE2      PHE  10   7.131  -1.672  -1.672
   18    HZ   PHE  10           HZ       PHE  10   8.507  -1.220  -1.220
   19    H    VAL  11           HN       VAL  11   1.941   1.336   1.336
   20    HA   VAL  11           HA       VAL  11   0.108   3.656   3.656
   21    HB   VAL  11           HB       VAL  11  -1.088   0.895   0.895
   22   1HG1  VAL  11          HG12      VAL  11  -1.996   3.646   3.646
   23   2HG1  VAL  11          HG11      VAL  11  -2.602   2.784   2.784
   24   3HG1  VAL  11          HG13      VAL  11  -2.939   2.170   2.170
   25   1HG2  VAL  11          HG21      VAL  11  -0.317   2.554   2.554
   26   2HG2  VAL  11          HG23      VAL  11   0.363   0.988   0.988
   27   3HG2  VAL  11          HG22      VAL  11  -1.328   1.109   1.109
   28    H    ALA  12           HN       ALA  12  -0.390   4.268   4.268
   29    HA   ALA  12           HA       ALA  12   0.479   2.681   2.681
   30   1HB   ALA  12           HB3      ALA  12  -0.938   5.302   5.302
   31   2HB   ALA  12           HB2      ALA  12  -0.904   4.547   4.547
   32   3HB   ALA  12           HB1      ALA  12   0.606   4.971   4.971
   33    H    LEU  13           HN       LEU  13  -0.681   0.779   0.779
   34    HA   LEU  13           HA       LEU  13  -3.509   0.543   0.543
   35   1HB   LEU  13           HB2      LEU  13  -1.804  -1.179  -1.179
   36   2HB   LEU  13           HB1      LEU  13  -3.321  -1.632  -1.632
   37    HG   LEU  13           HG       LEU  13  -0.908  -0.777  -0.777
   38   1HD1  LEU  13          HD13      LEU  13  -1.386  -3.277  -3.277
   39   2HD1  LEU  13          HD12      LEU  13  -1.077  -3.522  -3.522
   40   3HD1  LEU  13          HD11      LEU  13   0.103  -2.668  -2.668
   41   1HD2  LEU  13          HD23      LEU  13  -3.599  -1.951  -1.951
   42   2HD2  LEU  13          HD22      LEU  13  -2.669  -0.809  -0.809
   43   3HD2  LEU  13          HD21      LEU  13  -2.272  -2.527  -2.527
   44    H    TYR  14           HN       TYR  14  -1.573   1.079   1.079
   45    HA   TYR  14           HA       TYR  14  -4.124   1.631   1.631
   46   1HB   TYR  14           HB2      TYR  14  -1.503   1.276   1.276
   47   2HB   TYR  14           HB1      TYR  14  -3.130   0.878   0.878
   48    HD1  TYR  14           HD2      TYR  14  -3.972  -0.571  -0.571
   49    HD2  TYR  14           HD1      TYR  14  -0.519  -0.905  -0.905
   50    HE1  TYR  14           HE2      TYR  14  -3.627  -2.862  -2.862
   51    HE2  TYR  14           HE1      TYR  14  -0.191  -3.207  -3.207
   52    HH   TYR  14           HH       TYR  14  -2.025  -5.081  -5.081
   53    H    ASP  15           HN       ASP  15  -4.458   3.685   3.685
   54    HA   ASP  15           HA       ASP  15  -2.961   5.885   5.885
   55   1HB   ASP  15           HB2      ASP  15  -4.528   5.889   5.889
   56   2HB   ASP  15           HB1      ASP  15  -4.260   7.238   7.238
   57    H    TYR  16           HN       TYR  16  -1.046   6.756   6.756
   58    HA   TYR  16           HA       TYR  16   0.147   5.730   5.730
   59   1HB   TYR  16           HB2      TYR  16   1.457   5.279   5.279
   60   2HB   TYR  16           HB1      TYR  16   1.477   7.002   7.002
   61    HD1  TYR  16           HD1      TYR  16   2.023   5.040   5.040
   62    HD2  TYR  16           HD2      TYR  16   3.596   7.901   7.901
   63    HE1  TYR  16           HE1      TYR  16   3.988   5.328   5.328
   64    HE2  TYR  16           HE2      TYR  16   5.563   8.189   8.189
   65    HH   TYR  16           HH       TYR  16   5.804   7.605   7.605
   66    H    GLU  17           HN       GLU  17  -0.114   7.159   7.159
   67    HA   GLU  17           HA       GLU  17  -0.348  10.048  10.048
   68   1HB   GLU  17           HB2      GLU  17  -1.380   8.303   8.303
   69   2HB   GLU  17           HB1      GLU  17  -0.345   9.477   9.477
   70   1HG   GLU  17           HG2      GLU  17  -1.827  11.145  11.145
   71   2HG   GLU  17           HG1      GLU  17  -1.984  10.734  10.734
   72    H    SER  18           HN       SER  18   1.943  10.208  10.208
   73    HA   SER  18           HA       SER  18   4.237   9.574   9.574
   74   1HB   SER  18           HB2      SER  18   5.308  11.173  11.173
   75   2HB   SER  18           HB1      SER  18   3.777  11.124  11.124
   76    HG   SER  18           HG       SER  18   3.108  12.815  12.815
   77    H    ARG  19           HN       ARG  19   5.109  10.101  10.101
   78    HA   ARG  19           HA       ARG  19   3.627  12.066  12.066
   79   1HB   ARG  19           HB2      ARG  19   4.899   9.542   9.542
   80   2HB   ARG  19           HB1      ARG  19   5.689  10.780  10.780
   81   1HG   ARG  19           HG2      ARG  19   3.951  10.625  10.625
   82   2HG   ARG  19           HG1      ARG  19   2.952  11.366  11.366
   83   1HD   ARG  19           HD2      ARG  19   1.879   9.423   9.423
   84   2HD   ARG  19           HD1      ARG  19   3.394   8.524   8.524
   85    HE   ARG  19           HE       ARG  19   3.064   8.952   8.952
   86   1HH1  ARG  19          HH21      ARG  19   1.090   7.721   7.721
   87   2HH1  ARG  19          HH22      ARG  19   0.206   6.645   6.645
   88   1HH2  ARG  19          HH11      ARG  19   1.917   7.553   7.553
   89   2HH2  ARG  19          HH12      ARG  19   0.673   6.550   6.550
   90    H    THR  20           HN       THR  20   5.370  13.042  13.042
   91    HA   THR  20           HA       THR  20   6.901  14.952  14.952
   92    HB   THR  20           HB       THR  20   8.367  12.968  12.968
   93    HG1  THR  20           HG1      THR  20   9.748  14.557  14.557
   94   1HG2  THR  20          HG21      THR  20   8.029  12.818  12.818
   95   2HG2  THR  20          HG23      THR  20   9.651  12.490  12.490
   96   3HG2  THR  20          HG22      THR  20   8.288  11.526  11.526
   97    H    GLU  21           HN       GLU  21   8.472  16.139  16.139
   98    HA   GLU  21           HA       GLU  21   6.885  16.589  16.589
   99   1HB   GLU  21           HB2      GLU  21   8.498  18.202  18.202
  100   2HB   GLU  21           HB1      GLU  21   9.329  18.125  18.125
  101   1HG   GLU  21           HG2      GLU  21   7.787  19.459  19.459
  102   2HG   GLU  21           HG1      GLU  21   6.469  18.446  18.446
  103    H    THR  22           HN       THR  22   9.172  14.394  14.394
  104    HA   THR  22           HA       THR  22  10.866  14.654  14.654
  105    HB   THR  22           HB       THR  22  10.928  12.084  12.084
  106    HG1  THR  22           HG1      THR  22  11.877  14.255  14.255
  107   1HG2  THR  22          HG22      THR  22  12.746  14.131  14.131
  108   2HG2  THR  22          HG21      THR  22  13.358  13.287  13.287
  109   3HG2  THR  22          HG23      THR  22  12.888  12.373  12.373
  110    H    ASP  23           HN       ASP  23   9.102  11.767  11.767
  111    HA   ASP  23           HA       ASP  23   8.741  10.751  10.751
  112   1HB   ASP  23           HB2      ASP  23   7.145  10.080  10.080
  113   2HB   ASP  23           HB1      ASP  23   7.275   9.095   9.095
  114    H    LEU  24           HN       LEU  24   6.900  10.807  10.807
  115    HA   LEU  24           HA       LEU  24   5.104  13.102  13.102
  116   1HB   LEU  24           HB2      LEU  24   5.853  11.423  11.423
  117   2HB   LEU  24           HB1      LEU  24   4.259  12.176  12.176
  118    HG   LEU  24           HG       LEU  24   6.872  13.644  13.644
  119   1HD1  LEU  24          HD11      LEU  24   5.608  12.763  12.763
  120   2HD1  LEU  24          HD13      LEU  24   5.483  14.519  14.519
  121   3HD1  LEU  24          HD12      LEU  24   7.064  13.743  13.743
  122   1HD2  LEU  24          HD23      LEU  24   4.092  14.314  14.314
  123   2HD2  LEU  24          HD22      LEU  24   5.533  15.257  15.257
  124   3HD2  LEU  24          HD21      LEU  24   4.788  15.384  15.384
  125    H    SER  25           HN       SER  25   2.928  12.896  12.896
  126    HA   SER  25           HA       SER  25   1.982  10.200  10.200
  127   1HB   SER  25           HB2      SER  25  -0.007  12.290  12.290
  128   2HB   SER  25           HB1      SER  25   0.751  11.319  11.319
  129    HG   SER  25           HG       SER  25   1.346  13.404  13.404
  130    H    PHE  26           HN       PHE  26   0.367   9.096   9.096
  131    HA   PHE  26           HA       PHE  26  -0.954  10.505  10.505
  132   1HB   PHE  26           HB2      PHE  26  -0.614   8.264   8.264
  133   2HB   PHE  26           HB1      PHE  26   0.742   9.390   9.390
  134    HD1  PHE  26           HD2      PHE  26  -0.714   6.339   6.339
  135    HD2  PHE  26           HD1      PHE  26   2.768   8.757   8.757
  136    HE1  PHE  26           HE2      PHE  26   0.621   4.583   4.583
  137    HE2  PHE  26           HE1      PHE  26   4.103   6.998   6.998
  138    HZ   PHE  26           HZ       PHE  26   3.031   4.910   4.910
  139    H    LYS  27           HN       LYS  27  -2.731   8.945   8.945
  140    HA   LYS  27           HA       LYS  27  -4.082   7.657   7.657
  141   1HB   LYS  27           HB2      LYS  27  -6.138   8.076   8.076
  142   2HB   LYS  27           HB1      LYS  27  -5.522   9.385   9.385
  143   1HG   LYS  27           HG2      LYS  27  -4.505  10.458  10.458
  144   2HG   LYS  27           HG1      LYS  27  -4.344   8.969   8.969
  145   1HD   LYS  27           HD2      LYS  27  -6.090  10.063  10.063
  146   2HD   LYS  27           HD1      LYS  27  -6.962   9.000   9.000
  147   1HE   LYS  27           HE2      LYS  27  -6.209  11.680  11.680
  148   2HE   LYS  27           HE1      LYS  27  -7.474  11.645  11.645
  149   1HZ   LYS  27           HZ3      LYS  27  -7.808   9.597   9.597
  150   2HZ   LYS  27           HZ2      LYS  27  -7.804  11.146  11.146
  151   3HZ   LYS  27           HZ1      LYS  27  -8.912  10.771  10.771
  152    H    LYS  28           HN       LYS  28  -5.998   6.194   6.194
  153    HA   LYS  28           HA       LYS  28  -4.433   4.038   4.038
  154   1HB   LYS  28           HB2      LYS  28  -6.198   3.472   3.472
  155   2HB   LYS  28           HB1      LYS  28  -7.397   4.287   4.287
  156   1HG   LYS  28           HG2      LYS  28  -5.876   2.357   2.357
  157   2HG   LYS  28           HG1      LYS  28  -6.642   1.590   1.590
  158   1HD   LYS  28           HD2      LYS  28  -8.136   3.453   3.453
  159   2HD   LYS  28           HD1      LYS  28  -8.062   1.710   1.710
  160   1HE   LYS  28           HE2      LYS  28  -8.941   2.881   2.881
  161   2HE   LYS  28           HE1      LYS  28 -10.082   2.604   2.604
  162   1HZ   LYS  28           HZ2      LYS  28  -9.266   0.272   0.272
  163   2HZ   LYS  28           HZ1      LYS  28  -8.386   0.590   0.590
  164   3HZ   LYS  28           HZ3      LYS  28 -10.081   0.689   0.689
  165    H    GLY  29           HN       GLY  29  -4.131   3.862   3.862
  166   1HA   GLY  29           HA2      GLY  29  -5.002   3.724   3.724
  167   2HA   GLY  29           HA1      GLY  29  -6.252   4.885   4.885
  168    H    GLU  30           HN       GLU  30  -3.426   5.968   5.968
  169    HA   GLU  30           HA       GLU  30  -3.150   8.054   8.054
  170   1HB   GLU  30           HB2      GLU  30  -3.020   8.463   8.463
  171   2HB   GLU  30           HB1      GLU  30  -1.451   7.658   7.658
  172   1HG   GLU  30           HG2      GLU  30  -0.890   9.932   9.932
  173   2HG   GLU  30           HG1      GLU  30  -0.891   9.332   9.332
  174    H    ARG  31           HN       ARG  31  -1.916   7.636   7.636
  175    HA   ARG  31           HA       ARG  31   0.127   5.551   5.551
  176   1HB   ARG  31           HB2      ARG  31  -1.118   7.345   7.345
  177   2HB   ARG  31           HB1      ARG  31   0.550   6.877   6.877
  178   1HG   ARG  31           HG2      ARG  31   0.005   4.678   4.678
  179   2HG   ARG  31           HG1      ARG  31  -1.253   4.699   4.699
  180   1HD   ARG  31           HD2      ARG  31  -2.830   4.986   4.986
  181   2HD   ARG  31           HD1      ARG  31  -2.027   6.453   6.453
  182    HE   ARG  31           HE       ARG  31  -1.271   5.205   5.205
  183   1HH1  ARG  31          HH21      ARG  31  -1.873   3.177   3.177
  184   2HH1  ARG  31          HH22      ARG  31  -1.474   1.715   1.715
  185   1HH2  ARG  31          HH11      ARG  31  -0.751   3.304   3.304
  186   2HH2  ARG  31          HH12      ARG  31  -0.839   1.785   1.785
  187    H    LEU  32           HN       LEU  32   2.349   5.844   5.844
  188    HA   LEU  32           HA       LEU  32   3.327   8.662   8.662
  189   1HB   LEU  32           HB2      LEU  32   4.414   6.428   6.428
  190   2HB   LEU  32           HB1      LEU  32   4.613   8.167   8.167
  191    HG   LEU  32           HG       LEU  32   1.827   7.699   7.699
  192   1HD1  LEU  32          HD11      LEU  32   3.011   5.302   5.302
  193   2HD1  LEU  32          HD13      LEU  32   2.790   6.042   6.042
  194   3HD1  LEU  32          HD12      LEU  32   1.403   5.801   5.801
  195   1HD2  LEU  32          HD21      LEU  32   3.595   9.195   9.195
  196   2HD2  LEU  32          HD23      LEU  32   1.936   8.929   8.929
  197   3HD2  LEU  32          HD22      LEU  32   3.244   7.953   7.953
  198    H    GLN  33           HN       GLN  33   5.532   8.950   8.950
  199    HA   GLN  33           HA       GLN  33   6.385   6.917   6.917
  200   1HB   GLN  33           HB2      GLN  33   6.703   9.775   9.775
  201   2HB   GLN  33           HB1      GLN  33   8.277   9.009   9.009
  202   1HG   GLN  33           HG2      GLN  33   6.985   7.689   7.689
  203   2HG   GLN  33           HG1      GLN  33   5.925   9.097   9.097
  204   1HE2  GLN  33          HE22      GLN  33   8.939   9.616   9.616
  205   2HE2  GLN  33          HE21      GLN  33   7.891   8.291   8.291
  206    H    ILE  34           HN       ILE  34   6.989   5.307   5.307
  207    HA   ILE  34           HA       ILE  34   8.815   5.634   5.634
  208    HB   ILE  34           HB       ILE  34   8.414   3.326   3.326
  209   1HG1  ILE  34          HG12      ILE  34   6.536   3.825   3.825
  210   2HG1  ILE  34          HG11      ILE  34   7.323   2.340   2.340
  211   1HG2  ILE  34          HG21      ILE  34  10.387   3.710   3.710
  212   2HG2  ILE  34          HG23      ILE  34   9.595   2.139   2.139
  213   3HG2  ILE  34          HG22      ILE  34  10.533   2.763   2.763
  214   1HD1  ILE  34          HD11      ILE  34   8.709   4.378   4.378
  215   2HD1  ILE  34          HD13      ILE  34   7.018   4.872   4.872
  216   3HD1  ILE  34          HD12      ILE  34   7.510   3.299   3.299
  217    H    VAL  35           HN       VAL  35  11.102   5.528   5.528
  218    HA   VAL  35           HA       VAL  35  12.531   5.957   5.957
  219    HB   VAL  35           HB       VAL  35  13.144   7.196   7.196
  220   1HG1  VAL  35          HG12      VAL  35  14.903   6.628   6.628
  221   2HG1  VAL  35          HG11      VAL  35  14.392   8.267   8.267
  222   3HG1  VAL  35          HG13      VAL  35  15.112   7.929   7.929
  223   1HG2  VAL  35          HG22      VAL  35  11.367   7.960   7.960
  224   2HG2  VAL  35          HG21      VAL  35  11.648   8.768   8.768
  225   3HG2  VAL  35          HG23      VAL  35  12.667   9.142   9.142
  226    H    ASN  36           HN       ASN  36  12.850   4.800   4.800
  227    HA   ASN  36           HA       ASN  36  15.149   3.116   3.116
  228   1HB   ASN  36           HB2      ASN  36  15.037   4.822   4.822
  229   2HB   ASN  36           HB1      ASN  36  14.574   3.298   3.298
  230   1HD2  ASN  36          HD22      ASN  36  18.429   3.913   3.913
  231   2HD2  ASN  36          HD21      ASN  36  17.262   5.146   5.146
  232    H    ASN  37           HN       ASN  37  15.116   0.871   0.871
  233    HA   ASN  37           HA       ASN  37  13.015  -0.372  -0.372
  234   1HB   ASN  37           HB2      ASN  37  11.905  -1.502  -1.502
  235   2HB   ASN  37           HB1      ASN  37  11.546   0.217   0.217
  236   1HD2  ASN  37          HD22      ASN  37  13.459  -1.096  -1.096
  237   2HD2  ASN  37          HD21      ASN  37  12.894  -2.165  -2.165
  238    H    THR  38           HN       THR  38  14.366  -1.917  -1.917
  239    HA   THR  38           HA       THR  38  15.603  -3.789  -3.789
  240    HB   THR  38           HB       THR  38  17.084  -1.809  -1.809
  241    HG1  THR  38           HG1      THR  38  18.260  -4.024  -4.024
  242   1HG2  THR  38          HG22      THR  38  17.509  -4.633  -4.633
  243   2HG2  THR  38          HG21      THR  38  18.794  -3.426  -3.426
  244   3HG2  THR  38          HG23      THR  38  17.311  -3.161  -3.161
  245    H    GLU  39           HN       GLU  39  15.451  -3.156  -3.156
  246    HA   GLU  39           HA       GLU  39  13.960  -5.634  -5.634
  247   1HB   GLU  39           HB2      GLU  39  16.813  -5.673  -5.673
  248   2HB   GLU  39           HB1      GLU  39  16.210  -5.843  -5.843
  249   1HG   GLU  39           HG2      GLU  39  14.772  -7.430  -7.430
  250   2HG   GLU  39           HG1      GLU  39  16.438  -7.923  -7.923
  251    H    GLY  40           HN       GLY  40  15.784  -2.943  -2.943
  252   1HA   GLY  40           HA2      GLY  40  14.949  -2.986  -2.986
  253   2HA   GLY  40           HA1      GLY  40  15.155  -1.487  -1.487
  254    H    ASP  41           HN       ASP  41  13.168  -1.653  -1.653
  255    HA   ASP  41           HA       ASP  41  10.646  -2.079  -2.079
  256   1HB   ASP  41           HB2      ASP  41  11.162  -1.710  -1.710
  257   2HB   ASP  41           HB1      ASP  41   9.558  -1.875  -1.875
  258    H    TRP  42           HN       TRP  42  12.491   0.258   0.258
  259    HA   TRP  42           HA       TRP  42  10.420   2.342   2.342
  260   1HB   TRP  42           HB2      TRP  42  13.161   2.491   2.491
  261   2HB   TRP  42           HB1      TRP  42  12.149   3.909   3.909
  262    HD1  TRP  42           HD1      TRP  42  12.542   0.926   0.926
  263    HE1  TRP  42           HE1      TRP  42  10.725   1.137   1.137
  264    HE3  TRP  42           HE3      TRP  42   9.917   4.589   4.589
  265    HZ2  TRP  42           HZ2      TRP  42   8.311   2.764   2.764
  266    HZ3  TRP  42           HZ3      TRP  42   7.881   5.498   5.498
  267    HH2  TRP  42           HH2      TRP  42   7.078   4.587   4.587
  268    H    TRP  43           HN       TRP  43  10.355   3.383   3.383
  269    HA   TRP  43           HA       TRP  43  12.921   3.635   3.635
  270   1HB   TRP  43           HB2      TRP  43  10.144   3.131   3.131
  271   2HB   TRP  43           HB1      TRP  43  11.589   3.409   3.409
  272    HD1  TRP  43           HD1      TRP  43  13.690   1.593   1.593
  273    HE1  TRP  43           HE1      TRP  43  13.340  -0.913  -0.913
  274    HE3  TRP  43           HE3      TRP  43   8.888   1.522   1.522
  275    HZ2  TRP  43           HZ2      TRP  43  11.141  -2.812  -2.812
  276    HZ3  TRP  43           HZ3      TRP  43   7.627  -0.571  -0.571
  277    HH2  TRP  43           HH2      TRP  43   8.754  -2.737  -2.737
  278    H    LEU  44           HN       LEU  44  12.708   5.455   5.455
  279    HA   LEU  44           HA       LEU  44  11.293   7.744   7.744
  280   1HB   LEU  44           HB2      LEU  44  13.690   8.090   8.090
  281   2HB   LEU  44           HB1      LEU  44  13.739   7.667   7.667
  282    HG   LEU  44           HG       LEU  44  11.837   9.690   9.690
  283   1HD1  LEU  44          HD11      LEU  44  12.522  10.159  10.159
  284   2HD1  LEU  44          HD13      LEU  44  14.174  10.422  10.422
  285   3HD1  LEU  44          HD12      LEU  44  12.884  11.502  11.502
  286   1HD2  LEU  44          HD21      LEU  44  14.792   9.665   9.665
  287   2HD2  LEU  44          HD23      LEU  44  13.447   9.544   9.544
  288   3HD2  LEU  44          HD22      LEU  44  13.777  11.071  11.071
  289    H    ALA  45           HN       ALA  45   9.508   8.415   8.415
  290    HA   ALA  45           HA       ALA  45   9.419   7.960   7.960
  291   1HB   ALA  45           HB2      ALA  45   7.348   7.638   7.638
  292   2HB   ALA  45           HB1      ALA  45   6.827   8.129   8.129
  293   3HB   ALA  45           HB3      ALA  45   7.689   6.607   6.607
  294    H    HIS  46           HN       HIS  46   8.316   9.611   9.611
  295    HA   HIS  46           HA       HIS  46   8.196  12.251  12.251
  296   1HB   HIS  46           HB2      HIS  46  10.086  12.312  12.312
  297   2HB   HIS  46           HB1      HIS  46   9.172  11.555  11.555
  298    HD1  HIS  46           HD1      HIS  46   8.950  14.714  14.714
  299    HD2  HIS  46           HD2      HIS  46   8.069  13.354  13.354
  300    HE1  HIS  46           HE1      HIS  46   8.153  16.666  16.666
  301    H    SER  47           HN       SER  47   6.300  13.374  13.374
  302    HA   SER  47           HA       SER  47   4.173  12.079  12.079
  303   1HB   SER  47           HB2      SER  47   4.277  13.913  13.913
  304   2HB   SER  47           HB1      SER  47   2.961  14.209  14.209
  305    HG   SER  47           HG       SER  47   2.139  12.687  12.687
  306    H    LEU  48           HN       LEU  48   4.129  12.726  12.726
  307    HA   LEU  48           HA       LEU  48   5.251  15.163  15.163
  308   1HB   LEU  48           HB2      LEU  48   3.073  13.458  13.458
  309   2HB   LEU  48           HB1      LEU  48   4.077  14.638  14.638
  310    HG   LEU  48           HG       LEU  48   5.176  12.228  12.228
  311   1HD1  LEU  48          HD13      LEU  48   3.701  12.041  12.041
  312   2HD1  LEU  48          HD12      LEU  48   5.270  12.417  12.417
  313   3HD1  LEU  48          HD11      LEU  48   5.088  10.998  10.998
  314   1HD2  LEU  48          HD22      LEU  48   6.382  14.288  14.288
  315   2HD2  LEU  48          HD21      LEU  48   6.798  14.010  14.010
  316   3HD2  LEU  48          HD23      LEU  48   7.204  12.802  12.802
  317    H    THR  49           HN       THR  49   2.000  14.315  14.315
  318    HA   THR  49           HA       THR  49   0.640  16.638  16.638
  319    HB   THR  49           HB       THR  49  -0.039  15.403  15.403
  320    HG1  THR  49           HG1      THR  49   0.121  14.155  14.155
  321   1HG2  THR  49          HG22      THR  49  -1.529  16.498  16.498
  322   2HG2  THR  49          HG21      THR  49  -2.338  15.537  15.537
  323   3HG2  THR  49          HG23      THR  49  -1.569  17.064  17.064
  324    H    THR  50           HN       THR  50   1.900  16.020  16.020
  325    HA   THR  50           HA       THR  50   1.655  18.818  18.818
  326    HB   THR  50           HB       THR  50   3.144  16.524  16.524
  327    HG1  THR  50           HG1      THR  50   0.875  17.713  17.713
  328   1HG2  THR  50          HG22      THR  50   3.885  18.967  18.967
  329   2HG2  THR  50          HG21      THR  50   2.342  19.098  19.098
  330   3HG2  THR  50          HG23      THR  50   3.533  17.906  17.906
  331    H    GLY  51           HN       GLY  51   4.613  16.798  16.798
  332   1HA   GLY  51           HA2      GLY  51   6.464  17.507  17.507
  333   2HA   GLY  51           HA1      GLY  51   6.019  19.172  19.172
  334    H    GLN  52           HN       GLN  52   6.182  16.540  16.540
  335    HA   GLN  52           HA       GLN  52   8.645  17.781  17.781
  336   1HB   GLN  52           HB2      GLN  52   5.973  17.421  17.421
  337   2HB   GLN  52           HB1      GLN  52   7.392  17.096  17.096
  338   1HG   GLN  52           HG2      GLN  52   7.957  19.292  19.292
  339   2HG   GLN  52           HG1      GLN  52   7.618  19.550  19.550
  340   1HE2  GLN  52          HE22      GLN  52   4.435  19.839  19.839
  341   2HE2  GLN  52          HE21      GLN  52   5.669  18.720  18.720
  342    H    THR  53           HN       THR  53  10.051  16.293  16.293
  343    HA   THR  53           HA       THR  53   9.610  13.493  13.493
  344    HB   THR  53           HB       THR  53  11.860  15.172  15.172
  345    HG1  THR  53           HG1      THR  53  11.514  12.470  12.470
  346   1HG2  THR  53          HG23      THR  53  11.676  12.781  12.781
  347   2HG2  THR  53          HG22      THR  53  13.210  13.518  13.518
  348   3HG2  THR  53          HG21      THR  53  12.016  14.457  14.457
  349    H    GLY  54           HN       GLY  54   9.625  11.733  11.733
  350   1HA   GLY  54           HA2      GLY  54   9.457  12.263  12.263
  351   2HA   GLY  54           HA1      GLY  54   7.855  12.022  12.022
  352    H    TYR  55           HN       TYR  55  10.358  10.423  10.423
  353    HA   TYR  55           HA       TYR  55  10.528   7.985   7.985
  354   1HB   TYR  55           HB2      TYR  55  10.724   8.257   8.257
  355   2HB   TYR  55           HB1      TYR  55  11.504   7.059   7.059
  356    HD1  TYR  55           HD2      TYR  55  13.084   8.076   8.076
  357    HD2  TYR  55           HD1      TYR  55  11.946  10.159  10.159
  358    HE1  TYR  55           HE2      TYR  55  15.049   9.523   9.523
  359    HE2  TYR  55           HE1      TYR  55  13.901  11.619  11.619
  360    HH   TYR  55           HH       TYR  55  15.424  12.293  12.293
  361    H    ILE  56           HN       ILE  56   8.736   6.803   6.803
  362    HA   ILE  56           HA       ILE  56   6.481   6.721   6.721
  363    HB   ILE  56           HB       ILE  56   5.240   5.651   5.651
  364   1HG1  ILE  56          HG12      ILE  56   7.042   6.026   6.026
  365   2HG1  ILE  56          HG11      ILE  56   7.907   5.111   5.111
  366   1HG2  ILE  56          HG21      ILE  56   6.611   8.255   8.255
  367   2HG2  ILE  56          HG23      ILE  56   5.993   7.632   7.632
  368   3HG2  ILE  56          HG22      ILE  56   4.899   7.869   7.869
  369   1HD1  ILE  56          HD13      ILE  56   5.195   4.137   4.137
  370   2HD1  ILE  56          HD12      ILE  56   5.984   4.124   4.124
  371   3HD1  ILE  56          HD11      ILE  56   6.709   3.260   3.260
  372    HA   PRO  57           HA       PRO  57   7.867   2.809   2.809
  373   1HB   PRO  57           HB2      PRO  57   5.247   2.161   2.161
  374   2HB   PRO  57           HB1      PRO  57   6.601   2.809   2.809
  375   1HG   PRO  57           HG2      PRO  57   4.178   4.174   4.174
  376   2HG   PRO  57           HG1      PRO  57   5.517   4.812   4.812
  377   1HD   PRO  57           HD1      PRO  57   4.849   5.428   5.428
  378   2HD   PRO  57           HD2      PRO  57   6.177   6.087   6.087
  379    H    SER  58           HN       SER  58   7.807   0.688   0.688
  380    HA   SER  58           HA       SER  58   6.283   0.248   0.248
  381   1HB   SER  58           HB2      SER  58   7.424  -1.939  -1.939
  382   2HB   SER  58           HB1      SER  58   8.569  -0.630  -0.630
  383    HG   SER  58           HG       SER  58   7.883  -1.174  -1.174
  384    H    ASN  59           HN       ASN  59   5.853  -0.461  -0.461
  385    HA   ASN  59           HA       ASN  59   4.112  -2.729  -2.729
  386   1HB   ASN  59           HB2      ASN  59   4.930  -0.862  -0.862
  387   2HB   ASN  59           HB1      ASN  59   3.241  -1.340  -1.340
  388   1HD2  ASN  59          HD21      ASN  59   4.017  -2.570  -2.570
  389   2HD2  ASN  59          HD22      ASN  59   4.711  -4.104  -4.104
  390    H    TYR  60           HN       TYR  60   3.539   0.743   0.743
  391    HA   TYR  60           HA       TYR  60   0.617   0.234   0.234
  392   1HB   TYR  60           HB2      TYR  60   2.269   2.749   2.749
  393   2HB   TYR  60           HB1      TYR  60   0.552   2.797   2.797
  394    HD1  TYR  60           HD1      TYR  60   1.226  -0.072  -0.072
  395    HD2  TYR  60           HD2      TYR  60   0.650   4.127   4.127
  396    HE1  TYR  60           HE1      TYR  60   0.666  -0.344  -0.344
  397    HE2  TYR  60           HE2      TYR  60   0.091   3.855   3.855
  398    HH   TYR  60           HH       TYR  60  -0.887   1.855   1.855
  399    H    VAL  61           HN       VAL  61   3.133   0.069   0.069
  400    HA   VAL  61           HA       VAL  61   1.446   1.080   1.080
  401    HB   VAL  61           HB       VAL  61   3.646   2.383   2.383
  402   1HG1  VAL  61          HG12      VAL  61   4.844   0.007   0.007
  403   2HG1  VAL  61          HG11      VAL  61   4.935   0.583   0.583
  404   3HG1  VAL  61          HG13      VAL  61   5.663   1.526   1.526
  405   1HG2  VAL  61          HG23      VAL  61   2.289   1.839   1.839
  406   2HG2  VAL  61          HG22      VAL  61   2.877   3.369   3.369
  407   3HG2  VAL  61          HG21      VAL  61   3.972   2.309   2.309
  408    H    ALA  62           HN       ALA  62   3.009   0.137   0.137
  409    HA   ALA  62           HA       ALA  62   3.997  -2.488  -2.488
  410   1HB   ALA  62           HB2      ALA  62   0.998  -2.338  -2.338
  411   2HB   ALA  62           HB1      ALA  62   1.953  -3.742  -3.742
  412   3HB   ALA  62           HB3      ALA  62   1.881  -3.257  -3.257
  413    HA   PRO  63           HA       PRO  63   4.859  -1.491  -1.491
  414   1HB   PRO  63           HB2      PRO  63   4.936  -4.246  -4.246
  415   2HB   PRO  63           HB1      PRO  63   6.299  -3.179  -3.179
  416   1HG   PRO  63           HG2      PRO  63   5.316  -5.382  -5.382
  417   2HG   PRO  63           HG1      PRO  63   6.671  -4.310  -4.310
  418   1HD   PRO  63           HD1      PRO  63   4.070  -4.373  -4.373
  419   2HD   PRO  63           HD2      PRO  63   5.437  -3.307  -3.307
  420    H    SER  64           HN       SER  64   3.643  -1.179  -1.179
  421    HA   SER  64           HA       SER  64   1.534  -2.975  -2.975
  422   1HB   SER  64           HB2      SER  64   0.296  -2.033  -2.033
  423   2HB   SER  64           HB1      SER  64   0.771  -0.396  -0.396
  424    HG   SER  64           HG       SER  64  -0.972  -0.406  -0.406
  425   1H    ARG  71           HT3      ARG  71  13.711   2.394   2.394
  426   2H    ARG  71           HT2      ARG  71  14.225   1.819   1.819
  427   3H    ARG  71           HT1      ARG  71  14.628   3.394   3.394
  428    HA   ARG  71           HA       ARG  71  12.611   4.246   4.246
  429   1HB   ARG  71           HB2      ARG  71  13.619   2.842   2.842
  430   2HB   ARG  71           HB1      ARG  71  12.242   1.782   1.782
  431   1HG   ARG  71           HG2      ARG  71  11.763   3.541   3.541
  432   2HG   ARG  71           HG1      ARG  71  10.692   3.640   3.640
  433   1HD   ARG  71           HD2      ARG  71  11.435   5.709   5.709
  434   2HD   ARG  71           HD1      ARG  71  13.116   5.185   5.185
  435    HE   ARG  71           HE       ARG  71  12.390   5.380   5.380
  436   1HH1  ARG  71          HH21      ARG  71  12.197   7.434   7.434
  437   2HH1  ARG  71          HH22      ARG  71  12.348   8.896   8.896
  438   1HH2  ARG  71          HH11      ARG  71  12.588   7.281   7.281
  439   2HH2  ARG  71          HH12      ARG  71  12.570   8.810   8.810
  440    H    ALA  72           HN       ALA  72  12.099   0.711   0.711
  441    HA   ALA  72           HA       ALA  72  10.485  -0.426  -0.426
  442   1HB   ALA  72           HB2      ALA  72  10.812   1.728   1.728
  443   2HB   ALA  72           HB1      ALA  72   9.235   2.169   2.169
  444   3HB   ALA  72           HB3      ALA  72   9.423   0.673   0.673
  445    H    LEU  73           HN       LEU  73   9.564  -1.069  -1.069
  446    HA   LEU  73           HA       LEU  73   7.806   0.395   0.395
  447   1HB   LEU  73           HB2      LEU  73   8.437  -2.403  -2.403
  448   2HB   LEU  73           HB1      LEU  73   6.726  -2.202  -2.202
  449    HG   LEU  73           HG       LEU  73   8.448  -2.524  -2.524
  450   1HD1  LEU  73          HD12      LEU  73   5.892  -1.498  -1.498
  451   2HD1  LEU  73          HD11      LEU  73   6.740  -0.244  -0.244
  452   3HD1  LEU  73          HD13      LEU  73   6.704  -1.899  -1.899
  453   1HD2  LEU  73          HD23      LEU  73   9.554  -0.259  -0.259
  454   2HD2  LEU  73          HD22      LEU  73   9.757  -0.770  -0.770
  455   3HD2  LEU  73          HD21      LEU  73   8.521   0.416   0.416
  456    HA   PRO  74           HA       PRO  74   4.358   1.193   1.193
  457   1HB   PRO  74           HB2      PRO  74   2.546   1.367   1.367
  458   2HB   PRO  74           HB1      PRO  74   3.349   2.699   2.699
  459   1HG   PRO  74           HG2      PRO  74   3.878   1.677   1.677
  460   2HG   PRO  74           HG1      PRO  74   4.632   3.057   3.057
  461   1HD   PRO  74           HD1      PRO  74   5.785   0.464   0.464
  462   2HD   PRO  74           HD2      PRO  74   6.540   1.843   1.843
  463    HA   PRO  75           HA       PRO  75   2.535  -2.816  -2.816
  464   1HB   PRO  75           HB2      PRO  75   0.277  -1.749  -1.749
  465   2HB   PRO  75           HB1      PRO  75   1.698  -2.564  -2.564
  466   1HG   PRO  75           HG2      PRO  75   1.041   0.242   0.242
  467   2HG   PRO  75           HG1      PRO  75   2.465  -0.572  -0.572
  468   1HD   PRO  75           HD1      PRO  75   2.320   1.183   1.183
  469   2HD   PRO  75           HD2      PRO  75   3.754   0.390   0.390
  470    H    LEU  76           HN       LEU  76   1.229  -3.885  -3.885
  471    HA   LEU  76           HA       LEU  76  -0.360  -2.479  -2.479
  472   1HB   LEU  76           HB2      LEU  76  -0.234  -5.400  -5.400
  473   2HB   LEU  76           HB1      LEU  76  -1.224  -4.808  -4.808
  474    HG   LEU  76           HG       LEU  76   1.773  -4.410  -4.410
  475   1HD1  LEU  76          HD13      LEU  76   0.116  -6.559  -6.559
  476   2HD1  LEU  76          HD12      LEU  76   1.273  -5.895  -5.895
  477   3HD1  LEU  76          HD11      LEU  76   1.837  -6.552  -6.552
  478   1HD2  LEU  76          HD22      LEU  76  -0.321  -3.298  -3.298
  479   2HD2  LEU  76          HD21      LEU  76   1.307  -2.701  -2.701
  480   3HD2  LEU  76          HD23      LEU  76   1.055  -3.974  -3.974
  481    HA   PRO  77           HA       PRO  77  -4.237  -1.906  -1.906
  482   1HB   PRO  77           HB2      PRO  77  -5.801  -3.026  -3.026
  483   2HB   PRO  77           HB1      PRO  77  -5.490  -1.320  -1.320
  484   1HG   PRO  77           HG2      PRO  77  -4.400  -2.922  -2.922
  485   2HG   PRO  77           HG1      PRO  77  -4.095  -1.215  -1.215
  486   1HD   PRO  77           HD1      PRO  77  -2.304  -3.444  -3.444
  487   2HD   PRO  77           HD2      PRO  77  -1.999  -1.731  -1.731
  488    H    ARG  78           HN       ARG  78  -5.914  -3.102  -3.102
  489    HA   ARG  78           HA       ARG  78  -5.288  -5.733  -5.733
  490   1HB   ARG  78           HB2      ARG  78  -7.653  -5.819  -5.819
  491   2HB   ARG  78           HB1      ARG  78  -6.798  -4.353  -4.353
  492   1HG   ARG  78           HG2      ARG  78  -7.970  -3.855  -3.855
  493   2HG   ARG  78           HG1      ARG  78  -9.213  -4.588  -4.588
  494   1HD   ARG  78           HD2      ARG  78  -7.767  -2.707  -2.707
  495   2HD   ARG  78           HD1      ARG  78  -8.218  -1.910  -1.910
  496    HE   ARG  78           HE       ARG  78 -10.419  -3.403  -3.403
  497   1HH1  ARG  78          HH21      ARG  78  -8.614  -0.458  -0.458
  498   2HH1  ARG  78          HH22      ARG  78  -9.919   0.504   0.504
  499   1HH2  ARG  78          HH11      ARG  78 -12.127  -2.156  -2.156
  500   2HH2  ARG  78          HH12      ARG  78 -11.905  -0.454  -0.454
  501    H    TYR  79           HN       TYR  79  -4.946  -7.171  -7.171
  502    HA   TYR  79           HA       TYR  79  -7.211  -8.508  -8.508
  503   1HB   TYR  79           HB2      TYR  79  -7.289  -6.339  -6.339
  504   2HB   TYR  79           HB1      TYR  79  -5.745  -6.807  -6.807
  505    HD1  TYR  79           HD2      TYR  79  -8.681  -8.934  -8.934
  506    HD2  TYR  79           HD1      TYR  79  -6.261  -7.387  -7.387
  507    HE1  TYR  79           HE2      TYR  79  -9.856 -10.361 -10.361
  508    HE2  TYR  79           HE1      TYR  79  -7.435  -8.814  -8.814
  509    HH   TYR  79           HH       TYR  79  -8.874 -11.294 -11.294

  Start of MODEL   13
    1   1H    THR   9           HT3      THR   9   6.318   2.910   2.910
    2   2H    THR   9           HT2      THR   9   6.131   3.738   3.738
    3   3H    THR   9           HT1      THR   9   6.725   4.554   4.554
    4    HA   THR   9           HA       THR   9   4.692   5.111   5.111
    5    HB   THR   9           HB       THR   9   3.842   3.466   3.466
    6    HG1  THR   9           HG1      THR   9   4.585   5.091   5.091
    7   1HG2  THR   9          HG23      THR   9   2.392   5.349   5.349
    8   2HG2  THR   9          HG22      THR   9   1.907   5.225   5.225
    9   3HG2  THR   9          HG21      THR   9   1.857   3.800   3.800
   10    H    PHE  10           HN       PHE  10   4.600   3.985   3.985
   11    HA   PHE  10           HA       PHE  10   3.606   1.197   1.197
   12   1HB   PHE  10           HB2      PHE  10   4.911   3.003   3.003
   13   2HB   PHE  10           HB1      PHE  10   3.793   1.801   1.801
   14    HD1  PHE  10           HD2      PHE  10   5.436   0.993   0.993
   15    HD2  PHE  10           HD1      PHE  10   5.804   0.717   0.717
   16    HE1  PHE  10           HE2      PHE  10   7.150  -0.744  -0.744
   17    HE2  PHE  10           HE1      PHE  10   7.517  -1.023  -1.023
   18    HZ   PHE  10           HZ       PHE  10   8.195  -1.753  -1.753
   19    H    VAL  11           HN       VAL  11   1.960   0.908   0.908
   20    HA   VAL  11           HA       VAL  11  -0.148   3.010   3.010
   21    HB   VAL  11           HB       VAL  11  -0.461   0.009   0.009
   22   1HG1  VAL  11          HG13      VAL  11  -2.250   1.929   1.929
   23   2HG1  VAL  11          HG12      VAL  11  -2.956   1.311   1.311
   24   3HG1  VAL  11          HG11      VAL  11  -2.476   0.194   0.194
   25   1HG2  VAL  11          HG21      VAL  11  -0.755   2.401   2.401
   26   2HG2  VAL  11          HG23      VAL  11  -0.152   0.789   0.789
   27   3HG2  VAL  11          HG22      VAL  11  -1.886   1.067   1.067
   28    H    ALA  12           HN       ALA  12  -0.148   3.838   3.838
   29    HA   ALA  12           HA       ALA  12   0.652   2.634   2.634
   30   1HB   ALA  12           HB1      ALA  12  -0.138   5.046   5.046
   31   2HB   ALA  12           HB3      ALA  12  -1.773   4.434   4.434
   32   3HB   ALA  12           HB2      ALA  12  -0.579   4.311   4.311
   33    H    LEU  13           HN       LEU  13  -0.953   2.048   2.048
   34    HA   LEU  13           HA       LEU  13  -3.315   0.535   0.535
   35   1HB   LEU  13           HB2      LEU  13  -1.089  -0.764  -0.764
   36   2HB   LEU  13           HB1      LEU  13  -2.603  -1.525  -1.525
   37    HG   LEU  13           HG       LEU  13  -0.592  -0.404  -0.404
   38   1HD1  LEU  13          HD11      LEU  13  -0.838  -3.055  -3.055
   39   2HD1  LEU  13          HD13      LEU  13  -0.442  -3.057  -3.057
   40   3HD1  LEU  13          HD12      LEU  13   0.605  -2.218  -2.218
   41   1HD2  LEU  13          HD23      LEU  13  -2.951  -0.560  -0.560
   42   2HD2  LEU  13          HD22      LEU  13  -1.907  -1.697  -1.697
   43   3HD2  LEU  13          HD21      LEU  13  -2.964  -2.269  -2.269
   44    H    TYR  14           HN       TYR  14  -1.246   0.997   0.997
   45    HA   TYR  14           HA       TYR  14  -3.727   1.274   1.274
   46   1HB   TYR  14           HB2      TYR  14  -0.936   1.215   1.215
   47   2HB   TYR  14           HB1      TYR  14  -2.449   0.702   0.702
   48    HD1  TYR  14           HD2      TYR  14  -3.291  -0.728  -0.728
   49    HD2  TYR  14           HD1      TYR  14   0.069  -1.006  -1.006
   50    HE1  TYR  14           HE2      TYR  14  -2.851  -2.987  -2.987
   51    HE2  TYR  14           HE1      TYR  14   0.495  -3.283  -3.283
   52    HH   TYR  14           HH       TYR  14  -1.020  -5.175  -5.175
   53    H    ASP  15           HN       ASP  15  -4.402   3.277   3.277
   54    HA   ASP  15           HA       ASP  15  -3.271   5.679   5.679
   55   1HB   ASP  15           HB2      ASP  15  -5.522   5.593   5.593
   56   2HB   ASP  15           HB1      ASP  15  -4.900   5.136   5.136
   57    H    TYR  16           HN       TYR  16  -1.192   6.311   6.311
   58    HA   TYR  16           HA       TYR  16   0.107   5.630   5.630
   59   1HB   TYR  16           HB2      TYR  16   1.386   5.464   5.464
   60   2HB   TYR  16           HB1      TYR  16   1.152   7.188   7.188
   61    HD1  TYR  16           HD2      TYR  16   1.556   6.102   6.102
   62    HD2  TYR  16           HD1      TYR  16   3.670   7.411   7.411
   63    HE1  TYR  16           HE2      TYR  16   3.516   6.594   6.594
   64    HE2  TYR  16           HE1      TYR  16   5.629   7.905   7.905
   65    HH   TYR  16           HH       TYR  16   5.725   8.462   8.462
   66    H    GLU  17           HN       GLU  17  -0.386   6.937   6.937
   67    HA   GLU  17           HA       GLU  17  -0.705   9.861   9.861
   68   1HB   GLU  17           HB2      GLU  17  -1.750   9.682   9.682
   69   2HB   GLU  17           HB1      GLU  17  -2.706   9.235   9.235
   70   1HG   GLU  17           HG2      GLU  17  -2.092   6.874   6.874
   71   2HG   GLU  17           HG1      GLU  17  -1.100   7.309   7.309
   72    H    SER  18           HN       SER  18   1.728   9.904   9.904
   73    HA   SER  18           HA       SER  18   3.140   9.273   9.273
   74   1HB   SER  18           HB2      SER  18   4.162   9.499   9.499
   75   2HB   SER  18           HB1      SER  18   4.000  11.245  11.245
   76    HG   SER  18           HG       SER  18   5.735  11.194  11.194
   77    H    ARG  19           HN       ARG  19   4.262  11.003  11.003
   78    HA   ARG  19           HA       ARG  19   2.514  13.418  13.418
   79   1HB   ARG  19           HB2      ARG  19   3.961  11.953  11.953
   80   2HB   ARG  19           HB1      ARG  19   2.865  13.322  13.322
   81   1HG   ARG  19           HG2      ARG  19   0.987  12.043  12.043
   82   2HG   ARG  19           HG1      ARG  19   1.833  10.932  10.932
   83   1HD   ARG  19           HD2      ARG  19   2.869  10.863  10.863
   84   2HD   ARG  19           HD1      ARG  19   1.165  10.417  10.417
   85    HE   ARG  19           HE       ARG  19   2.654   9.055   9.055
   86   1HH1  ARG  19          HH21      ARG  19   2.052   9.171   9.171
   87   2HH1  ARG  19          HH22      ARG  19   2.373   7.487   7.487
   88   1HH2  ARG  19          HH11      ARG  19   3.075   6.857   6.857
   89   2HH2  ARG  19          HH12      ARG  19   2.951   6.179   6.179
   90    H    THR  20           HN       THR  20   5.634  12.237  12.237
   91    HA   THR  20           HA       THR  20   7.015  14.605  14.605
   92    HB   THR  20           HB       THR  20   8.066  12.333  12.333
   93    HG1  THR  20           HG1      THR  20   9.632  13.753  13.753
   94   1HG2  THR  20          HG21      THR  20   7.871  12.682  12.682
   95   2HG2  THR  20          HG23      THR  20   9.082  11.625  11.625
   96   3HG2  THR  20          HG22      THR  20   7.366  11.305  11.305
   97    H    GLU  21           HN       GLU  21   8.202  16.075  16.075
   98    HA   GLU  21           HA       GLU  21   6.814  16.568  16.568
   99   1HB   GLU  21           HB2      GLU  21   8.419  18.589  18.589
  100   2HB   GLU  21           HB1      GLU  21   7.180  18.545  18.545
  101   1HG   GLU  21           HG2      GLU  21   8.704  18.057  18.057
  102   2HG   GLU  21           HG1      GLU  21   9.826  17.265  17.265
  103    H    THR  22           HN       THR  22   8.027  14.273  14.273
  104    HA   THR  22           HA       THR  22  10.319  15.027  15.027
  105    HB   THR  22           HB       THR  22  10.777  12.425  12.425
  106    HG1  THR  22           HG1      THR  22  10.845  14.622  14.622
  107   1HG2  THR  22          HG22      THR  22  12.237  15.036  15.036
  108   2HG2  THR  22          HG21      THR  22  12.926  13.744  13.744
  109   3HG2  THR  22          HG23      THR  22  12.599  13.471  13.471
  110    H    ASP  23           HN       ASP  23   8.807  11.938  11.938
  111    HA   ASP  23           HA       ASP  23   8.725  10.949  10.949
  112   1HB   ASP  23           HB2      ASP  23   6.880   9.980   9.980
  113   2HB   ASP  23           HB1      ASP  23   7.658   9.051   9.051
  114    H    LEU  24           HN       LEU  24   6.967  10.844  10.844
  115    HA   LEU  24           HA       LEU  24   4.917  12.931  12.931
  116   1HB   LEU  24           HB2      LEU  24   5.960  11.387  11.387
  117   2HB   LEU  24           HB1      LEU  24   4.321  12.032  12.032
  118    HG   LEU  24           HG       LEU  24   6.816  13.636  13.636
  119   1HD1  LEU  24          HD11      LEU  24   6.112  12.728  12.728
  120   2HD1  LEU  24          HD13      LEU  24   5.112  14.180  14.180
  121   3HD1  LEU  24          HD12      LEU  24   6.862  14.305  14.305
  122   1HD2  LEU  24          HD21      LEU  24   4.016  14.121  14.121
  123   2HD2  LEU  24          HD23      LEU  24   5.393  15.156  15.156
  124   3HD2  LEU  24          HD22      LEU  24   4.613  15.266  15.266
  125    H    SER  25           HN       SER  25   2.909  12.424  12.424
  126    HA   SER  25           HA       SER  25   2.153   9.616   9.616
  127   1HB   SER  25           HB2      SER  25  -0.057  11.368  11.368
  128   2HB   SER  25           HB1      SER  25   0.924  10.515  10.515
  129    HG   SER  25           HG       SER  25   2.374  12.236  12.236
  130    H    PHE  26           HN       PHE  26   0.216   8.673   8.673
  131    HA   PHE  26           HA       PHE  26  -0.941  10.138  10.138
  132   1HB   PHE  26           HB2      PHE  26  -0.544   8.068   8.068
  133   2HB   PHE  26           HB1      PHE  26   0.865   9.078   9.078
  134    HD1  PHE  26           HD1      PHE  26  -0.799   5.891   5.891
  135    HD2  PHE  26           HD2      PHE  26   2.657   8.287   8.287
  136    HE1  PHE  26           HE1      PHE  26   0.346   3.962   3.962
  137    HE2  PHE  26           HE2      PHE  26   3.799   6.355   6.355
  138    HZ   PHE  26           HZ       PHE  26   2.646   4.191   4.191
  139    H    LYS  27           HN       LYS  27  -2.588   8.452   8.452
  140    HA   LYS  27           HA       LYS  27  -4.025   7.086   7.086
  141   1HB   LYS  27           HB2      LYS  27  -4.896   9.231   9.231
  142   2HB   LYS  27           HB1      LYS  27  -5.774   7.809   7.809
  143   1HG   LYS  27           HG2      LYS  27  -6.209   7.332   7.332
  144   2HG   LYS  27           HG1      LYS  27  -5.706   9.001   9.001
  145   1HD   LYS  27           HD2      LYS  27  -8.025   8.015   8.015
  146   2HD   LYS  27           HD1      LYS  27  -8.092   9.048   9.048
  147   1HE   LYS  27           HE2      LYS  27  -8.168  10.738  10.738
  148   2HE   LYS  27           HE1      LYS  27  -6.422  10.498  10.498
  149   1HZ   LYS  27           HZ3      LYS  27  -8.241   8.924   8.924
  150   2HZ   LYS  27           HZ2      LYS  27  -7.715  10.468  10.468
  151   3HZ   LYS  27           HZ1      LYS  27  -6.583   9.230   9.230
  152    H    LYS  28           HN       LYS  28  -5.915   5.700   5.700
  153    HA   LYS  28           HA       LYS  28  -4.308   3.680   3.680
  154   1HB   LYS  28           HB2      LYS  28  -5.881   2.807   2.807
  155   2HB   LYS  28           HB1      LYS  28  -7.193   3.775   3.775
  156   1HG   LYS  28           HG2      LYS  28  -7.618   2.245   2.245
  157   2HG   LYS  28           HG1      LYS  28  -5.909   2.097   2.097
  158   1HD   LYS  28           HD2      LYS  28  -5.550   0.388   0.388
  159   2HD   LYS  28           HD1      LYS  28  -6.904   0.882   0.882
  160   1HE   LYS  28           HE2      LYS  28  -8.103  -0.747  -0.747
  161   2HE   LYS  28           HE1      LYS  28  -8.083   0.259   0.259
  162   1HZ   LYS  28           HZ3      LYS  28  -5.630  -1.123  -1.123
  163   2HZ   LYS  28           HZ2      LYS  28  -6.921  -2.225  -2.225
  164   3HZ   LYS  28           HZ1      LYS  28  -6.750  -1.176  -1.176
  165    H    GLY  29           HN       GLY  29  -4.633   3.080   3.080
  166   1HA   GLY  29           HA2      GLY  29  -5.466   3.258   3.258
  167   2HA   GLY  29           HA1      GLY  29  -6.708   4.359   4.359
  168    H    GLU  30           HN       GLU  30  -3.907   5.535   5.535
  169    HA   GLU  30           HA       GLU  30  -3.747   7.600   7.600
  170   1HB   GLU  30           HB2      GLU  30  -3.808   8.376   8.376
  171   2HB   GLU  30           HB1      GLU  30  -2.429   7.360   7.360
  172   1HG   GLU  30           HG2      GLU  30  -1.041   9.020   9.020
  173   2HG   GLU  30           HG1      GLU  30  -1.682   8.929   8.929
  174    H    ARG  31           HN       ARG  31  -2.309   7.350   7.350
  175    HA   ARG  31           HA       ARG  31  -0.236   5.330   5.330
  176   1HB   ARG  31           HB2      ARG  31  -1.019   7.516   7.516
  177   2HB   ARG  31           HB1      ARG  31   0.505   6.657   6.657
  178   1HG   ARG  31           HG2      ARG  31  -0.537   4.656   4.656
  179   2HG   ARG  31           HG1      ARG  31  -1.948   5.024   5.024
  180   1HD   ARG  31           HD2      ARG  31  -2.299   6.939   6.939
  181   2HD   ARG  31           HD1      ARG  31  -1.334   5.857   5.857
  182    HE   ARG  31           HE       ARG  31  -4.075   5.387   5.387
  183   1HH1  ARG  31          HH21      ARG  31  -1.062   3.998   3.998
  184   2HH1  ARG  31          HH22      ARG  31  -1.774   2.521   2.521
  185   1HH2  ARG  31          HH11      ARG  31  -5.012   3.464   3.464
  186   2HH2  ARG  31          HH12      ARG  31  -4.006   2.218   2.218
  187    H    LEU  32           HN       LEU  32   2.007   5.625   5.625
  188    HA   LEU  32           HA       LEU  32   2.891   8.368   8.368
  189   1HB   LEU  32           HB2      LEU  32   3.235   5.762   5.762
  190   2HB   LEU  32           HB1      LEU  32   4.434   7.041   7.041
  191    HG   LEU  32           HG       LEU  32   1.859   8.244   8.244
  192   1HD1  LEU  32          HD13      LEU  32   2.166   5.602   5.602
  193   2HD1  LEU  32          HD12      LEU  32   1.320   6.906   6.906
  194   3HD1  LEU  32          HD11      LEU  32   0.728   6.322   6.322
  195   1HD2  LEU  32          HD22      LEU  32   4.328   7.878   7.878
  196   2HD2  LEU  32          HD21      LEU  32   3.394   9.342   9.342
  197   3HD2  LEU  32          HD23      LEU  32   2.881   8.214   8.214
  198    H    GLN  33           HN       GLN  33   4.347   8.927   8.927
  199    HA   GLN  33           HA       GLN  33   5.741   7.103   7.103
  200   1HB   GLN  33           HB2      GLN  33   5.406   9.793   9.793
  201   2HB   GLN  33           HB1      GLN  33   7.061   9.696   9.696
  202   1HG   GLN  33           HG2      GLN  33   6.238   8.061   8.061
  203   2HG   GLN  33           HG1      GLN  33   6.643   9.766   9.766
  204   1HE2  GLN  33          HE22      GLN  33  10.116   9.296   9.296
  205   2HE2  GLN  33          HE21      GLN  33   8.865  10.441  10.441
  206    H    ILE  34           HN       ILE  34   6.768   5.496   5.496
  207    HA   ILE  34           HA       ILE  34   8.402   5.958   5.958
  208    HB   ILE  34           HB       ILE  34   8.672   3.786   3.786
  209   1HG1  ILE  34          HG12      ILE  34   6.416   3.896   3.896
  210   2HG1  ILE  34          HG11      ILE  34   7.278   2.466   2.466
  211   1HG2  ILE  34          HG23      ILE  34   9.848   4.224   4.224
  212   2HG2  ILE  34          HG22      ILE  34   9.535   2.582   2.582
  213   3HG2  ILE  34          HG21      ILE  34  10.632   3.627   3.627
  214   1HD1  ILE  34          HD11      ILE  34   7.067   5.091   5.091
  215   2HD1  ILE  34          HD13      ILE  34   6.131   3.639   3.639
  216   3HD1  ILE  34          HD12      ILE  34   7.881   3.634   3.634
  217    H    VAL  35           HN       VAL  35  10.753   5.952   5.952
  218    HA   VAL  35           HA       VAL  35  12.037   7.180   7.180
  219    HB   VAL  35           HB       VAL  35  12.533   7.581   7.581
  220   1HG1  VAL  35          HG11      VAL  35  14.422   7.651   7.651
  221   2HG1  VAL  35          HG13      VAL  35  14.149   9.302   9.302
  222   3HG1  VAL  35          HG12      VAL  35  14.682   8.063   8.063
  223   1HG2  VAL  35          HG22      VAL  35  10.737   8.846   8.846
  224   2HG2  VAL  35          HG21      VAL  35  11.734   9.741   9.741
  225   3HG2  VAL  35          HG23      VAL  35  12.146   9.741   9.741
  226    H    ASN  36           HN       ASN  36  12.586   5.053   5.053
  227    HA   ASN  36           HA       ASN  36  14.436   3.441   3.441
  228   1HB   ASN  36           HB2      ASN  36  15.578   5.303   5.303
  229   2HB   ASN  36           HB1      ASN  36  15.362   4.040   4.040
  230   1HD2  ASN  36          HD22      ASN  36  18.646   3.451   3.451
  231   2HD2  ASN  36          HD21      ASN  36  17.984   4.713   4.713
  232    H    ASN  37           HN       ASN  37  15.311   1.697   1.697
  233    HA   ASN  37           HA       ASN  37  13.278   0.861   0.861
  234   1HB   ASN  37           HB2      ASN  37  12.430  -1.125  -1.125
  235   2HB   ASN  37           HB1      ASN  37  11.996   0.372   0.372
  236   1HD2  ASN  37          HD22      ASN  37  13.448  -0.857  -0.857
  237   2HD2  ASN  37          HD21      ASN  37  12.135  -0.083  -0.083
  238    H    THR  38           HN       THR  38  16.077   1.106   1.106
  239    HA   THR  38           HA       THR  38  16.919  -1.759  -1.759
  240    HB   THR  38           HB       THR  38  18.279  -0.725  -0.725
  241    HG1  THR  38           HG1      THR  38  19.849  -1.660  -1.660
  242   1HG2  THR  38          HG21      THR  38  18.065   1.595   1.595
  243   2HG2  THR  38          HG23      THR  38  19.627   1.401   1.401
  244   3HG2  THR  38          HG22      THR  38  18.157   1.550   1.550
  245    H    GLU  39           HN       GLU  39  16.247   1.115   1.115
  246    HA   GLU  39           HA       GLU  39  18.139   1.002   1.002
  247   1HB   GLU  39           HB2      GLU  39  15.786   2.490   2.490
  248   2HB   GLU  39           HB1      GLU  39  15.611   1.874   1.874
  249   1HG   GLU  39           HG2      GLU  39  18.309   2.847   2.847
  250   2HG   GLU  39           HG1      GLU  39  17.116   4.104   4.104
  251    H    GLY  40           HN       GLY  40  14.836  -0.326  -0.326
  252   1HA   GLY  40           HA2      GLY  40  15.018  -2.819  -2.819
  253   2HA   GLY  40           HA1      GLY  40  15.360  -1.944  -1.944
  254    H    ASP  41           HN       ASP  41  13.614  -1.356  -1.356
  255    HA   ASP  41           HA       ASP  41  10.922  -1.731  -1.731
  256   1HB   ASP  41           HB2      ASP  41  11.683  -1.197  -1.197
  257   2HB   ASP  41           HB1      ASP  41  10.108  -1.723  -1.723
  258    H    TRP  42           HN       TRP  42  12.560   0.625   0.625
  259    HA   TRP  42           HA       TRP  42  10.531   2.653   2.653
  260   1HB   TRP  42           HB2      TRP  42  13.264   2.749   2.749
  261   2HB   TRP  42           HB1      TRP  42  12.394   4.238   4.238
  262    HD1  TRP  42           HD1      TRP  42  12.640   1.602   1.602
  263    HE1  TRP  42           HE1      TRP  42  10.698   1.931   1.931
  264    HE3  TRP  42           HE3      TRP  42   9.960   4.776   4.776
  265    HZ2  TRP  42           HZ2      TRP  42   8.162   3.429   3.429
  266    HZ3  TRP  42           HZ3      TRP  42   7.797   5.663   5.663
  267    HH2  TRP  42           HH2      TRP  42   6.897   4.985   4.985
  268    H    TRP  43           HN       TRP  43  10.304   3.074   3.074
  269    HA   TRP  43           HA       TRP  43  12.777   3.794   3.794
  270   1HB   TRP  43           HB2      TRP  43  10.049   3.252   3.252
  271   2HB   TRP  43           HB1      TRP  43  11.609   3.246   3.246
  272    HD1  TRP  43           HD1      TRP  43  13.235   1.427   1.427
  273    HE1  TRP  43           HE1      TRP  43  12.614  -1.022  -1.022
  274    HE3  TRP  43           HE3      TRP  43   8.735   1.708   1.708
  275    HZ2  TRP  43           HZ2      TRP  43  10.333  -2.740  -2.740
  276    HZ3  TRP  43           HZ3      TRP  43   7.306  -0.267  -0.267
  277    HH2  TRP  43           HH2      TRP  43   8.107  -2.492  -2.492
  278    H    LEU  44           HN       LEU  44  12.424   5.632   5.632
  279    HA   LEU  44           HA       LEU  44  10.908   7.783   7.783
  280   1HB   LEU  44           HB2      LEU  44  13.403   7.939   7.939
  281   2HB   LEU  44           HB1      LEU  44  12.725   8.192   8.192
  282    HG   LEU  44           HG       LEU  44  11.333  10.055  10.055
  283   1HD1  LEU  44          HD13      LEU  44  11.852   8.976   8.976
  284   2HD1  LEU  44          HD12      LEU  44  13.140  10.178  10.178
  285   3HD1  LEU  44          HD11      LEU  44  11.457  10.680  10.680
  286   1HD2  LEU  44          HD23      LEU  44  14.094   9.986   9.986
  287   2HD2  LEU  44          HD22      LEU  44  13.004  11.370  11.370
  288   3HD2  LEU  44          HD21      LEU  44  13.920  11.073  11.073
  289    H    ALA  45           HN       ALA  45   9.011   8.505   8.505
  290    HA   ALA  45           HA       ALA  45   8.401   7.693   7.693
  291   1HB   ALA  45           HB1      ALA  45   6.657   7.925   7.925
  292   2HB   ALA  45           HB3      ALA  45   5.962   7.992   7.992
  293   3HB   ALA  45           HB2      ALA  45   6.841   6.555   6.555
  294    H    HIS  46           HN       HIS  46   6.924   9.191   9.191
  295    HA   HIS  46           HA       HIS  46   7.068  12.011  12.011
  296   1HB   HIS  46           HB2      HIS  46   8.935  11.455  11.455
  297   2HB   HIS  46           HB1      HIS  46   7.681  11.171  11.171
  298    HD1  HIS  46           HD1      HIS  46   9.225  13.919  13.919
  299    HD2  HIS  46           HD2      HIS  46   6.358  13.471  13.471
  300    HE1  HIS  46           HE1      HIS  46   8.773  16.167  16.167
  301    H    SER  47           HN       SER  47   4.968  12.700  12.700
  302    HA   SER  47           HA       SER  47   2.939  11.348  11.348
  303   1HB   SER  47           HB2      SER  47   2.809  13.526  13.526
  304   2HB   SER  47           HB1      SER  47   1.393  13.001  13.001
  305    HG   SER  47           HG       SER  47   1.937  10.837  10.837
  306    H    LEU  48           HN       LEU  48   4.821  12.691  12.691
  307    HA   LEU  48           HA       LEU  48   5.137  14.718  14.718
  308   1HB   LEU  48           HB2      LEU  48   2.872  12.990  12.990
  309   2HB   LEU  48           HB1      LEU  48   3.456  14.361  14.361
  310    HG   LEU  48           HG       LEU  48   5.185  12.088  12.088
  311   1HD1  LEU  48          HD13      LEU  48   3.606  12.497  12.497
  312   2HD1  LEU  48          HD12      LEU  48   5.279  12.004  12.004
  313   3HD1  LEU  48          HD11      LEU  48   4.209  11.002  11.002
  314   1HD2  LEU  48          HD22      LEU  48   5.701  14.647  14.647
  315   2HD2  LEU  48          HD21      LEU  48   6.661  13.875  13.875
  316   3HD2  LEU  48          HD23      LEU  48   6.689  13.237  13.237
  317    H    THR  49           HN       THR  49   4.042  15.940  15.940
  318    HA   THR  49           HA       THR  49   1.708  17.442  17.442
  319    HB   THR  49           HB       THR  49   2.503  16.930  16.930
  320    HG1  THR  49           HG1      THR  49   0.995  15.482  15.482
  321   1HG2  THR  49          HG22      THR  49   1.219  19.196  19.196
  322   2HG2  THR  49          HG21      THR  49  -0.066  18.204  18.204
  323   3HG2  THR  49          HG23      THR  49   1.290  18.717  18.717
  324    H    THR  50           HN       THR  50   3.376  18.641  18.641
  325    HA   THR  50           HA       THR  50   4.249  20.979  20.979
  326    HB   THR  50           HB       THR  50   5.026  21.533  21.533
  327    HG1  THR  50           HG1      THR  50   4.041  20.299  20.299
  328   1HG2  THR  50          HG22      THR  50   2.660  22.022  22.022
  329   2HG2  THR  50          HG21      THR  50   2.351  22.204  22.204
  330   3HG2  THR  50          HG23      THR  50   3.618  23.154  23.154
  331    H    GLY  51           HN       GLY  51   5.576  18.231  18.231
  332   1HA   GLY  51           HA2      GLY  51   7.800  17.527  17.527
  333   2HA   GLY  51           HA1      GLY  51   8.305  19.198  19.198
  334    H    GLN  52           HN       GLN  52   6.362  17.323  17.323
  335    HA   GLN  52           HA       GLN  52   8.573  17.624  17.624
  336   1HB   GLN  52           HB2      GLN  52   5.611  17.643  17.643
  337   2HB   GLN  52           HB1      GLN  52   6.442  16.833  16.833
  338   1HG   GLN  52           HG2      GLN  52   7.894  18.885  18.885
  339   2HG   GLN  52           HG1      GLN  52   6.854  19.682  19.682
  340   1HE2  GLN  52          HE22      GLN  52   5.703  19.698  19.698
  341   2HE2  GLN  52          HE21      GLN  52   7.295  19.433  19.433
  342    H    THR  53           HN       THR  53   9.668  15.819  15.819
  343    HA   THR  53           HA       THR  53   8.561  13.184  13.184
  344    HB   THR  53           HB       THR  53  11.169  14.355  14.355
  345    HG1  THR  53           HG1      THR  53  10.365  11.697  11.697
  346   1HG2  THR  53          HG22      THR  53  11.310  13.343  13.343
  347   2HG2  THR  53          HG21      THR  53  11.142  11.768  11.768
  348   3HG2  THR  53          HG23      THR  53  12.531  12.788  12.788
  349    H    GLY  54           HN       GLY  54   9.255  11.366  11.366
  350   1HA   GLY  54           HA2      GLY  54   9.405  12.095  12.095
  351   2HA   GLY  54           HA1      GLY  54   7.733  11.747  11.747
  352    H    TYR  55           HN       TYR  55  10.372  10.337  10.337
  353    HA   TYR  55           HA       TYR  55  10.623   7.836   7.836
  354   1HB   TYR  55           HB2      TYR  55  10.960   8.555   8.555
  355   2HB   TYR  55           HB1      TYR  55  11.472   7.031   7.031
  356    HD1  TYR  55           HD2      TYR  55  13.113   7.168   7.168
  357    HD2  TYR  55           HD1      TYR  55  12.388  10.435  10.435
  358    HE1  TYR  55           HE2      TYR  55  15.208   8.213   8.213
  359    HE2  TYR  55           HE1      TYR  55  14.481  11.483  11.483
  360    HH   TYR  55           HH       TYR  55  16.175  10.511  10.511
  361    H    ILE  56           HN       ILE  56   8.637   6.902   6.902
  362    HA   ILE  56           HA       ILE  56   6.558   6.589   6.589
  363    HB   ILE  56           HB       ILE  56   5.266   5.521   5.521
  364   1HG1  ILE  56          HG12      ILE  56   7.285   6.157   6.157
  365   2HG1  ILE  56          HG11      ILE  56   7.711   4.807   4.807
  366   1HG2  ILE  56          HG21      ILE  56   5.305   7.993   7.993
  367   2HG2  ILE  56          HG23      ILE  56   6.696   8.053   8.053
  368   3HG2  ILE  56          HG22      ILE  56   5.137   7.490   7.490
  369   1HD1  ILE  56          HD12      ILE  56   5.012   4.391   4.391
  370   2HD1  ILE  56          HD11      ILE  56   5.693   4.944   4.944
  371   3HD1  ILE  56          HD13      ILE  56   6.371   3.530   3.530
  372    HA   PRO  57           HA       PRO  57   7.955   2.655   2.655
  373   1HB   PRO  57           HB2      PRO  57   5.315   1.723   1.723
  374   2HB   PRO  57           HB1      PRO  57   6.483   2.422   2.422
  375   1HG   PRO  57           HG2      PRO  57   4.055   3.628   3.628
  376   2HG   PRO  57           HG1      PRO  57   5.184   4.295   4.295
  377   1HD   PRO  57           HD1      PRO  57   4.835   5.093   5.093
  378   2HD   PRO  57           HD2      PRO  57   5.986   5.746   5.746
  379    H    SER  58           HN       SER  58   7.910   0.412   0.412
  380    HA   SER  58           HA       SER  58   6.956   0.086   0.086
  381   1HB   SER  58           HB2      SER  58   8.120  -2.085  -2.085
  382   2HB   SER  58           HB1      SER  58   9.165  -0.768  -0.768
  383    HG   SER  58           HG       SER  58   8.027  -1.442  -1.442
  384    H    ASN  59           HN       ASN  59   6.215  -1.302  -1.302
  385    HA   ASN  59           HA       ASN  59   4.351  -3.257  -3.257
  386   1HB   ASN  59           HB2      ASN  59   3.610  -3.356  -3.356
  387   2HB   ASN  59           HB1      ASN  59   5.367  -3.337  -3.337
  388   1HD2  ASN  59          HD22      ASN  59   5.171  -0.722  -0.722
  389   2HD2  ASN  59          HD21      ASN  59   5.606  -2.339  -2.339
  390    H    TYR  60           HN       TYR  60   4.157   0.119   0.119
  391    HA   TYR  60           HA       TYR  60   1.196   0.113   0.113
  392   1HB   TYR  60           HB2      TYR  60   3.318   2.241   2.241
  393   2HB   TYR  60           HB1      TYR  60   1.656   2.679   2.679
  394    HD1  TYR  60           HD1      TYR  60   1.716  -0.187  -0.187
  395    HD2  TYR  60           HD2      TYR  60   2.072   4.047   4.047
  396    HE1  TYR  60           HE1      TYR  60   1.138  -0.214  -0.214
  397    HE2  TYR  60           HE2      TYR  60   1.495   4.021   4.021
  398    HH   TYR  60           HH       TYR  60   0.186   1.327   1.327
  399    H    VAL  61           HN       VAL  61   3.617  -0.012  -0.012
  400    HA   VAL  61           HA       VAL  61   1.559   0.654   0.654
  401    HB   VAL  61           HB       VAL  61   2.965   2.535   2.535
  402   1HG1  VAL  61          HG11      VAL  61   4.945   0.649   0.649
  403   2HG1  VAL  61          HG13      VAL  61   5.607   1.708   1.708
  404   3HG1  VAL  61          HG12      VAL  61   4.859   2.399   2.399
  405   1HG2  VAL  61          HG21      VAL  61   2.726   1.455   1.455
  406   2HG2  VAL  61          HG23      VAL  61   4.281   2.272   2.272
  407   3HG2  VAL  61          HG22      VAL  61   4.191   0.518   0.518
  408    H    ALA  62           HN       ALA  62   2.185  -0.311  -0.311
  409    HA   ALA  62           HA       ALA  62   4.051  -2.552  -2.552
  410   1HB   ALA  62           HB2      ALA  62   1.594  -3.131  -3.131
  411   2HB   ALA  62           HB1      ALA  62   1.341  -3.538  -3.538
  412   3HB   ALA  62           HB3      ALA  62   2.640  -4.311  -4.311
  413    HA   PRO  63           HA       PRO  63   4.019  -1.557  -1.557
  414   1HB   PRO  63           HB2      PRO  63   4.564  -4.260  -4.260
  415   2HB   PRO  63           HB1      PRO  63   5.703  -2.916  -2.916
  416   1HG   PRO  63           HG2      PRO  63   5.463  -5.217  -5.217
  417   2HG   PRO  63           HG1      PRO  63   6.610  -3.879  -3.879
  418   1HD   PRO  63           HD1      PRO  63   4.324  -4.417  -4.417
  419   2HD   PRO  63           HD2      PRO  63   5.469  -3.067  -3.067
  420    H    SER  64           HN       SER  64   2.643  -1.805  -1.805
  421    HA   SER  64           HA       SER  64   0.150  -3.318  -3.318
  422   1HB   SER  64           HB2      SER  64  -0.635  -2.000  -2.000
  423   2HB   SER  64           HB1      SER  64  -0.334  -1.080  -1.080
  424    HG   SER  64           HG       SER  64   1.062  -1.134  -1.134
  425   1H    ARG  71           HT1      ARG  71  14.027   1.552   1.552
  426   2H    ARG  71           HT3      ARG  71  15.006   1.754   1.754
  427   3H    ARG  71           HT2      ARG  71  14.951   2.965   2.965
  428    HA   ARG  71           HA       ARG  71  13.174   3.919   3.919
  429   1HB   ARG  71           HB2      ARG  71  14.394   3.435   3.435
  430   2HB   ARG  71           HB1      ARG  71  13.674   1.827   1.827
  431   1HG   ARG  71           HG2      ARG  71  12.198   2.927   2.927
  432   2HG   ARG  71           HG1      ARG  71  11.417   3.273   3.273
  433   1HD   ARG  71           HD2      ARG  71  12.778   5.398   5.398
  434   2HD   ARG  71           HD1      ARG  71  13.314   5.071   5.071
  435    HE   ARG  71           HE       ARG  71  10.410   5.044   5.044
  436   1HH1  ARG  71          HH21      ARG  71  13.262   6.936   6.936
  437   2HH1  ARG  71          HH22      ARG  71  12.430   8.221   8.221
  438   1HH2  ARG  71          HH11      ARG  71   9.316   6.713   6.713
  439   2HH2  ARG  71          HH12      ARG  71  10.199   8.095   8.095
  440    H    ALA  72           HN       ALA  72  12.654   0.457   0.457
  441    HA   ALA  72           HA       ALA  72  10.855  -0.946  -0.946
  442   1HB   ALA  72           HB1      ALA  72  10.897   1.064   1.064
  443   2HB   ALA  72           HB3      ALA  72   9.222   0.723   0.723
  444   3HB   ALA  72           HB2      ALA  72  10.281  -0.586  -0.586
  445    H    LEU  73           HN       LEU  73   9.211  -1.307  -1.307
  446    HA   LEU  73           HA       LEU  73   8.154   0.823   0.823
  447   1HB   LEU  73           HB2      LEU  73   7.175  -2.026  -2.026
  448   2HB   LEU  73           HB1      LEU  73   6.681  -0.936  -0.936
  449    HG   LEU  73           HG       LEU  73   9.572  -1.685  -1.685
  450   1HD1  LEU  73          HD12      LEU  73   7.651  -3.471  -3.471
  451   2HD1  LEU  73          HD11      LEU  73   8.196  -2.822  -2.822
  452   3HD1  LEU  73          HD13      LEU  73   9.353  -3.573  -3.573
  453   1HD2  LEU  73          HD22      LEU  73   8.696   0.412   0.412
  454   2HD2  LEU  73          HD21      LEU  73  10.035  -0.560  -0.560
  455   3HD2  LEU  73          HD23      LEU  73   8.411  -0.802  -0.802
  456    HA   PRO  74           HA       PRO  74   4.740   2.223   2.223
  457   1HB   PRO  74           HB2      PRO  74   2.887   2.304   2.304
  458   2HB   PRO  74           HB1      PRO  74   3.879   3.631   3.631
  459   1HG   PRO  74           HG2      PRO  74   4.173   2.161   2.161
  460   2HG   PRO  74           HG1      PRO  74   5.109   3.549   3.549
  461   1HD   PRO  74           HD1      PRO  74   5.945   0.793   0.793
  462   2HD   PRO  74           HD2      PRO  74   6.877   2.183   2.183
  463    HA   PRO  75           HA       PRO  75   2.261  -1.223  -1.223
  464   1HB   PRO  75           HB2      PRO  75  -0.059   0.358   0.358
  465   2HB   PRO  75           HB1      PRO  75   1.132  -0.310  -0.310
  466   1HG   PRO  75           HG2      PRO  75   0.784   2.450   2.450
  467   2HG   PRO  75           HG1      PRO  75   1.985   1.780   1.780
  468   1HD   PRO  75           HD1      PRO  75   2.406   2.782   2.782
  469   2HD   PRO  75           HD2      PRO  75   3.615   2.136   2.136
  470    H    LEU  76           HN       LEU  76   1.544  -2.463  -2.463
  471    HA   LEU  76           HA       LEU  76   0.132  -1.480  -1.480
  472   1HB   LEU  76           HB2      LEU  76   0.271  -4.272  -4.272
  473   2HB   LEU  76           HB1      LEU  76  -0.421  -3.897  -3.897
  474    HG   LEU  76           HG       LEU  76   2.390  -3.079  -3.079
  475   1HD1  LEU  76          HD13      LEU  76   1.860  -5.635  -5.635
  476   2HD1  LEU  76          HD12      LEU  76   1.742  -5.493  -5.493
  477   3HD1  LEU  76          HD11      LEU  76   3.250  -5.087  -5.087
  478   1HD2  LEU  76          HD23      LEU  76   0.999  -2.098  -2.098
  479   2HD2  LEU  76          HD22      LEU  76   2.655  -2.622  -2.622
  480   3HD2  LEU  76          HD21      LEU  76   1.305  -3.658  -3.658
  481    HA   PRO  77           HA       PRO  77  -4.007  -0.981  -0.981
  482   1HB   PRO  77           HB2      PRO  77  -5.141  -2.365  -2.365
  483   2HB   PRO  77           HB1      PRO  77  -4.998  -0.620  -0.620
  484   1HG   PRO  77           HG2      PRO  77  -3.487  -2.270  -2.270
  485   2HG   PRO  77           HG1      PRO  77  -3.331  -0.528  -0.528
  486   1HD   PRO  77           HD1      PRO  77  -1.515  -2.617  -2.617
  487   2HD   PRO  77           HD2      PRO  77  -1.352  -0.868  -0.868
  488    H    ARG  78           HN       ARG  78  -6.202  -2.534  -2.534
  489    HA   ARG  78           HA       ARG  78  -5.338  -5.112  -5.112
  490   1HB   ARG  78           HB2      ARG  78  -6.882  -3.179  -3.179
  491   2HB   ARG  78           HB1      ARG  78  -8.126  -4.177  -4.177
  492   1HG   ARG  78           HG2      ARG  78  -7.011  -6.187  -6.187
  493   2HG   ARG  78           HG1      ARG  78  -6.022  -5.049  -5.049
  494   1HD   ARG  78           HD2      ARG  78  -7.920  -4.140  -4.140
  495   2HD   ARG  78           HD1      ARG  78  -9.041  -4.890  -4.890
  496    HE   ARG  78           HE       ARG  78  -8.924  -6.858  -6.858
  497   1HH1  ARG  78          HH21      ARG  78  -6.245  -4.766  -4.766
  498   2HH1  ARG  78          HH22      ARG  78  -5.615  -5.741  -5.741
  499   1HH2  ARG  78          HH11      ARG  78  -8.110  -8.136  -8.136
  500   2HH2  ARG  78          HH12      ARG  78  -6.669  -7.645  -7.645
  501    H    TYR  79           HN       TYR  79  -6.118  -7.019  -7.019
  502    HA   TYR  79           HA       TYR  79  -8.304  -6.905  -6.905
  503   1HB   TYR  79           HB2      TYR  79  -5.452  -7.585  -7.585
  504   2HB   TYR  79           HB1      TYR  79  -6.679  -8.588  -8.588
  505    HD1  TYR  79           HD2      TYR  79  -5.462  -5.104  -5.104
  506    HD2  TYR  79           HD1      TYR  79  -8.043  -7.711  -7.711
  507    HE1  TYR  79           HE2      TYR  79  -5.862  -3.341  -3.341
  508    HE2  TYR  79           HE1      TYR  79  -8.443  -5.948  -5.948
  509    HH   TYR  79           HH       TYR  79  -6.657  -3.523  -3.523

  Start of MODEL   14
    1   1H    THR   9           HT1      THR   9   6.532   2.849   2.849
    2   2H    THR   9           HT3      THR   9   6.338   3.633   3.633
    3   3H    THR   9           HT2      THR   9   7.080   4.444   4.444
    4    HA   THR   9           HA       THR   9   5.153   5.158   5.158
    5    HB   THR   9           HB       THR   9   3.889   3.715   3.715
    6    HG1  THR   9           HG1      THR   9   4.733   6.367   6.367
    7   1HG2  THR   9          HG22      THR   9   2.525   4.910   4.910
    8   2HG2  THR   9          HG21      THR   9   3.133   6.397   6.397
    9   3HG2  THR   9          HG23      THR   9   2.152   5.283   5.283
   10    H    PHE  10           HN       PHE  10   5.161   3.810   3.810
   11    HA   PHE  10           HA       PHE  10   3.846   1.200   1.200
   12   1HB   PHE  10           HB2      PHE  10   5.200   2.892   2.892
   13   2HB   PHE  10           HB1      PHE  10   3.990   1.757   1.757
   14    HD1  PHE  10           HD1      PHE  10   6.279   1.422   1.422
   15    HD2  PHE  10           HD2      PHE  10   5.265  -0.008  -0.008
   16    HE1  PHE  10           HE1      PHE  10   7.876  -0.426  -0.426
   17    HE2  PHE  10           HE2      PHE  10   6.862  -1.853  -1.853
   18    HZ   PHE  10           HZ       PHE  10   8.170  -2.065  -2.065
   19    H    VAL  11           HN       VAL  11   2.209   1.178   1.178
   20    HA   VAL  11           HA       VAL  11   0.237   3.366   3.366
   21    HB   VAL  11           HB       VAL  11  -0.326   0.420   0.420
   22   1HG1  VAL  11          HG13      VAL  11  -2.118   2.695   2.695
   23   2HG1  VAL  11          HG12      VAL  11  -2.731   1.480   1.480
   24   3HG1  VAL  11          HG11      VAL  11  -2.191   1.002   1.002
   25   1HG2  VAL  11          HG22      VAL  11   0.471   1.992   1.992
   26   2HG2  VAL  11          HG21      VAL  11  -0.994   1.053   1.053
   27   3HG2  VAL  11          HG23      VAL  11  -1.110   2.758   2.758
   28    H    ALA  12           HN       ALA  12  -0.166   4.087   4.087
   29    HA   ALA  12           HA       ALA  12   0.528   2.743   2.743
   30   1HB   ALA  12           HB2      ALA  12  -1.619   4.845   4.845
   31   2HB   ALA  12           HB1      ALA  12  -0.908   4.402   4.402
   32   3HB   ALA  12           HB3      ALA  12   0.086   5.166   5.166
   33    H    LEU  13           HN       LEU  13  -1.010   1.969   1.969
   34    HA   LEU  13           HA       LEU  13  -3.533   0.806   0.806
   35   1HB   LEU  13           HB2      LEU  13  -1.401  -0.796  -0.796
   36   2HB   LEU  13           HB1      LEU  13  -2.988  -1.392  -1.392
   37    HG   LEU  13           HG       LEU  13  -1.086  -0.217  -0.217
   38   1HD1  LEU  13          HD12      LEU  13  -1.028  -2.875  -2.875
   39   2HD1  LEU  13          HD11      LEU  13  -0.791  -2.860  -2.860
   40   3HD1  LEU  13          HD13      LEU  13   0.294  -1.943  -1.943
   41   1HD2  LEU  13          HD22      LEU  13  -3.557  -1.942  -1.942
   42   2HD2  LEU  13          HD21      LEU  13  -3.240  -0.460  -0.460
   43   3HD2  LEU  13          HD23      LEU  13  -2.445  -1.963  -1.963
   44    H    TYR  14           HN       TYR  14  -1.403   1.017   1.017
   45    HA   TYR  14           HA       TYR  14  -3.834   1.264   1.264
   46   1HB   TYR  14           HB2      TYR  14  -1.026   1.052   1.052
   47   2HB   TYR  14           HB1      TYR  14  -2.538   0.525   0.525
   48    HD1  TYR  14           HD2      TYR  14  -3.496  -0.712  -0.712
   49    HD2  TYR  14           HD1      TYR  14  -0.035  -1.211  -1.211
   50    HE1  TYR  14           HE2      TYR  14  -3.126  -2.914  -2.914
   51    HE2  TYR  14           HE1      TYR  14   0.315  -3.436  -3.436
   52    HH   TYR  14           HH       TYR  14  -1.500  -5.234  -5.234
   53    H    ASP  15           HN       ASP  15  -4.416   3.265   3.265
   54    HA   ASP  15           HA       ASP  15  -3.244   5.661   5.661
   55   1HB   ASP  15           HB2      ASP  15  -4.289   6.471   6.471
   56   2HB   ASP  15           HB1      ASP  15  -5.326   5.962   5.962
   57    H    TYR  16           HN       TYR  16  -1.146   6.234   6.234
   58    HA   TYR  16           HA       TYR  16   0.302   5.341   5.341
   59   1HB   TYR  16           HB2      TYR  16   1.465   5.291   5.291
   60   2HB   TYR  16           HB1      TYR  16   1.193   7.021   7.021
   61    HD1  TYR  16           HD1      TYR  16   2.003   5.408   5.408
   62    HD2  TYR  16           HD2      TYR  16   3.519   7.707   7.707
   63    HE1  TYR  16           HE1      TYR  16   4.038   5.878   5.878
   64    HE2  TYR  16           HE2      TYR  16   5.552   8.179   8.179
   65    HH   TYR  16           HH       TYR  16   5.860   7.979   7.979
   66    H    GLU  17           HN       GLU  17  -0.069   6.526   6.526
   67    HA   GLU  17           HA       GLU  17  -0.534   9.451   9.451
   68   1HB   GLU  17           HB2      GLU  17  -1.723   7.498   7.498
   69   2HB   GLU  17           HB1      GLU  17  -0.653   8.359   8.359
   70   1HG   GLU  17           HG2      GLU  17  -1.667  10.500  10.500
   71   2HG   GLU  17           HG1      GLU  17  -2.979   9.403   9.403
   72    H    SER  18           HN       SER  18   1.964   9.270   9.270
   73    HA   SER  18           HA       SER  18   3.953   8.775   8.775
   74   1HB   SER  18           HB2      SER  18   5.390   9.938   9.938
   75   2HB   SER  18           HB1      SER  18   4.058   9.628   9.628
   76    HG   SER  18           HG       SER  18   3.268  11.680  11.680
   77    H    ARG  19           HN       ARG  19   5.345  10.897  10.897
   78    HA   ARG  19           HA       ARG  19   3.408  12.458  12.458
   79   1HB   ARG  19           HB2      ARG  19   5.877  11.047  11.047
   80   2HB   ARG  19           HB1      ARG  19   5.952  12.736  12.736
   81   1HG   ARG  19           HG2      ARG  19   3.361  11.798  11.798
   82   2HG   ARG  19           HG1      ARG  19   4.502  10.563  10.563
   83   1HD   ARG  19           HD2      ARG  19   5.865  12.533  12.533
   84   2HD   ARG  19           HD1      ARG  19   4.391  13.479  13.479
   85    HE   ARG  19           HE       ARG  19   4.827  11.403  11.403
   86   1HH1  ARG  19          HH21      ARG  19   2.552  13.125  13.125
   87   2HH1  ARG  19          HH22      ARG  19   1.225  12.845  12.845
   88   1HH2  ARG  19          HH11      ARG  19   3.103  11.036  11.036
   89   2HH2  ARG  19          HH12      ARG  19   1.535  11.664  11.664
   90    H    THR  20           HN       THR  20   4.777  12.930  12.930
   91    HA   THR  20           HA       THR  20   5.305  14.926  14.926
   92    HB   THR  20           HB       THR  20   5.466  16.409  16.409
   93    HG1  THR  20           HG1      THR  20   3.098  15.665  15.665
   94   1HG2  THR  20          HG22      THR  20   5.261  17.007  17.007
   95   2HG2  THR  20          HG21      THR  20   3.975  17.792  17.792
   96   3HG2  THR  20          HG23      THR  20   5.662  18.081  18.081
   97    H    GLU  21           HN       GLU  21   7.190  13.085  13.085
   98    HA   GLU  21           HA       GLU  21   9.492  14.853  14.853
   99   1HB   GLU  21           HB2      GLU  21   9.609  11.848  11.848
  100   2HB   GLU  21           HB1      GLU  21  10.512  13.004  13.004
  101   1HG   GLU  21           HG2      GLU  21   8.350  13.652  13.652
  102   2HG   GLU  21           HG1      GLU  21   7.574  12.324  12.324
  103    H    THR  22           HN       THR  22   8.932  15.229  15.229
  104    HA   THR  22           HA       THR  22  10.066  15.219  15.219
  105    HB   THR  22           HB       THR  22  11.793  12.935  12.935
  106    HG1  THR  22           HG1      THR  22  11.649  15.504  15.504
  107   1HG2  THR  22          HG21      THR  22  11.709  14.628  14.628
  108   2HG2  THR  22          HG23      THR  22  13.032  15.259  15.259
  109   3HG2  THR  22          HG22      THR  22  13.046  13.573  13.573
  110    H    ASP  23           HN       ASP  23   8.087  13.000  13.000
  111    HA   ASP  23           HA       ASP  23   8.345  11.098  11.098
  112   1HB   ASP  23           HB2      ASP  23   6.447  10.694  10.694
  113   2HB   ASP  23           HB1      ASP  23   7.267   9.488   9.488
  114    H    LEU  24           HN       LEU  24   6.725  10.977  10.977
  115    HA   LEU  24           HA       LEU  24   4.645  13.073  13.073
  116   1HB   LEU  24           HB2      LEU  24   5.825  11.334  11.334
  117   2HB   LEU  24           HB1      LEU  24   4.168  11.889  11.889
  118    HG   LEU  24           HG       LEU  24   6.482  13.728  13.728
  119   1HD1  LEU  24          HD12      LEU  24   6.109  12.393  12.393
  120   2HD1  LEU  24          HD11      LEU  24   5.268  13.919  13.919
  121   3HD1  LEU  24          HD13      LEU  24   6.970  13.919  13.919
  122   1HD2  LEU  24          HD21      LEU  24   3.672  14.052  14.052
  123   2HD2  LEU  24          HD23      LEU  24   4.896  15.313  15.313
  124   3HD2  LEU  24          HD22      LEU  24   4.224  14.906  14.906
  125    H    SER  25           HN       SER  25   3.005  12.374  12.374
  126    HA   SER  25           HA       SER  25   2.113   9.660   9.660
  127   1HB   SER  25           HB2      SER  25   0.014  11.639  11.639
  128   2HB   SER  25           HB1      SER  25   0.764  10.510  10.510
  129    HG   SER  25           HG       SER  25   1.427  13.137  13.137
  130    H    PHE  26           HN       PHE  26   0.017   8.801   8.801
  131    HA   PHE  26           HA       PHE  26  -1.244  10.219  10.219
  132   1HB   PHE  26           HB2      PHE  26  -0.796   8.318   8.318
  133   2HB   PHE  26           HB1      PHE  26   0.621   9.292   9.292
  134    HD1  PHE  26           HD2      PHE  26  -1.060   6.061   6.061
  135    HD2  PHE  26           HD1      PHE  26   2.435   8.362   8.362
  136    HE1  PHE  26           HE2      PHE  26   0.090   4.043   4.043
  137    HE2  PHE  26           HE1      PHE  26   3.583   6.344   6.344
  138    HZ   PHE  26           HZ       PHE  26   2.411   4.183   4.183
  139    H    LYS  27           HN       LYS  27  -2.775   8.401   8.401
  140    HA   LYS  27           HA       LYS  27  -4.003   6.813   6.813
  141   1HB   LYS  27           HB2      LYS  27  -5.121   9.095   9.095
  142   2HB   LYS  27           HB1      LYS  27  -5.847   7.862   7.862
  143   1HG   LYS  27           HG2      LYS  27  -6.692   6.659   6.659
  144   2HG   LYS  27           HG1      LYS  27  -5.801   7.702   7.702
  145   1HD   LYS  27           HD2      LYS  27  -7.531   9.142   9.142
  146   2HD   LYS  27           HD1      LYS  27  -7.386   9.367   9.367
  147   1HE   LYS  27           HE2      LYS  27  -9.212   8.099   8.099
  148   2HE   LYS  27           HE1      LYS  27  -8.616   6.807   6.807
  149   1HZ   LYS  27           HZ1      LYS  27  -9.826   9.300   9.300
  150   2HZ   LYS  27           HZ3      LYS  27 -10.732   7.898   7.898
  151   3HZ   LYS  27           HZ2      LYS  27  -9.497   7.865   7.865
  152    H    LYS  28           HN       LYS  28  -5.865   5.384   5.384
  153    HA   LYS  28           HA       LYS  28  -4.318   3.659   3.659
  154   1HB   LYS  28           HB2      LYS  28  -5.863   2.682   2.682
  155   2HB   LYS  28           HB1      LYS  28  -7.219   3.505   3.505
  156   1HG   LYS  28           HG2      LYS  28  -6.799   2.267   2.267
  157   2HG   LYS  28           HG1      LYS  28  -5.413   1.468   1.468
  158   1HD   LYS  28           HD2      LYS  28  -7.408   0.015   0.015
  159   2HD   LYS  28           HD1      LYS  28  -6.898   0.460   0.460
  160   1HE   LYS  28           HE2      LYS  28  -8.703   1.890   1.890
  161   2HE   LYS  28           HE1      LYS  28  -8.902   2.191   2.191
  162   1HZ   LYS  28           HZ2      LYS  28  -9.330  -0.520  -0.520
  163   2HZ   LYS  28           HZ1      LYS  28 -10.548   0.645   0.645
  164   3HZ   LYS  28           HZ3      LYS  28 -10.025   0.236   0.236
  165    H    GLY  29           HN       GLY  29  -4.102   4.242   4.242
  166   1HA   GLY  29           HA2      GLY  29  -5.512   4.228   4.228
  167   2HA   GLY  29           HA1      GLY  29  -6.469   5.484   5.484
  168    H    GLU  30           HN       GLU  30  -3.546   6.223   6.223
  169    HA   GLU  30           HA       GLU  30  -3.110   8.228   8.228
  170   1HB   GLU  30           HB2      GLU  30  -3.063   9.023   9.023
  171   2HB   GLU  30           HB1      GLU  30  -1.815   7.845   7.845
  172   1HG   GLU  30           HG2      GLU  30  -0.210   8.926   8.926
  173   2HG   GLU  30           HG1      GLU  30  -1.450   9.949   9.949
  174    H    ARG  31           HN       ARG  31  -1.485   8.068   8.068
  175    HA   ARG  31           HA       ARG  31   0.164   5.657   5.657
  176   1HB   ARG  31           HB2      ARG  31   0.108   8.103   8.103
  177   2HB   ARG  31           HB1      ARG  31   1.095   6.673   6.673
  178   1HG   ARG  31           HG2      ARG  31  -0.687   5.806   5.806
  179   2HG   ARG  31           HG1      ARG  31  -1.466   5.662   5.662
  180   1HD   ARG  31           HD2      ARG  31  -2.700   7.613   7.613
  181   2HD   ARG  31           HD1      ARG  31  -1.537   8.307   8.307
  182    HE   ARG  31           HE       ARG  31  -2.596   6.048   6.048
  183   1HH1  ARG  31          HH21      ARG  31  -3.704   9.023   9.023
  184   2HH1  ARG  31          HH22      ARG  31  -5.036   9.177   9.177
  185   1HH2  ARG  31          HH11      ARG  31  -4.331   6.241   6.241
  186   2HH2  ARG  31          HH12      ARG  31  -5.392   7.605   7.605
  187    H    LEU  32           HN       LEU  32   2.491   5.640   5.640
  188    HA   LEU  32           HA       LEU  32   3.679   8.103   8.103
  189   1HB   LEU  32           HB2      LEU  32   4.069   5.218   5.218
  190   2HB   LEU  32           HB1      LEU  32   5.075   6.550   6.550
  191    HG   LEU  32           HG       LEU  32   2.058   6.470   6.470
  192   1HD1  LEU  32          HD13      LEU  32   3.676   4.768   4.768
  193   2HD1  LEU  32          HD12      LEU  32   3.888   6.181   6.181
  194   3HD1  LEU  32          HD11      LEU  32   2.278   5.509   5.509
  195   1HD2  LEU  32          HD23      LEU  32   4.255   8.346   8.346
  196   2HD2  LEU  32          HD22      LEU  32   2.649   8.712   8.712
  197   3HD2  LEU  32          HD21      LEU  32   2.841   8.197   8.197
  198    H    GLN  33           HN       GLN  33   5.684   8.670   8.670
  199    HA   GLN  33           HA       GLN  33   6.629   7.122   7.122
  200   1HB   GLN  33           HB2      GLN  33   6.522   9.799   9.799
  201   2HB   GLN  33           HB1      GLN  33   8.192   9.460   9.460
  202   1HG   GLN  33           HG2      GLN  33   8.424   8.222   8.222
  203   2HG   GLN  33           HG1      GLN  33   6.847   8.876   8.876
  204   1HE2  GLN  33          HE22      GLN  33   8.721  11.590  11.590
  205   2HE2  GLN  33          HE21      GLN  33   7.805  10.209  10.209
  206    H    ILE  34           HN       ILE  34   7.262   5.266   5.266
  207    HA   ILE  34           HA       ILE  34   9.129   5.256   5.256
  208    HB   ILE  34           HB       ILE  34   9.043   3.361   3.361
  209   1HG1  ILE  34          HG12      ILE  34   6.907   3.467   3.467
  210   2HG1  ILE  34          HG11      ILE  34   7.714   1.963   1.963
  211   1HG2  ILE  34          HG22      ILE  34  11.127   3.438   3.438
  212   2HG2  ILE  34          HG21      ILE  34  10.038   2.685   2.685
  213   3HG2  ILE  34          HG23      ILE  34  10.385   1.881   1.881
  214   1HD1  ILE  34          HD12      ILE  34   8.661   3.804   3.804
  215   2HD1  ILE  34          HD11      ILE  34   6.958   4.226   4.226
  216   3HD1  ILE  34          HD13      ILE  34   7.416   2.589   2.589
  217    H    VAL  35           HN       VAL  35  11.386   5.404   5.404
  218    HA   VAL  35           HA       VAL  35  12.802   6.266   6.266
  219    HB   VAL  35           HB       VAL  35  13.223   7.317   7.317
  220   1HG1  VAL  35          HG13      VAL  35  14.874   7.315   7.315
  221   2HG1  VAL  35          HG12      VAL  35  14.399   8.968   8.968
  222   3HG1  VAL  35          HG11      VAL  35  15.230   7.983   7.983
  223   1HG2  VAL  35          HG22      VAL  35  11.822   8.414   8.414
  224   2HG2  VAL  35          HG21      VAL  35  11.204   8.279   8.279
  225   3HG2  VAL  35          HG23      VAL  35  12.442   9.476   9.476
  226    H    ASN  36           HN       ASN  36  12.933   4.511   4.511
  227    HA   ASN  36           HA       ASN  36  15.266   3.012   3.012
  228   1HB   ASN  36           HB2      ASN  36  15.713   5.061   5.061
  229   2HB   ASN  36           HB1      ASN  36  15.503   3.696   3.696
  230   1HD2  ASN  36          HD22      ASN  36  19.099   3.884   3.884
  231   2HD2  ASN  36          HD21      ASN  36  18.059   5.012   5.012
  232    H    ASN  37           HN       ASN  37  14.772   0.892   0.892
  233    HA   ASN  37           HA       ASN  37  12.906   0.127   0.127
  234   1HB   ASN  37           HB2      ASN  37  12.326  -1.829  -1.829
  235   2HB   ASN  37           HB1      ASN  37  11.976  -0.300  -0.300
  236   1HD2  ASN  37          HD22      ASN  37  15.100  -2.607  -2.607
  237   2HD2  ASN  37          HD21      ASN  37  14.517  -2.840  -2.840
  238    H    THR  38           HN       THR  38  16.093  -0.129  -0.129
  239    HA   THR  38           HA       THR  38  16.593  -2.752  -2.752
  240    HB   THR  38           HB       THR  38  17.763  -2.127  -2.127
  241    HG1  THR  38           HG1      THR  38  18.861  -3.556  -3.556
  242   1HG2  THR  38          HG23      THR  38  17.907   0.355   0.355
  243   2HG2  THR  38          HG22      THR  38  19.453  -0.200  -0.200
  244   3HG2  THR  38          HG21      THR  38  19.139  -0.272  -0.272
  245    H    GLU  39           HN       GLU  39  15.686  -0.440  -0.440
  246    HA   GLU  39           HA       GLU  39  18.109   0.141   0.141
  247   1HB   GLU  39           HB2      GLU  39  15.667   1.550   1.550
  248   2HB   GLU  39           HB1      GLU  39  15.819   1.334   1.334
  249   1HG   GLU  39           HG2      GLU  39  18.185   2.193   2.193
  250   2HG   GLU  39           HG1      GLU  39  17.849   2.582   2.582
  251    H    GLY  40           HN       GLY  40  14.726  -0.758  -0.758
  252   1HA   GLY  40           HA2      GLY  40  15.222  -3.130  -3.130
  253   2HA   GLY  40           HA1      GLY  40  15.386  -1.838  -1.838
  254    H    ASP  41           HN       ASP  41  13.517  -1.725  -1.725
  255    HA   ASP  41           HA       ASP  41  10.950  -2.397  -2.397
  256   1HB   ASP  41           HB2      ASP  41  11.790  -1.771  -1.771
  257   2HB   ASP  41           HB1      ASP  41  10.088  -1.863  -1.863
  258    H    TRP  42           HN       TRP  42  12.743   0.224   0.224
  259    HA   TRP  42           HA       TRP  42  10.377   2.025   2.025
  260   1HB   TRP  42           HB2      TRP  42  12.982   2.502   2.502
  261   2HB   TRP  42           HB1      TRP  42  11.996   3.850   3.850
  262    HD1  TRP  42           HD1      TRP  42  11.920   0.909   0.909
  263    HE1  TRP  42           HE1      TRP  42  10.022   1.421   1.421
  264    HE3  TRP  42           HE3      TRP  42  10.032   4.879   4.879
  265    HZ2  TRP  42           HZ2      TRP  42   7.850   3.394   3.394
  266    HZ3  TRP  42           HZ3      TRP  42   8.076   6.095   6.095
  267    HH2  TRP  42           HH2      TRP  42   6.984   5.349   5.349
  268    H    TRP  43           HN       TRP  43  10.373   3.347   3.347
  269    HA   TRP  43           HA       TRP  43  12.893   3.468   3.468
  270   1HB   TRP  43           HB2      TRP  43  10.094   3.114   3.114
  271   2HB   TRP  43           HB1      TRP  43  11.585   3.199   3.199
  272    HD1  TRP  43           HD1      TRP  43  13.372   1.265   1.265
  273    HE1  TRP  43           HE1      TRP  43  12.803  -1.197  -1.197
  274    HE3  TRP  43           HE3      TRP  43   8.776   1.588   1.588
  275    HZ2  TRP  43           HZ2      TRP  43  10.533  -2.908  -2.908
  276    HZ3  TRP  43           HZ3      TRP  43   7.384  -0.394  -0.394
  277    HH2  TRP  43           HH2      TRP  43   8.262  -2.641  -2.641
  278    H    LEU  44           HN       LEU  44  12.791   5.304   5.304
  279    HA   LEU  44           HA       LEU  44  11.459   7.644   7.644
  280   1HB   LEU  44           HB2      LEU  44  13.932   7.749   7.749
  281   2HB   LEU  44           HB1      LEU  44  13.695   7.575   7.575
  282    HG   LEU  44           HG       LEU  44  12.326   9.767   9.767
  283   1HD1  LEU  44          HD11      LEU  44  15.084   9.774   9.774
  284   2HD1  LEU  44          HD13      LEU  44  14.210  11.236  11.236
  285   3HD1  LEU  44          HD12      LEU  44  14.687  10.075  10.075
  286   1HD2  LEU  44          HD21      LEU  44  12.814   9.055   9.055
  287   2HD2  LEU  44          HD23      LEU  44  11.369   9.724   9.724
  288   3HD2  LEU  44          HD22      LEU  44  12.753  10.765  10.765
  289    H    ALA  45           HN       ALA  45   9.582   8.258   8.258
  290    HA   ALA  45           HA       ALA  45   9.387   7.798   7.798
  291   1HB   ALA  45           HB3      ALA  45   7.835   6.434   6.434
  292   2HB   ALA  45           HB2      ALA  45   7.045   7.957   7.957
  293   3HB   ALA  45           HB1      ALA  45   7.046   7.383   7.383
  294    H    HIS  46           HN       HIS  46   8.528   9.468   9.468
  295    HA   HIS  46           HA       HIS  46   8.374  12.109  12.109
  296   1HB   HIS  46           HB2      HIS  46  10.082  12.123  12.123
  297   2HB   HIS  46           HB1      HIS  46   9.023  11.333  11.333
  298    HD1  HIS  46           HD1      HIS  46   9.107  14.565  14.565
  299    HD2  HIS  46           HD2      HIS  46   7.648  13.070  13.070
  300    HE1  HIS  46           HE1      HIS  46   8.151  16.478  16.478
  301    H    SER  47           HN       SER  47   6.474  13.261  13.261
  302    HA   SER  47           HA       SER  47   4.143  11.913  11.913
  303   1HB   SER  47           HB2      SER  47   4.562  14.152  14.152
  304   2HB   SER  47           HB1      SER  47   3.040  14.086  14.086
  305    HG   SER  47           HG       SER  47   2.775  11.955  11.955
  306    H    LEU  48           HN       LEU  48   3.117  12.629  12.629
  307    HA   LEU  48           HA       LEU  48   4.444  14.788  14.788
  308   1HB   LEU  48           HB2      LEU  48   2.078  13.100  13.100
  309   2HB   LEU  48           HB1      LEU  48   3.174  14.013  14.013
  310    HG   LEU  48           HG       LEU  48   3.826  11.555  11.555
  311   1HD1  LEU  48          HD11      LEU  48   3.551  12.201  12.201
  312   2HD1  LEU  48          HD13      LEU  48   4.665  10.930  10.930
  313   3HD1  LEU  48          HD12      LEU  48   2.950  10.803  10.803
  314   1HD2  LEU  48          HD21      LEU  48   5.522  13.758  13.758
  315   2HD2  LEU  48          HD23      LEU  48   5.901  12.429  12.429
  316   3HD2  LEU  48          HD22      LEU  48   6.047  12.203  12.203
  317    H    THR  49           HN       THR  49   2.537  15.122  15.122
  318    HA   THR  49           HA       THR  49   0.259  16.555  16.555
  319    HB   THR  49           HB       THR  49   0.669  17.267  17.267
  320    HG1  THR  49           HG1      THR  49   0.944  15.270  15.270
  321   1HG2  THR  49          HG21      THR  49  -1.326  16.193  16.193
  322   2HG2  THR  49          HG23      THR  49  -1.221  15.141  15.141
  323   3HG2  THR  49          HG22      THR  49  -1.537  16.863  16.863
  324    H    THR  50           HN       THR  50   2.397  17.894  17.894
  325    HA   THR  50           HA       THR  50   2.393  20.458  20.458
  326    HB   THR  50           HB       THR  50   1.977  20.259  20.259
  327    HG1  THR  50           HG1      THR  50   2.542  22.224  22.224
  328   1HG2  THR  50          HG22      THR  50   3.895  18.599  18.599
  329   2HG2  THR  50          HG21      THR  50   4.985  19.975  19.975
  330   3HG2  THR  50          HG23      THR  50   3.840  19.910  19.910
  331    H    GLY  51           HN       GLY  51   4.658  17.965  17.965
  332   1HA   GLY  51           HA2      GLY  51   6.566  17.543  17.543
  333   2HA   GLY  51           HA1      GLY  51   6.758  19.295  19.295
  334    H    GLN  52           HN       GLN  52   6.602  16.721  16.721
  335    HA   GLN  52           HA       GLN  52   9.051  17.883  17.883
  336   1HB   GLN  52           HB2      GLN  52   6.462  17.349  17.349
  337   2HB   GLN  52           HB1      GLN  52   8.004  17.713  17.713
  338   1HG   GLN  52           HG2      GLN  52   7.784  19.734  19.734
  339   2HG   GLN  52           HG1      GLN  52   6.114  19.517  19.517
  340   1HE2  GLN  52          HE22      GLN  52   8.916  20.734  20.734
  341   2HE2  GLN  52          HE21      GLN  52   9.428  19.903  19.903
  342    H    THR  53           HN       THR  53  10.032  16.348  16.348
  343    HA   THR  53           HA       THR  53   9.579  13.561  13.561
  344    HB   THR  53           HB       THR  53  11.891  15.104  15.104
  345    HG1  THR  53           HG1      THR  53  11.393  12.442  12.442
  346   1HG2  THR  53          HG21      THR  53  11.441  14.142  14.142
  347   2HG2  THR  53          HG23      THR  53  11.798  12.563  12.563
  348   3HG2  THR  53          HG22      THR  53  13.033  13.823  13.823
  349    H    GLY  54           HN       GLY  54   9.493  11.831  11.831
  350   1HA   GLY  54           HA2      GLY  54   8.980  12.545  12.545
  351   2HA   GLY  54           HA1      GLY  54   7.506  12.123  12.123
  352    H    TYR  55           HN       TYR  55   9.649  10.811  10.811
  353    HA   TYR  55           HA       TYR  55  10.288   8.304   8.304
  354   1HB   TYR  55           HB2      TYR  55  10.246   9.193   9.193
  355   2HB   TYR  55           HB1      TYR  55  10.763   7.589   7.589
  356    HD1  TYR  55           HD2      TYR  55  11.505   9.989   9.989
  357    HD2  TYR  55           HD1      TYR  55  12.945   8.475   8.475
  358    HE1  TYR  55           HE2      TYR  55  13.732  10.879  10.879
  359    HE2  TYR  55           HE1      TYR  55  15.173   9.363   9.363
  360    HH   TYR  55           HH       TYR  55  16.219  11.048  11.048
  361    H    ILE  56           HN       ILE  56   8.782   6.771   6.771
  362    HA   ILE  56           HA       ILE  56   6.345   6.634   6.634
  363    HB   ILE  56           HB       ILE  56   5.323   5.455   5.455
  364   1HG1  ILE  56          HG12      ILE  56   7.299   6.551   6.551
  365   2HG1  ILE  56          HG11      ILE  56   7.971   5.289   5.289
  366   1HG2  ILE  56          HG23      ILE  56   5.710   8.168   8.168
  367   2HG2  ILE  56          HG22      ILE  56   6.167   7.986   7.986
  368   3HG2  ILE  56          HG21      ILE  56   4.565   7.484   7.484
  369   1HD1  ILE  56          HD11      ILE  56   5.690   4.062   4.062
  370   2HD1  ILE  56          HD13      ILE  56   5.771   5.119   5.119
  371   3HD1  ILE  56          HD12      ILE  56   7.080   3.984   3.984
  372    HA   PRO  57           HA       PRO  57   7.790   2.730   2.730
  373   1HB   PRO  57           HB2      PRO  57   5.137   1.756   1.756
  374   2HB   PRO  57           HB1      PRO  57   6.252   2.451   2.451
  375   1HG   PRO  57           HG2      PRO  57   3.855   3.645   3.645
  376   2HG   PRO  57           HG1      PRO  57   4.937   4.314   4.314
  377   1HD   PRO  57           HD1      PRO  57   4.671   5.128   5.128
  378   2HD   PRO  57           HD2      PRO  57   5.769   5.789   5.789
  379    H    SER  58           HN       SER  58   7.790   0.486   0.486
  380    HA   SER  58           HA       SER  58   6.847   0.168   0.168
  381   1HB   SER  58           HB2      SER  58   8.669  -1.140  -1.140
  382   2HB   SER  58           HB1      SER  58   9.084  -0.745  -0.745
  383    HG   SER  58           HG       SER  58   8.590  -3.081  -3.081
  384    H    ASN  59           HN       ASN  59   6.146  -1.036  -1.036
  385    HA   ASN  59           HA       ASN  59   4.481  -3.241  -3.241
  386   1HB   ASN  59           HB2      ASN  59   4.780  -1.830  -1.830
  387   2HB   ASN  59           HB1      ASN  59   3.671  -3.179  -3.179
  388   1HD2  ASN  59          HD22      ASN  59   6.566  -5.380  -5.380
  389   2HD2  ASN  59          HD21      ASN  59   5.151  -4.887  -4.887
  390    H    TYR  60           HN       TYR  60   4.052   0.123   0.123
  391    HA   TYR  60           HA       TYR  60   1.100  -0.111  -0.111
  392   1HB   TYR  60           HB2      TYR  60   3.071   2.128   2.128
  393   2HB   TYR  60           HB1      TYR  60   1.437   2.516   2.516
  394    HD1  TYR  60           HD1      TYR  60   1.684  -0.397  -0.397
  395    HD2  TYR  60           HD2      TYR  60   1.293   3.835   3.835
  396    HE1  TYR  60           HE1      TYR  60   0.904  -0.520  -0.520
  397    HE2  TYR  60           HE2      TYR  60   0.510   3.714   3.714
  398    HH   TYR  60           HH       TYR  60   0.073   2.416   2.416
  399    H    VAL  61           HN       VAL  61   3.357  -0.374  -0.374
  400    HA   VAL  61           HA       VAL  61   1.398   0.655   0.655
  401    HB   VAL  61           HB       VAL  61   3.662   1.948   1.948
  402   1HG1  VAL  61          HG12      VAL  61   5.095  -0.063  -0.063
  403   2HG1  VAL  61          HG11      VAL  61   4.533  -0.302  -0.302
  404   3HG1  VAL  61          HG13      VAL  61   5.481   1.126   1.126
  405   1HG2  VAL  61          HG21      VAL  61   1.833   1.873   1.873
  406   2HG2  VAL  61          HG23      VAL  61   3.267   2.896   2.896
  407   3HG2  VAL  61          HG22      VAL  61   3.253   1.345   1.345
  408    H    ALA  62           HN       ALA  62   2.518  -0.302  -0.302
  409    HA   ALA  62           HA       ALA  62   3.548  -2.943  -2.943
  410   1HB   ALA  62           HB1      ALA  62   1.293  -3.338  -3.338
  411   2HB   ALA  62           HB3      ALA  62   0.549  -2.903  -2.903
  412   3HB   ALA  62           HB2      ALA  62   1.602  -4.313  -4.313
  413    HA   PRO  63           HA       PRO  63   3.905  -1.960  -1.960
  414   1HB   PRO  63           HB2      PRO  63   3.838  -4.697  -4.697
  415   2HB   PRO  63           HB1      PRO  63   5.259  -3.677  -3.677
  416   1HG   PRO  63           HG2      PRO  63   4.353  -5.882  -5.882
  417   2HG   PRO  63           HG1      PRO  63   5.783  -4.872  -4.872
  418   1HD   PRO  63           HD1      PRO  63   3.322  -4.854  -4.854
  419   2HD   PRO  63           HD2      PRO  63   4.766  -3.854  -3.854
  420    H    SER  64           HN       SER  64   1.635  -1.126  -1.126
  421    HA   SER  64           HA       SER  64  -0.512  -1.077  -1.077
  422   1HB   SER  64           HB2      SER  64   0.207  -1.578  -1.578
  423   2HB   SER  64           HB1      SER  64   0.976  -3.085  -3.085
  424    HG   SER  64           HG       SER  64  -1.377  -2.794  -2.794
  425   1H    ARG  71           HT1      ARG  71  14.030   1.826   1.826
  426   2H    ARG  71           HT3      ARG  71  14.833   3.109   3.109
  427   3H    ARG  71           HT2      ARG  71  13.976   3.387   3.387
  428    HA   ARG  71           HA       ARG  71  12.318   4.055   4.055
  429   1HB   ARG  71           HB2      ARG  71  14.013   3.916   3.916
  430   2HB   ARG  71           HB1      ARG  71  13.332   2.325   2.325
  431   1HG   ARG  71           HG2      ARG  71  11.741   3.379   3.379
  432   2HG   ARG  71           HG1      ARG  71  11.101   3.986   3.986
  433   1HD   ARG  71           HD2      ARG  71  13.287   5.647   5.647
  434   2HD   ARG  71           HD1      ARG  71  12.488   5.426   5.426
  435    HE   ARG  71           HE       ARG  71  10.529   6.002   6.002
  436   1HH1  ARG  71          HH21      ARG  71  13.086   7.390   7.390
  437   2HH1  ARG  71          HH22      ARG  71  12.412   8.984   8.984
  438   1HH2  ARG  71          HH11      ARG  71   9.640   8.077   8.077
  439   2HH2  ARG  71          HH12      ARG  71  10.464   9.372   9.372
  440    H    ALA  72           HN       ALA  72  11.230   2.601   2.601
  441    HA   ALA  72           HA       ALA  72  10.593  -0.124  -0.124
  442   1HB   ALA  72           HB1      ALA  72  10.134   1.610   1.610
  443   2HB   ALA  72           HB3      ALA  72   8.520   1.253   1.253
  444   3HB   ALA  72           HB2      ALA  72   9.584  -0.062  -0.062
  445    H    LEU  73           HN       LEU  73   9.398  -0.776  -0.776
  446    HA   LEU  73           HA       LEU  73   7.942   0.829   0.829
  447   1HB   LEU  73           HB2      LEU  73   7.698  -2.071  -2.071
  448   2HB   LEU  73           HB1      LEU  73   6.556  -1.361  -1.361
  449    HG   LEU  73           HG       LEU  73   9.541  -1.046  -1.046
  450   1HD1  LEU  73          HD12      LEU  73   7.978  -3.462  -3.462
  451   2HD1  LEU  73          HD11      LEU  73   8.561  -2.962  -2.962
  452   3HD1  LEU  73          HD13      LEU  73   9.705  -3.231  -3.231
  453   1HD2  LEU  73          HD21      LEU  73   7.713   0.354   0.354
  454   2HD2  LEU  73          HD23      LEU  73   8.998  -0.365  -0.365
  455   3HD2  LEU  73          HD22      LEU  73   7.407  -1.125  -1.125
  456    HA   PRO  74           HA       PRO  74   4.323   2.153   2.153
  457   1HB   PRO  74           HB2      PRO  74   2.578   1.761   1.761
  458   2HB   PRO  74           HB1      PRO  74   3.373   3.259   3.259
  459   1HG   PRO  74           HG2      PRO  74   3.973   1.567   1.567
  460   2HG   PRO  74           HG1      PRO  74   4.708   3.115   3.115
  461   1HD   PRO  74           HD1      PRO  74   5.874   0.492   0.492
  462   2HD   PRO  74           HD2      PRO  74   6.595   2.041   2.041
  463    HA   PRO  75           HA       PRO  75   2.315  -1.478  -1.478
  464   1HB   PRO  75           HB2      PRO  75  -0.106  -0.073  -0.073
  465   2HB   PRO  75           HB1      PRO  75   1.198  -0.556  -0.556
  466   1HG   PRO  75           HG2      PRO  75   0.558   2.106   2.106
  467   2HG   PRO  75           HG1      PRO  75   1.848   1.625   1.625
  468   1HD   PRO  75           HD1      PRO  75   2.102   2.488   2.488
  469   2HD   PRO  75           HD2      PRO  75   3.396   1.993   1.993
  470    H    LEU  76           HN       LEU  76   1.433  -2.969  -2.969
  471    HA   LEU  76           HA       LEU  76  -0.199  -2.157  -2.157
  472   1HB   LEU  76           HB2      LEU  76   0.746  -4.802  -4.802
  473   2HB   LEU  76           HB1      LEU  76  -0.432  -4.737  -4.737
  474    HG   LEU  76           HG       LEU  76   2.221  -3.279  -3.279
  475   1HD1  LEU  76          HD13      LEU  76   1.641  -6.094  -6.094
  476   2HD1  LEU  76          HD12      LEU  76   2.204  -5.413  -5.413
  477   3HD1  LEU  76          HD11      LEU  76   3.198  -5.270  -5.270
  478   1HD2  LEU  76          HD21      LEU  76   0.027  -2.788  -2.788
  479   2HD2  LEU  76          HD23      LEU  76   1.653  -2.670  -2.670
  480   3HD2  LEU  76          HD22      LEU  76   0.690  -4.122  -4.122
  481    HA   PRO  77           HA       PRO  77  -4.246  -2.482  -2.482
  482   1HB   PRO  77           HB2      PRO  77  -5.248  -4.295  -4.295
  483   2HB   PRO  77           HB1      PRO  77  -5.456  -2.543  -2.543
  484   1HG   PRO  77           HG2      PRO  77  -3.785  -4.042  -4.042
  485   2HG   PRO  77           HG1      PRO  77  -3.992  -2.289  -2.289
  486   1HD   PRO  77           HD1      PRO  77  -1.698  -3.840  -3.840
  487   2HD   PRO  77           HD2      PRO  77  -1.906  -2.081  -2.081
  488    H    ARG  78           HN       ARG  78  -6.050  -4.426  -4.426
  489    HA   ARG  78           HA       ARG  78  -5.208  -6.126  -6.126
  490   1HB   ARG  78           HB2      ARG  78  -7.454  -6.107  -6.107
  491   2HB   ARG  78           HB1      ARG  78  -7.068  -7.710  -7.710
  492   1HG   ARG  78           HG2      ARG  78  -7.113  -6.749  -6.749
  493   2HG   ARG  78           HG1      ARG  78  -7.659  -5.221  -5.221
  494   1HD   ARG  78           HD2      ARG  78  -9.356  -7.148  -7.148
  495   2HD   ARG  78           HD1      ARG  78  -9.773  -6.007  -6.007
  496    HE   ARG  78           HE       ARG  78  -9.200  -8.864  -8.864
  497   1HH1  ARG  78          HH21      ARG  78  -9.420  -5.713  -5.713
  498   2HH1  ARG  78          HH22      ARG  78  -9.699  -6.316  -6.316
  499   1HH2  ARG  78          HH11      ARG  78  -9.563  -9.648  -9.648
  500   2HH2  ARG  78          HH12      ARG  78  -9.778  -8.535  -8.535
  501    H    TYR  79           HN       TYR  79  -6.127  -7.926  -7.926
  502    HA   TYR  79           HA       TYR  79  -5.105  -9.861  -9.861
  503   1HB   TYR  79           HB2      TYR  79  -3.146  -7.610  -7.610
  504   2HB   TYR  79           HB1      TYR  79  -2.572  -9.229  -9.229
  505    HD1  TYR  79           HD2      TYR  79  -5.578  -7.077  -7.077
  506    HD2  TYR  79           HD1      TYR  79  -2.804  -9.889  -9.889
  507    HE1  TYR  79           HE2      TYR  79  -6.660  -6.913  -6.913
  508    HE2  TYR  79           HE1      TYR  79  -3.885  -9.725  -9.725
  509    HH   TYR  79           HH       TYR  79  -6.892  -8.073  -8.073

  Start of MODEL   15
    1   1H    THR   9           HT2      THR   9   4.839   2.116   2.116
    2   2H    THR   9           HT1      THR   9   4.465   3.062   3.062
    3   3H    THR   9           HT3      THR   9   5.571   3.635   3.635
    4    HA   THR   9           HA       THR   9   3.869   4.724   4.724
    5    HB   THR   9           HB       THR   9   1.927   2.799   2.799
    6    HG1  THR   9           HG1      THR   9   1.921   4.727   4.727
    7   1HG2  THR   9          HG21      THR   9   1.396   4.658   4.658
    8   2HG2  THR   9          HG23      THR   9   1.437   5.713   5.713
    9   3HG2  THR   9          HG22      THR   9   0.303   4.363   4.363
   10    H    PHE  10           HN       PHE  10   4.208   4.191   4.191
   11    HA   PHE  10           HA       PHE  10   3.385   1.536   1.536
   12   1HB   PHE  10           HB2      PHE  10   4.988   3.820   3.820
   13   2HB   PHE  10           HB1      PHE  10   4.140   2.835   2.835
   14    HD1  PHE  10           HD2      PHE  10   5.693   1.873   1.873
   15    HD2  PHE  10           HD1      PHE  10   5.775   1.430   1.430
   16    HE1  PHE  10           HE2      PHE  10   7.409   0.129   0.129
   17    HE2  PHE  10           HE1      PHE  10   7.492  -0.312  -0.312
   18    HZ   PHE  10           HZ       PHE  10   8.311  -0.964  -0.964
   19    H    VAL  11           HN       VAL  11   1.833   1.319   1.319
   20    HA   VAL  11           HA       VAL  11  -0.010   3.652   3.652
   21    HB   VAL  11           HB       VAL  11  -0.834   0.761   0.761
   22   1HG1  VAL  11          HG13      VAL  11  -2.415   3.315   3.315
   23   2HG1  VAL  11          HG12      VAL  11  -3.127   1.795   1.795
   24   3HG1  VAL  11          HG11      VAL  11  -2.386   1.900   1.900
   25   1HG2  VAL  11          HG22      VAL  11  -0.297   2.960   2.960
   26   2HG2  VAL  11          HG21      VAL  11  -0.633   1.266   1.266
   27   3HG2  VAL  11          HG23      VAL  11  -1.965   2.402   2.402
   28    H    ALA  12           HN       ALA  12  -0.488   4.079   4.079
   29    HA   ALA  12           HA       ALA  12   0.694   2.487   2.487
   30   1HB   ALA  12           HB2      ALA  12  -1.110   4.894   4.894
   31   2HB   ALA  12           HB1      ALA  12  -0.807   4.071   4.071
   32   3HB   ALA  12           HB3      ALA  12   0.535   4.767   4.767
   33    H    LEU  13           HN       LEU  13  -0.160   0.535   0.535
   34    HA   LEU  13           HA       LEU  13  -2.865  -0.245  -0.245
   35   1HB   LEU  13           HB2      LEU  13  -1.032  -1.471  -1.471
   36   2HB   LEU  13           HB1      LEU  13  -2.368  -2.255  -2.255
   37    HG   LEU  13           HG       LEU  13  -0.177  -1.059  -1.059
   38   1HD1  LEU  13          HD13      LEU  13   0.179  -3.174  -3.174
   39   2HD1  LEU  13          HD12      LEU  13   0.590  -3.706  -3.706
   40   3HD1  LEU  13          HD11      LEU  13   1.394  -2.299  -2.299
   41   1HD2  LEU  13          HD22      LEU  13  -2.199  -3.269  -3.269
   42   2HD2  LEU  13          HD21      LEU  13  -1.841  -1.994  -1.994
   43   3HD2  LEU  13          HD23      LEU  13  -0.746  -3.366  -3.366
   44    H    TYR  14           HN       TYR  14  -1.257   0.762   0.762
   45    HA   TYR  14           HA       TYR  14  -3.987   1.124   1.124
   46   1HB   TYR  14           HB2      TYR  14  -1.604   1.053   1.053
   47   2HB   TYR  14           HB1      TYR  14  -3.223   0.408   0.408
   48    HD1  TYR  14           HD1      TYR  14  -3.512  -1.204  -1.204
   49    HD2  TYR  14           HD2      TYR  14  -0.248  -0.862  -0.862
   50    HE1  TYR  14           HE1      TYR  14  -2.718  -3.425  -3.425
   51    HE2  TYR  14           HE2      TYR  14   0.543  -3.084  -3.084
   52    HH   TYR  14           HH       TYR  14  -0.009  -4.984  -4.984
   53    H    ASP  15           HN       ASP  15  -4.445   3.090   3.090
   54    HA   ASP  15           HA       ASP  15  -3.118   5.422   5.422
   55   1HB   ASP  15           HB2      ASP  15  -5.400   5.630   5.630
   56   2HB   ASP  15           HB1      ASP  15  -5.039   4.986   4.986
   57    H    TYR  16           HN       TYR  16  -1.099   6.058   6.058
   58    HA   TYR  16           HA       TYR  16  -0.017   5.262   5.262
   59   1HB   TYR  16           HB2      TYR  16   1.448   4.911   4.911
   60   2HB   TYR  16           HB1      TYR  16   1.254   6.587   6.587
   61    HD1  TYR  16           HD1      TYR  16   1.611   5.489   5.489
   62    HD2  TYR  16           HD2      TYR  16   3.569   7.265   7.265
   63    HE1  TYR  16           HE1      TYR  16   3.485   6.136   6.136
   64    HE2  TYR  16           HE2      TYR  16   5.442   7.913   7.913
   65    HH   TYR  16           HH       TYR  16   6.457   7.246   7.246
   66    H    GLU  17           HN       GLU  17  -0.362   6.642   6.642
   67    HA   GLU  17           HA       GLU  17  -0.740   9.533   9.533
   68   1HB   GLU  17           HB2      GLU  17  -1.687   7.674   7.674
   69   2HB   GLU  17           HB1      GLU  17  -1.241   9.280   9.280
   70   1HG   GLU  17           HG2      GLU  17  -2.642  10.068  10.068
   71   2HG   GLU  17           HG1      GLU  17  -3.395   8.482   8.482
   72    H    SER  18           HN       SER  18   1.684   9.611   9.611
   73    HA   SER  18           HA       SER  18   3.609   9.123   9.123
   74   1HB   SER  18           HB2      SER  18   3.486  10.553  10.553
   75   2HB   SER  18           HB1      SER  18   4.438  11.459  11.459
   76    HG   SER  18           HG       SER  18   5.390   9.609   9.609
   77    H    ARG  19           HN       ARG  19   4.886  11.162  11.162
   78    HA   ARG  19           HA       ARG  19   2.950  13.158  13.158
   79   1HB   ARG  19           HB2      ARG  19   4.829  11.581  11.581
   80   2HB   ARG  19           HB1      ARG  19   3.636  12.776  12.776
   81   1HG   ARG  19           HG2      ARG  19   2.187  11.060  11.060
   82   2HG   ARG  19           HG1      ARG  19   2.170  10.962  10.962
   83   1HD   ARG  19           HD2      ARG  19   4.281   9.507   9.507
   84   2HD   ARG  19           HD1      ARG  19   3.865   9.387   9.387
   85    HE   ARG  19           HE       ARG  19   1.521   8.684   8.684
   86   1HH1  ARG  19          HH21      ARG  19   4.831   7.708   7.708
   87   2HH1  ARG  19          HH22      ARG  19   4.463   6.074   6.074
   88   1HH2  ARG  19          HH11      ARG  19   1.031   6.556   6.556
   89   2HH2  ARG  19          HH12      ARG  19   2.316   5.423   5.423
   90    H    THR  20           HN       THR  20   4.914  13.620  13.620
   91    HA   THR  20           HA       THR  20   6.420  15.752  15.752
   92    HB   THR  20           HB       THR  20   7.798  13.797  13.797
   93    HG1  THR  20           HG1      THR  20   8.765  15.821  15.821
   94   1HG2  THR  20          HG22      THR  20   7.242  12.347  12.347
   95   2HG2  THR  20          HG21      THR  20   8.193  13.407  13.407
   96   3HG2  THR  20          HG23      THR  20   8.984  12.490  12.490
   97    H    GLU  21           HN       GLU  21   7.571  17.016  17.016
   98    HA   GLU  21           HA       GLU  21   6.275  17.024  17.024
   99   1HB   GLU  21           HB2      GLU  21   7.621  18.898  18.898
  100   2HB   GLU  21           HB1      GLU  21   7.435  18.967  18.967
  101   1HG   GLU  21           HG2      GLU  21   9.802  17.744  17.744
  102   2HG   GLU  21           HG1      GLU  21   9.792  19.338  19.338
  103    H    THR  22           HN       THR  22   9.040  15.326  15.326
  104    HA   THR  22           HA       THR  22  10.466  14.932  14.932
  105    HB   THR  22           HB       THR  22  10.912  12.610  12.610
  106    HG1  THR  22           HG1      THR  22  10.573  12.939  12.939
  107   1HG2  THR  22          HG22      THR  22  12.218  15.052  15.052
  108   2HG2  THR  22          HG21      THR  22  12.384  14.775  14.775
  109   3HG2  THR  22          HG23      THR  22  12.948  13.558  13.558
  110    H    ASP  23           HN       ASP  23   9.126  12.041  12.041
  111    HA   ASP  23           HA       ASP  23   8.479  10.804  10.804
  112   1HB   ASP  23           HB2      ASP  23   7.083  10.363  10.363
  113   2HB   ASP  23           HB1      ASP  23   7.158   9.225   9.225
  114    H    LEU  24           HN       LEU  24   6.755  10.970  10.970
  115    HA   LEU  24           HA       LEU  24   4.732  13.040  13.040
  116   1HB   LEU  24           HB2      LEU  24   5.680  11.626  11.626
  117   2HB   LEU  24           HB1      LEU  24   4.047  12.293  12.293
  118    HG   LEU  24           HG       LEU  24   6.586  13.831  13.831
  119   1HD1  LEU  24          HD11      LEU  24   6.047  13.128  13.128
  120   2HD1  LEU  24          HD13      LEU  24   4.718  14.282  14.282
  121   3HD1  LEU  24          HD12      LEU  24   6.381  14.832  14.832
  122   1HD2  LEU  24          HD21      LEU  24   3.653  14.549  14.549
  123   2HD2  LEU  24          HD23      LEU  24   4.851  14.828  14.828
  124   3HD2  LEU  24          HD22      LEU  24   4.898  15.778  15.778
  125    H    SER  25           HN       SER  25   2.858  12.414  12.414
  126    HA   SER  25           HA       SER  25   2.086   9.640   9.640
  127   1HB   SER  25           HB2      SER  25  -0.001  11.704  11.704
  128   2HB   SER  25           HB1      SER  25   0.512  10.407  10.407
  129    HG   SER  25           HG       SER  25   1.216  12.236  12.236
  130    H    PHE  26           HN       PHE  26   0.408   8.550   8.550
  131    HA   PHE  26           HA       PHE  26  -0.837  10.004  10.004
  132   1HB   PHE  26           HB2      PHE  26  -0.522   7.741   7.741
  133   2HB   PHE  26           HB1      PHE  26   0.846   8.849   8.849
  134    HD1  PHE  26           HD2      PHE  26  -0.660   5.797   5.797
  135    HD2  PHE  26           HD1      PHE  26   2.827   8.230   8.230
  136    HE1  PHE  26           HE2      PHE  26   0.638   4.035   4.035
  137    HE2  PHE  26           HE1      PHE  26   4.125   6.464   6.464
  138    HZ   PHE  26           HZ       PHE  26   3.030   4.367   4.367
  139    H    LYS  27           HN       LYS  27  -2.653   8.547   8.547
  140    HA   LYS  27           HA       LYS  27  -3.963   7.024   7.024
  141   1HB   LYS  27           HB2      LYS  27  -5.009   9.273   9.273
  142   2HB   LYS  27           HB1      LYS  27  -6.128   7.985   7.985
  143   1HG   LYS  27           HG2      LYS  27  -4.490   8.805   8.805
  144   2HG   LYS  27           HG1      LYS  27  -5.387  10.165  10.165
  145   1HD   LYS  27           HD2      LYS  27  -6.546   7.503   7.503
  146   2HD   LYS  27           HD1      LYS  27  -6.758   9.055   9.055
  147   1HE   LYS  27           HE2      LYS  27  -7.695   9.852   9.852
  148   2HE   LYS  27           HE1      LYS  27  -7.890   8.131   8.131
  149   1HZ   LYS  27           HZ1      LYS  27  -8.893   9.331   9.331
  150   2HZ   LYS  27           HZ3      LYS  27  -9.821   9.372   9.372
  151   3HZ   LYS  27           HZ2      LYS  27  -9.365   7.880   7.880
  152    H    LYS  28           HN       LYS  28  -5.533   5.412   5.412
  153    HA   LYS  28           HA       LYS  28  -4.608   3.677   3.677
  154   1HB   LYS  28           HB2      LYS  28  -6.422   3.014   3.014
  155   2HB   LYS  28           HB1      LYS  28  -7.476   4.262   4.262
  156   1HG   LYS  28           HG2      LYS  28  -8.154   2.284   2.284
  157   2HG   LYS  28           HG1      LYS  28  -7.105   3.088   3.088
  158   1HD   LYS  28           HD2      LYS  28  -5.569   1.426   1.426
  159   2HD   LYS  28           HD1      LYS  28  -5.628   1.358   1.358
  160   1HE   LYS  28           HE2      LYS  28  -6.892  -0.501  -0.501
  161   2HE   LYS  28           HE1      LYS  28  -8.114   0.369   0.369
  162   1HZ   LYS  28           HZ3      LYS  28  -6.063  -0.097  -0.097
  163   2HZ   LYS  28           HZ2      LYS  28  -6.207  -1.545  -1.545
  164   3HZ   LYS  28           HZ1      LYS  28  -7.554  -0.911  -0.911
  165    H    GLY  29           HN       GLY  29  -4.511   3.711   3.711
  166   1HA   GLY  29           HA2      GLY  29  -5.229   4.247   4.247
  167   2HA   GLY  29           HA1      GLY  29  -6.389   5.389   5.389
  168    H    GLU  30           HN       GLU  30  -3.283   5.682   5.682
  169    HA   GLU  30           HA       GLU  30  -2.910   8.263   8.263
  170   1HB   GLU  30           HB2      GLU  30  -2.566   8.045   8.045
  171   2HB   GLU  30           HB1      GLU  30  -1.218   6.951   6.951
  172   1HG   GLU  30           HG2      GLU  30  -0.402   9.247   9.247
  173   2HG   GLU  30           HG1      GLU  30  -0.084   8.735   8.735
  174    H    ARG  31           HN       ARG  31  -1.547   8.522   8.522
  175    HA   ARG  31           HA       ARG  31   0.160   6.220   6.220
  176   1HB   ARG  31           HB2      ARG  31  -0.989   8.590   8.590
  177   2HB   ARG  31           HB1      ARG  31   0.455   7.816   7.816
  178   1HG   ARG  31           HG2      ARG  31  -0.652   5.836   5.836
  179   2HG   ARG  31           HG1      ARG  31  -1.836   6.073   6.073
  180   1HD   ARG  31           HD2      ARG  31  -1.780   7.959   7.959
  181   2HD   ARG  31           HD1      ARG  31  -2.571   6.391   6.391
  182    HE   ARG  31           HE       ARG  31  -3.647   7.392   7.392
  183   1HH1  ARG  31          HH21      ARG  31  -3.207   8.579   8.579
  184   2HH1  ARG  31          HH22      ARG  31  -4.618   9.582   9.582
  185   1HH2  ARG  31          HH11      ARG  31  -5.487   8.696   8.696
  186   2HH2  ARG  31          HH12      ARG  31  -5.908   9.649   9.649
  187    H    LEU  32           HN       LEU  32   2.275   6.284   6.284
  188    HA   LEU  32           HA       LEU  32   3.624   8.948   8.948
  189   1HB   LEU  32           HB2      LEU  32   4.166   6.711   6.711
  190   2HB   LEU  32           HB1      LEU  32   4.738   8.378   8.378
  191    HG   LEU  32           HG       LEU  32   1.989   8.675   8.675
  192   1HD1  LEU  32          HD13      LEU  32   2.189   6.045   6.045
  193   2HD1  LEU  32          HD12      LEU  32   2.324   6.654   6.654
  194   3HD1  LEU  32          HD11      LEU  32   0.900   7.038   7.038
  195   1HD2  LEU  32          HD21      LEU  32   4.108   8.896   8.896
  196   2HD2  LEU  32          HD23      LEU  32   2.865  10.059  10.059
  197   3HD2  LEU  32          HD22      LEU  32   2.476   8.750   8.750
  198    H    GLN  33           HN       GLN  33   4.980   8.774   8.774
  199    HA   GLN  33           HA       GLN  33   6.073   6.304   6.304
  200   1HB   GLN  33           HB2      GLN  33   6.475   9.195   9.195
  201   2HB   GLN  33           HB1      GLN  33   7.814   8.129   8.129
  202   1HG   GLN  33           HG2      GLN  33   6.490   8.096   8.096
  203   2HG   GLN  33           HG1      GLN  33   5.970   6.642   6.642
  204   1HE2  GLN  33          HE21      GLN  33   4.273   8.069   8.069
  205   2HE2  GLN  33          HE22      GLN  33   2.955   8.691   8.691
  206    H    ILE  34           HN       ILE  34   7.247   5.131   5.131
  207    HA   ILE  34           HA       ILE  34   8.844   5.980   5.980
  208    HB   ILE  34           HB       ILE  34   9.456   3.719   3.719
  209   1HG1  ILE  34          HG12      ILE  34   7.258   3.448   3.448
  210   2HG1  ILE  34          HG11      ILE  34   8.349   2.362   2.362
  211   1HG2  ILE  34          HG23      ILE  34  10.572   4.525   4.525
  212   2HG2  ILE  34          HG22      ILE  34  10.529   2.824   2.824
  213   3HG2  ILE  34          HG21      ILE  34  11.433   3.981   3.981
  214   1HD1  ILE  34          HD11      ILE  34   8.651   4.422   4.422
  215   2HD1  ILE  34          HD13      ILE  34   7.105   4.930   4.930
  216   3HD1  ILE  34          HD12      ILE  34   7.233   3.384   3.384
  217    H    VAL  35           HN       VAL  35  11.256   6.167   6.167
  218    HA   VAL  35           HA       VAL  35  12.341   7.504   7.504
  219    HB   VAL  35           HB       VAL  35  12.813   8.070   8.070
  220   1HG1  VAL  35          HG11      VAL  35  14.280   9.097   9.097
  221   2HG1  VAL  35          HG13      VAL  35  14.397   9.832   9.832
  222   3HG1  VAL  35          HG12      VAL  35  14.970   8.183   8.183
  223   1HG2  VAL  35          HG22      VAL  35  10.799   9.050   9.050
  224   2HG2  VAL  35          HG21      VAL  35  11.919  10.251  10.251
  225   3HG2  VAL  35          HG23      VAL  35  11.915   9.885   9.885
  226    H    ASN  36           HN       ASN  36  13.182   5.520   5.520
  227    HA   ASN  36           HA       ASN  36  14.971   3.866   3.866
  228   1HB   ASN  36           HB2      ASN  36  16.102   6.275   6.275
  229   2HB   ASN  36           HB1      ASN  36  16.635   5.119   5.119
  230   1HD2  ASN  36          HD22      ASN  36  18.100   4.884   4.884
  231   2HD2  ASN  36          HD21      ASN  36  16.910   6.025   6.025
  232    H    ASN  37           HN       ASN  37  16.637   2.973   2.973
  233    HA   ASN  37           HA       ASN  37  16.607   1.611   1.611
  234   1HB   ASN  37           HB2      ASN  37  13.997   2.943   2.943
  235   2HB   ASN  37           HB1      ASN  37  15.199   2.233   2.233
  236   1HD2  ASN  37          HD22      ASN  37  15.638   6.070   6.070
  237   2HD2  ASN  37          HD21      ASN  37  14.323   5.122   5.122
  238    H    THR  38           HN       THR  38  16.208  -0.472  -0.472
  239    HA   THR  38           HA       THR  38  13.401  -1.195  -1.195
  240    HB   THR  38           HB       THR  38  14.624  -1.876  -1.876
  241    HG1  THR  38           HG1      THR  38  15.250  -4.165  -4.165
  242   1HG2  THR  38          HG21      THR  38  16.890  -2.468  -2.468
  243   2HG2  THR  38          HG23      THR  38  16.951  -2.794  -2.794
  244   3HG2  THR  38          HG22      THR  38  16.800  -1.136  -1.136
  245    H    GLU  39           HN       GLU  39  16.254  -2.285  -2.285
  246    HA   GLU  39           HA       GLU  39  14.736  -4.402  -4.402
  247   1HB   GLU  39           HB2      GLU  39  17.502  -3.311  -3.311
  248   2HB   GLU  39           HB1      GLU  39  16.829  -4.830  -4.830
  249   1HG   GLU  39           HG2      GLU  39  16.458  -5.282  -5.282
  250   2HG   GLU  39           HG1      GLU  39  17.752  -4.095  -4.095
  251    H    GLY  40           HN       GLY  40  16.000  -3.980  -3.980
  252   1HA   GLY  40           HA2      GLY  40  15.430  -2.972  -2.972
  253   2HA   GLY  40           HA1      GLY  40  15.454  -1.454  -1.454
  254    H    ASP  41           HN       ASP  41  13.600  -0.657  -0.657
  255    HA   ASP  41           HA       ASP  41  11.047  -1.716  -1.716
  256   1HB   ASP  41           HB2      ASP  41  11.160  -1.070  -1.070
  257   2HB   ASP  41           HB1      ASP  41  10.048  -2.128  -2.128
  258    H    TRP  42           HN       TRP  42  12.615   0.704   0.704
  259    HA   TRP  42           HA       TRP  42  10.476   2.655   2.655
  260   1HB   TRP  42           HB2      TRP  42  13.144   2.905   2.905
  261   2HB   TRP  42           HB1      TRP  42  12.124   4.305   4.305
  262    HD1  TRP  42           HD1      TRP  42  12.508   1.421   1.421
  263    HE1  TRP  42           HE1      TRP  42  10.550   1.531   1.531
  264    HE3  TRP  42           HE3      TRP  42   9.773   4.815   4.815
  265    HZ2  TRP  42           HZ2      TRP  42   7.990   2.971   2.971
  266    HZ3  TRP  42           HZ3      TRP  42   7.599   5.584   5.584
  267    HH2  TRP  42           HH2      TRP  42   6.708   4.663   4.663
  268    H    TRP  43           HN       TRP  43  10.374   3.675   3.675
  269    HA   TRP  43           HA       TRP  43  12.944   4.222   4.222
  270   1HB   TRP  43           HB2      TRP  43  10.313   3.694   3.694
  271   2HB   TRP  43           HB1      TRP  43  11.934   3.681   3.681
  272    HD1  TRP  43           HD1      TRP  43  13.419   1.812   1.812
  273    HE1  TRP  43           HE1      TRP  43  12.753  -0.626  -0.626
  274    HE3  TRP  43           HE3      TRP  43   8.982   2.187   2.187
  275    HZ2  TRP  43           HZ2      TRP  43  10.464  -2.299  -2.299
  276    HZ3  TRP  43           HZ3      TRP  43   7.533   0.238   0.238
  277    HH2  TRP  43           HH2      TRP  43   8.274  -2.004  -2.004
  278    H    LEU  44           HN       LEU  44  12.504   6.003   6.003
  279    HA   LEU  44           HA       LEU  44  10.896   8.144   8.144
  280   1HB   LEU  44           HB2      LEU  44  13.415   8.454   8.454
  281   2HB   LEU  44           HB1      LEU  44  13.056   8.536   8.536
  282    HG   LEU  44           HG       LEU  44  11.424  10.387  10.387
  283   1HD1  LEU  44          HD13      LEU  44  11.069   9.809   9.809
  284   2HD1  LEU  44          HD12      LEU  44  12.736  10.265  10.265
  285   3HD1  LEU  44          HD11      LEU  44  11.583  11.483  11.483
  286   1HD2  LEU  44          HD21      LEU  44  14.245  10.440  10.440
  287   2HD2  LEU  44          HD23      LEU  44  13.136  11.762  11.762
  288   3HD2  LEU  44          HD22      LEU  44  13.803  11.593  11.593
  289    H    ALA  45           HN       ALA  45   8.942   8.399   8.399
  290    HA   ALA  45           HA       ALA  45   8.789   7.861   7.861
  291   1HB   ALA  45           HB3      ALA  45   7.218   6.863   6.863
  292   2HB   ALA  45           HB2      ALA  45   6.289   8.289   8.289
  293   3HB   ALA  45           HB1      ALA  45   6.677   7.063   7.063
  294    H    HIS  46           HN       HIS  46   7.395   9.313   9.313
  295    HA   HIS  46           HA       HIS  46   7.090  12.047  12.047
  296   1HB   HIS  46           HB2      HIS  46   9.229  12.042  12.042
  297   2HB   HIS  46           HB1      HIS  46   8.438  11.370  11.370
  298    HD1  HIS  46           HD1      HIS  46   6.948  14.099  14.099
  299    HD2  HIS  46           HD2      HIS  46   8.739  13.631  13.631
  300    HE1  HIS  46           HE1      HIS  46   6.613  16.217  16.217
  301    H    SER  47           HN       SER  47   5.199  13.030  13.030
  302    HA   SER  47           HA       SER  47   3.312  11.394  11.394
  303   1HB   SER  47           HB2      SER  47   3.197  14.114  14.114
  304   2HB   SER  47           HB1      SER  47   1.891  13.554  13.554
  305    HG   SER  47           HG       SER  47   2.908  12.150  12.150
  306    H    LEU  48           HN       LEU  48   5.856  13.116  13.116
  307    HA   LEU  48           HA       LEU  48   6.341  14.322  14.322
  308   1HB   LEU  48           HB2      LEU  48   4.210  12.471  12.471
  309   2HB   LEU  48           HB1      LEU  48   5.527  13.221  13.221
  310    HG   LEU  48           HG       LEU  48   5.745  11.111  11.111
  311   1HD1  LEU  48          HD11      LEU  48   6.536  11.218  11.218
  312   2HD1  LEU  48          HD13      LEU  48   6.921   9.887   9.887
  313   3HD1  LEU  48          HD12      LEU  48   5.240  10.249  10.249
  314   1HD2  LEU  48          HD22      LEU  48   7.637  13.175  13.175
  315   2HD2  LEU  48          HD21      LEU  48   7.723  12.073  12.073
  316   3HD2  LEU  48          HD23      LEU  48   8.279  11.548  11.548
  317    H    THR  49           HN       THR  49   4.206  15.491  15.491
  318    HA   THR  49           HA       THR  49   2.547  16.741  16.741
  319    HB   THR  49           HB       THR  49   1.995  16.407  16.407
  320    HG1  THR  49           HG1      THR  49   0.348  15.113  15.113
  321   1HG2  THR  49          HG22      THR  49   0.887  18.248  18.248
  322   2HG2  THR  49          HG21      THR  49  -0.308  17.374  17.374
  323   3HG2  THR  49          HG23      THR  49   0.896  18.384  18.384
  324    H    THR  50           HN       THR  50   2.840  18.075  18.075
  325    HA   THR  50           HA       THR  50   3.727  20.622  20.622
  326    HB   THR  50           HB       THR  50   3.935  21.156  21.156
  327    HG1  THR  50           HG1      THR  50   2.382  19.491  19.491
  328   1HG2  THR  50          HG23      THR  50   1.473  20.512  20.512
  329   2HG2  THR  50          HG22      THR  50   1.296  20.925  20.925
  330   3HG2  THR  50          HG21      THR  50   2.048  22.070  22.070
  331    H    GLY  51           HN       GLY  51   5.269  17.846  17.846
  332   1HA   GLY  51           HA2      GLY  51   7.688  17.568  17.568
  333   2HA   GLY  51           HA1      GLY  51   7.880  19.287  19.287
  334    H    GLN  52           HN       GLN  52   5.780  17.392  17.392
  335    HA   GLN  52           HA       GLN  52   7.637  17.867  17.867
  336   1HB   GLN  52           HB2      GLN  52   4.893  16.658  16.658
  337   2HB   GLN  52           HB1      GLN  52   5.785  17.637  17.637
  338   1HG   GLN  52           HG2      GLN  52   5.562  19.595  19.595
  339   2HG   GLN  52           HG1      GLN  52   4.604  18.607  18.607
  340   1HE2  GLN  52          HE22      GLN  52   2.169  18.261  18.261
  341   2HE2  GLN  52          HE21      GLN  52   3.292  17.157  17.157
  342    H    THR  53           HN       THR  53   8.932  16.243  16.243
  343    HA   THR  53           HA       THR  53   8.236  13.463  13.463
  344    HB   THR  53           HB       THR  53  10.758  14.968  14.968
  345    HG1  THR  53           HG1      THR  53  10.040  12.583  12.583
  346   1HG2  THR  53          HG22      THR  53  10.901  13.404  13.404
  347   2HG2  THR  53          HG21      THR  53  10.671  12.054  12.054
  348   3HG2  THR  53          HG23      THR  53  12.108  13.068  13.068
  349    H    GLY  54           HN       GLY  54   8.897  11.762  11.762
  350   1HA   GLY  54           HA2      GLY  54   9.174  12.414  12.414
  351   2HA   GLY  54           HA1      GLY  54   7.464  12.173  12.173
  352    H    TYR  55           HN       TYR  55   9.865  10.557  10.557
  353    HA   TYR  55           HA       TYR  55  10.254   8.142   8.142
  354   1HB   TYR  55           HB2      TYR  55   9.951   8.694   8.694
  355   2HB   TYR  55           HB1      TYR  55  10.461   7.141   7.141
  356    HD1  TYR  55           HD1      TYR  55  12.221   7.838   7.838
  357    HD2  TYR  55           HD2      TYR  55  11.846   9.721   9.721
  358    HE1  TYR  55           HE1      TYR  55  14.526   8.655   8.655
  359    HE2  TYR  55           HE2      TYR  55  14.148  10.541  10.541
  360    HH   TYR  55           HH       TYR  55  15.791  10.855  10.855
  361    H    ILE  56           HN       ILE  56   9.204   5.974   5.974
  362    HA   ILE  56           HA       ILE  56   6.380   6.175   6.175
  363    HB   ILE  56           HB       ILE  56   5.575   5.039   5.039
  364   1HG1  ILE  56          HG12      ILE  56   7.396   5.524   5.524
  365   2HG1  ILE  56          HG11      ILE  56   8.484   5.189   5.189
  366   1HG2  ILE  56          HG21      ILE  56   5.620   7.586   7.586
  367   2HG2  ILE  56          HG23      ILE  56   7.027   7.595   7.595
  368   3HG2  ILE  56          HG22      ILE  56   5.471   7.023   7.023
  369   1HD1  ILE  56          HD11      ILE  56   6.743   3.168   3.168
  370   2HD1  ILE  56          HD13      ILE  56   6.567   3.380   3.380
  371   3HD1  ILE  56          HD12      ILE  56   8.151   3.025   3.025
  372    HA   PRO  57           HA       PRO  57   7.672   2.313   2.313
  373   1HB   PRO  57           HB2      PRO  57   4.942   1.484   1.484
  374   2HB   PRO  57           HB1      PRO  57   6.043   2.123   2.123
  375   1HG   PRO  57           HG2      PRO  57   3.775   3.448   3.448
  376   2HG   PRO  57           HG1      PRO  57   4.870   4.082   4.082
  377   1HD   PRO  57           HD1      PRO  57   4.721   4.821   4.821
  378   2HD   PRO  57           HD2      PRO  57   5.817   5.461   5.461
  379    H    SER  58           HN       SER  58   8.195   0.454   0.454
  380    HA   SER  58           HA       SER  58   7.173  -0.082  -0.082
  381   1HB   SER  58           HB2      SER  58   8.797  -1.682  -1.682
  382   2HB   SER  58           HB1      SER  58   9.359  -0.913  -0.913
  383    HG   SER  58           HG       SER  58   9.031  -3.237  -3.237
  384    H    ASN  59           HN       ASN  59   6.430  -1.453  -1.453
  385    HA   ASN  59           HA       ASN  59   4.619  -3.463  -3.463
  386   1HB   ASN  59           HB2      ASN  59   5.508  -2.491  -2.491
  387   2HB   ASN  59           HB1      ASN  59   3.807  -2.956  -2.956
  388   1HD2  ASN  59          HD22      ASN  59   6.243  -5.953  -5.953
  389   2HD2  ASN  59          HD21      ASN  59   6.326  -4.409  -4.409
  390    H    TYR  60           HN       TYR  60   4.377  -0.134  -0.134
  391    HA   TYR  60           HA       TYR  60   1.422  -0.182  -0.182
  392   1HB   TYR  60           HB2      TYR  60   3.540   1.882   1.882
  393   2HB   TYR  60           HB1      TYR  60   1.988   2.439   2.439
  394    HD1  TYR  60           HD1      TYR  60   3.273   0.150   0.150
  395    HD2  TYR  60           HD2      TYR  60   0.397   3.086   3.086
  396    HE1  TYR  60           HE1      TYR  60   2.332   0.074   0.074
  397    HE2  TYR  60           HE2      TYR  60  -0.543   3.010   3.010
  398    HH   TYR  60           HH       TYR  60  -0.478   0.933   0.933
  399    H    VAL  61           HN       VAL  61   3.842  -0.054  -0.054
  400    HA   VAL  61           HA       VAL  61   1.753   0.732   0.732
  401    HB   VAL  61           HB       VAL  61   3.265   2.530   2.530
  402   1HG1  VAL  61          HG12      VAL  61   5.177   0.465   0.465
  403   2HG1  VAL  61          HG11      VAL  61   5.849   1.627   1.627
  404   3HG1  VAL  61          HG13      VAL  61   5.147   2.189   2.189
  405   1HG2  VAL  61          HG23      VAL  61   2.917   1.567   1.567
  406   2HG2  VAL  61          HG22      VAL  61   4.519   2.289   2.289
  407   3HG2  VAL  61          HG21      VAL  61   4.331   0.538   0.538
  408    H    ALA  62           HN       ALA  62   2.280  -0.174  -0.174
  409    HA   ALA  62           HA       ALA  62   4.006  -2.521  -2.521
  410   1HB   ALA  62           HB1      ALA  62   1.061  -2.783  -2.783
  411   2HB   ALA  62           HB3      ALA  62   1.829  -3.905  -3.905
  412   3HB   ALA  62           HB2      ALA  62   2.374  -3.823  -3.823
  413    HA   PRO  63           HA       PRO  63   3.959  -1.605  -1.605
  414   1HB   PRO  63           HB2      PRO  63   3.762  -4.336  -4.336
  415   2HB   PRO  63           HB1      PRO  63   5.209  -3.325  -3.325
  416   1HG   PRO  63           HG2      PRO  63   4.480  -5.538  -5.538
  417   2HG   PRO  63           HG1      PRO  63   5.931  -4.533  -4.533
  418   1HD   PRO  63           HD1      PRO  63   3.662  -4.528  -4.528
  419   2HD   PRO  63           HD2      PRO  63   5.113  -3.512  -3.512
  420    H    SER  64           HN       SER  64   2.265  -0.953  -0.953
  421    HA   SER  64           HA       SER  64   0.152  -2.616  -2.616
  422   1HB   SER  64           HB2      SER  64  -0.564  -2.630  -2.630
  423   2HB   SER  64           HB1      SER  64  -0.588  -0.867  -0.867
  424    HG   SER  64           HG       SER  64  -2.379  -2.660  -2.660
  425   1H    ARG  71           HT1      ARG  71  14.531   1.620   1.620
  426   2H    ARG  71           HT3      ARG  71  14.819   3.279   3.279
  427   3H    ARG  71           HT2      ARG  71  14.078   2.376   2.376
  428    HA   ARG  71           HA       ARG  71  12.328   3.539   3.539
  429   1HB   ARG  71           HB2      ARG  71  14.034   3.633   3.633
  430   2HB   ARG  71           HB1      ARG  71  12.712   2.609   2.609
  431   1HG   ARG  71           HG2      ARG  71  12.022   4.828   4.828
  432   2HG   ARG  71           HG1      ARG  71  11.138   4.404   4.404
  433   1HD   ARG  71           HD2      ARG  71  13.368   5.424   5.424
  434   2HD   ARG  71           HD1      ARG  71  13.357   6.350   6.350
  435    HE   ARG  71           HE       ARG  71  11.456   6.624   6.624
  436   1HH1  ARG  71          HH21      ARG  71  12.040   6.953   6.953
  437   2HH1  ARG  71          HH22      ARG  71  10.826   8.168   8.168
  438   1HH2  ARG  71          HH11      ARG  71   9.871   8.208   8.208
  439   2HH2  ARG  71          HH12      ARG  71   9.600   8.878   8.878
  440    H    ALA  72           HN       ALA  72  11.400   1.747   1.747
  441    HA   ALA  72           HA       ALA  72  11.065  -0.864  -0.864
  442   1HB   ALA  72           HB3      ALA  72  10.635   0.279   0.279
  443   2HB   ALA  72           HB2      ALA  72   9.049  -0.260  -0.260
  444   3HB   ALA  72           HB1      ALA  72  10.388  -1.404  -1.404
  445    H    LEU  73           HN       LEU  73   9.218  -1.689  -1.689
  446    HA   LEU  73           HA       LEU  73   7.701   0.119   0.119
  447   1HB   LEU  73           HB2      LEU  73   7.175  -2.769  -2.769
  448   2HB   LEU  73           HB1      LEU  73   6.253  -1.890  -1.890
  449    HG   LEU  73           HG       LEU  73   9.237  -2.436  -2.436
  450   1HD1  LEU  73          HD12      LEU  73   6.834  -3.593  -3.593
  451   2HD1  LEU  73          HD11      LEU  73   8.342  -3.487  -3.487
  452   3HD1  LEU  73          HD13      LEU  73   8.280  -4.405  -4.405
  453   1HD2  LEU  73          HD22      LEU  73   7.578  -0.432  -0.432
  454   2HD2  LEU  73          HD21      LEU  73   9.336  -0.557  -0.557
  455   3HD2  LEU  73          HD23      LEU  73   8.443  -1.460  -1.460
  456    HA   PRO  74           HA       PRO  74   4.644   1.529   1.529
  457   1HB   PRO  74           HB2      PRO  74   2.677   1.884   1.884
  458   2HB   PRO  74           HB1      PRO  74   3.755   3.111   3.111
  459   1HG   PRO  74           HG2      PRO  74   3.853   1.872   1.872
  460   2HG   PRO  74           HG1      PRO  74   4.865   3.176   3.176
  461   1HD   PRO  74           HD1      PRO  74   5.609   0.430   0.430
  462   2HD   PRO  74           HD2      PRO  74   6.611   1.728   1.728
  463    HA   PRO  75           HA       PRO  75   1.937  -1.776  -1.776
  464   1HB   PRO  75           HB2      PRO  75  -0.422  -0.174  -0.174
  465   2HB   PRO  75           HB1      PRO  75   0.667  -0.826  -0.826
  466   1HG   PRO  75           HG2      PRO  75   0.408   1.920   1.920
  467   2HG   PRO  75           HG1      PRO  75   1.492   1.271   1.271
  468   1HD   PRO  75           HD1      PRO  75   2.180   2.218   2.218
  469   2HD   PRO  75           HD2      PRO  75   3.268   1.557   1.557
  470    H    LEU  76           HN       LEU  76   1.382  -3.044  -3.044
  471    HA   LEU  76           HA       LEU  76  -0.130  -1.952  -1.952
  472   1HB   LEU  76           HB2      LEU  76   0.766  -4.770  -4.770
  473   2HB   LEU  76           HB1      LEU  76  -0.049  -4.326  -4.326
  474    HG   LEU  76           HG       LEU  76   2.416  -2.837  -2.837
  475   1HD1  LEU  76          HD13      LEU  76   2.447  -5.580  -5.580
  476   2HD1  LEU  76          HD12      LEU  76   2.848  -5.003  -5.003
  477   3HD1  LEU  76          HD11      LEU  76   3.834  -4.516  -4.516
  478   1HD2  LEU  76          HD21      LEU  76   0.712  -2.372  -2.372
  479   2HD2  LEU  76          HD23      LEU  76   2.443  -2.076  -2.076
  480   3HD2  LEU  76          HD22      LEU  76   1.739  -3.562  -3.562
  481    HA   PRO  77           HA       PRO  77  -4.195  -2.732  -2.732
  482   1HB   PRO  77           HB2      PRO  77  -5.115  -3.702  -3.702
  483   2HB   PRO  77           HB1      PRO  77  -5.329  -2.089  -2.089
  484   1HG   PRO  77           HG2      PRO  77  -3.585  -2.876  -2.876
  485   2HG   PRO  77           HG1      PRO  77  -3.818  -1.258  -1.258
  486   1HD   PRO  77           HD1      PRO  77  -1.530  -2.986  -2.986
  487   2HD   PRO  77           HD2      PRO  77  -1.771  -1.368  -1.368
  488    H    ARG  78           HN       ARG  78  -5.983  -4.660  -4.660
  489    HA   ARG  78           HA       ARG  78  -4.787  -7.065  -7.065
  490   1HB   ARG  78           HB2      ARG  78  -7.536  -6.810  -6.810
  491   2HB   ARG  78           HB1      ARG  78  -7.010  -7.966  -7.966
  492   1HG   ARG  78           HG2      ARG  78  -6.973  -6.355  -6.355
  493   2HG   ARG  78           HG1      ARG  78  -6.808  -5.019  -5.019
  494   1HD   ARG  78           HD2      ARG  78  -9.121  -5.385  -5.385
  495   2HD   ARG  78           HD1      ARG  78  -9.084  -5.088  -5.088
  496    HE   ARG  78           HE       ARG  78  -8.975  -7.924  -7.924
  497   1HH1  ARG  78          HH21      ARG  78 -10.949  -5.144  -5.144
  498   2HH1  ARG  78          HH22      ARG  78 -12.341  -6.065  -6.065
  499   1HH2  ARG  78          HH11      ARG  78 -10.787  -9.134  -9.134
  500   2HH2  ARG  78          HH12      ARG  78 -12.252  -8.320  -8.320
  501    H    TYR  79           HN       TYR  79  -6.471  -8.892  -8.892
  502    HA   TYR  79           HA       TYR  79  -4.519  -9.690  -9.690
  503   1HB   TYR  79           HB2      TYR  79  -6.838 -10.787 -10.787
  504   2HB   TYR  79           HB1      TYR  79  -7.280 -10.456 -10.456
  505    HD1  TYR  79           HD1      TYR  79  -4.964 -10.918 -10.918
  506    HD2  TYR  79           HD2      TYR  79  -6.159 -13.011 -13.011
  507    HE1  TYR  79           HE1      TYR  79  -3.672 -12.872 -12.872
  508    HE2  TYR  79           HE2      TYR  79  -4.866 -14.964 -14.964
  509    HH   TYR  79           HH       TYR  79  -2.524 -14.908 -14.908

  Start of MODEL   16
    1   1H    THR   9           HT1      THR   9   5.634   2.219   2.219
    2   2H    THR   9           HT3      THR   9   4.520   2.040   2.040
    3   3H    THR   9           HT2      THR   9   5.563   3.380   3.380
    4    HA   THR   9           HA       THR   9   4.432   4.417   4.417
    5    HB   THR   9           HB       THR   9   1.963   3.172   3.172
    6    HG1  THR   9           HG1      THR   9   2.473   3.003   3.003
    7   1HG2  THR   9          HG22      THR   9   2.179   5.460   5.460
    8   2HG2  THR   9          HG21      THR   9   3.187   5.912   5.912
    9   3HG2  THR   9          HG23      THR   9   1.498   5.472   5.472
   10    H    PHE  10           HN       PHE  10   4.228   4.003   4.003
   11    HA   PHE  10           HA       PHE  10   3.112   1.362   1.362
   12   1HB   PHE  10           HB2      PHE  10   5.053   3.278   3.278
   13   2HB   PHE  10           HB1      PHE  10   4.070   2.287   2.287
   14    HD1  PHE  10           HD1      PHE  10   6.321   2.049   2.049
   15    HD2  PHE  10           HD2      PHE  10   4.654   0.019   0.019
   16    HE1  PHE  10           HE1      PHE  10   7.773   0.120   0.120
   17    HE2  PHE  10           HE2      PHE  10   6.108  -1.908  -1.908
   18    HZ   PHE  10           HZ       PHE  10   7.669  -1.860  -1.860
   19    H    VAL  11           HN       VAL  11   1.909   1.591   1.591
   20    HA   VAL  11           HA       VAL  11   0.327   4.089   4.089
   21    HB   VAL  11           HB       VAL  11  -1.221   1.521   1.521
   22   1HG1  VAL  11          HG13      VAL  11  -1.753   4.416   4.416
   23   2HG1  VAL  11          HG12      VAL  11  -2.918   3.117   3.117
   24   3HG1  VAL  11          HG11      VAL  11  -2.399   3.525   3.525
   25   1HG2  VAL  11          HG21      VAL  11   0.183   1.486   1.486
   26   2HG2  VAL  11          HG23      VAL  11  -1.520   1.740   1.740
   27   3HG2  VAL  11          HG22      VAL  11  -0.397   3.100   3.100
   28    H    ALA  12           HN       ALA  12  -0.792   4.303   4.303
   29    HA   ALA  12           HA       ALA  12   0.487   2.779   2.779
   30   1HB   ALA  12           HB1      ALA  12  -1.208   5.241   5.241
   31   2HB   ALA  12           HB3      ALA  12  -1.107   4.396   4.396
   32   3HB   ALA  12           HB2      ALA  12   0.357   5.019   5.019
   33    H    LEU  13           HN       LEU  13  -0.477   0.703   0.703
   34    HA   LEU  13           HA       LEU  13  -3.228   0.136   0.136
   35   1HB   LEU  13           HB2      LEU  13  -1.274  -1.362  -1.362
   36   2HB   LEU  13           HB1      LEU  13  -2.764  -2.002  -2.002
   37    HG   LEU  13           HG       LEU  13  -0.473  -0.932  -0.932
   38   1HD1  LEU  13          HD13      LEU  13  -0.965  -3.577  -3.577
   39   2HD1  LEU  13          HD12      LEU  13  -0.485  -3.608  -3.608
   40   3HD1  LEU  13          HD11      LEU  13   0.555  -2.834  -2.834
   41   1HD2  LEU  13          HD21      LEU  13  -2.816  -0.976  -0.976
   42   2HD2  LEU  13          HD23      LEU  13  -1.645  -1.959  -1.959
   43   3HD2  LEU  13          HD22      LEU  13  -2.797  -2.727  -2.727
   44    H    TYR  14           HN       TYR  14  -1.402   0.484   0.484
   45    HA   TYR  14           HA       TYR  14  -4.002   0.848   0.848
   46   1HB   TYR  14           HB2      TYR  14  -1.341   0.624   0.624
   47   2HB   TYR  14           HB1      TYR  14  -2.939   0.153   0.153
   48    HD1  TYR  14           HD1      TYR  14  -3.606  -1.191  -1.191
   49    HD2  TYR  14           HD2      TYR  14  -0.436  -1.620  -1.620
   50    HE1  TYR  14           HE1      TYR  14  -3.170  -3.445  -3.445
   51    HE2  TYR  14           HE2      TYR  14  -0.023  -3.892  -3.892
   52    HH   TYR  14           HH       TYR  14  -2.137  -5.413  -5.413
   53    H    ASP  15           HN       ASP  15  -4.356   2.704   2.704
   54    HA   ASP  15           HA       ASP  15  -3.233   5.150   5.150
   55   1HB   ASP  15           HB2      ASP  15  -4.689   4.613   4.613
   56   2HB   ASP  15           HB1      ASP  15  -4.419   6.202   6.202
   57    H    TYR  16           HN       TYR  16  -1.659   6.512   6.512
   58    HA   TYR  16           HA       TYR  16  -0.045   5.306   5.306
   59   1HB   TYR  16           HB2      TYR  16   1.148   5.117   5.117
   60   2HB   TYR  16           HB1      TYR  16   0.935   6.842   6.842
   61    HD1  TYR  16           HD1      TYR  16   1.723   5.235   5.235
   62    HD2  TYR  16           HD2      TYR  16   3.211   7.584   7.584
   63    HE1  TYR  16           HE1      TYR  16   3.762   5.696   5.696
   64    HE2  TYR  16           HE2      TYR  16   5.250   8.049   8.049
   65    HH   TYR  16           HH       TYR  16   5.574   7.809   7.809
   66    H    GLU  17           HN       GLU  17  -0.661   6.583   6.583
   67    HA   GLU  17           HA       GLU  17  -0.963   9.499   9.499
   68   1HB   GLU  17           HB2      GLU  17  -2.297   7.727   7.727
   69   2HB   GLU  17           HB1      GLU  17  -1.114   8.370   8.370
   70   1HG   GLU  17           HG2      GLU  17  -1.806  10.675  10.675
   71   2HG   GLU  17           HG1      GLU  17  -3.024  10.005  10.005
   72    H    SER  18           HN       SER  18   1.617   8.917   8.917
   73    HA   SER  18           HA       SER  18   3.526   8.625   8.625
   74   1HB   SER  18           HB2      SER  18   4.999   9.444   9.444
   75   2HB   SER  18           HB1      SER  18   3.601   9.429   9.429
   76    HG   SER  18           HG       SER  18   3.681  11.507  11.507
   77    H    ARG  19           HN       ARG  19   4.190   9.798   9.798
   78    HA   ARG  19           HA       ARG  19   2.706  12.312  12.312
   79   1HB   ARG  19           HB2      ARG  19   4.165  10.300  10.300
   80   2HB   ARG  19           HB1      ARG  19   3.871  11.925  11.925
   81   1HG   ARG  19           HG2      ARG  19   1.717  11.421  11.421
   82   2HG   ARG  19           HG1      ARG  19   1.472  10.894  10.894
   83   1HD   ARG  19           HD2      ARG  19   1.069   8.913   8.913
   84   2HD   ARG  19           HD1      ARG  19   2.790   8.753   8.753
   85    HE   ARG  19           HE       ARG  19   2.258  10.072  10.072
   86   1HH1  ARG  19          HH21      ARG  19   2.625   7.089   7.089
   87   2HH1  ARG  19          HH22      ARG  19   3.102   6.197   6.197
   88   1HH2  ARG  19          HH11      ARG  19   2.878   8.916   8.916
   89   2HH2  ARG  19          HH12      ARG  19   3.245   7.229   7.229
   90    H    THR  20           HN       THR  20   5.845  11.149  11.149
   91    HA   THR  20           HA       THR  20   7.441  13.262  13.262
   92    HB   THR  20           HB       THR  20   8.771  12.570  12.570
   93    HG1  THR  20           HG1      THR  20   7.427  10.226  10.226
   94   1HG2  THR  20          HG21      THR  20   9.557  12.400  12.400
   95   2HG2  THR  20          HG23      THR  20   8.624  10.912  10.912
   96   3HG2  THR  20          HG22      THR  20   9.977  10.979  10.979
   97    H    GLU  21           HN       GLU  21   8.349  15.106  15.106
   98    HA   GLU  21           HA       GLU  21   6.334  16.339  16.339
   99   1HB   GLU  21           HB2      GLU  21   8.625  17.307  17.307
  100   2HB   GLU  21           HB1      GLU  21   8.202  18.250  18.250
  101   1HG   GLU  21           HG2      GLU  21   6.271  17.434  17.434
  102   2HG   GLU  21           HG1      GLU  21   6.980  19.039  19.039
  103    H    THR  22           HN       THR  22   7.701  14.162  14.162
  104    HA   THR  22           HA       THR  22   9.142  15.585  15.585
  105    HB   THR  22           HB       THR  22  10.335  12.996  12.996
  106    HG1  THR  22           HG1      THR  22  10.552  12.987  12.987
  107   1HG2  THR  22          HG21      THR  22  11.268  15.867  15.867
  108   2HG2  THR  22          HG23      THR  22  12.379  14.523  14.523
  109   3HG2  THR  22          HG22      THR  22  11.503  14.659  14.659
  110    H    ASP  23           HN       ASP  23   8.558  12.135  12.135
  111    HA   ASP  23           HA       ASP  23   7.895  11.269  11.269
  112   1HB   ASP  23           HB2      ASP  23   6.267  10.382  10.382
  113   2HB   ASP  23           HB1      ASP  23   6.784   9.426   9.426
  114    H    LEU  24           HN       LEU  24   6.047  11.310  11.310
  115    HA   LEU  24           HA       LEU  24   4.093  13.424  13.424
  116   1HB   LEU  24           HB2      LEU  24   4.660  11.826  11.826
  117   2HB   LEU  24           HB1      LEU  24   3.280  12.916  12.916
  118    HG   LEU  24           HG       LEU  24   6.158  13.735  13.735
  119   1HD1  LEU  24          HD12      LEU  24   4.355  14.148  14.148
  120   2HD1  LEU  24          HD11      LEU  24   5.926  14.916  14.916
  121   3HD1  LEU  24          HD13      LEU  24   5.819  13.165  13.165
  122   1HD2  LEU  24          HD23      LEU  24   3.519  15.023  15.023
  123   2HD2  LEU  24          HD22      LEU  24   5.060  15.419  15.419
  124   3HD2  LEU  24          HD21      LEU  24   4.711  15.988  15.988
  125    H    SER  25           HN       SER  25   2.842  12.355  12.355
  126    HA   SER  25           HA       SER  25   1.790   9.787   9.787
  127   1HB   SER  25           HB2      SER  25  -0.357  11.567  11.567
  128   2HB   SER  25           HB1      SER  25   0.668  10.620  10.620
  129    HG   SER  25           HG       SER  25   1.852  12.315  12.315
  130    H    PHE  26           HN       PHE  26   0.200   8.697   8.697
  131    HA   PHE  26           HA       PHE  26  -1.309  10.287  10.287
  132   1HB   PHE  26           HB2      PHE  26  -1.037   8.160   8.160
  133   2HB   PHE  26           HB1      PHE  26   0.330   9.266   9.266
  134    HD1  PHE  26           HD2      PHE  26  -1.057   6.063   6.063
  135    HD2  PHE  26           HD1      PHE  26   2.374   8.581   8.581
  136    HE1  PHE  26           HE2      PHE  26   0.319   4.218   4.218
  137    HE2  PHE  26           HE1      PHE  26   3.750   6.730   6.730
  138    HZ   PHE  26           HZ       PHE  26   2.722   4.551   4.551
  139    H    LYS  27           HN       LYS  27  -2.861   8.315   8.315
  140    HA   LYS  27           HA       LYS  27  -4.151   6.947   6.947
  141   1HB   LYS  27           HB2      LYS  27  -5.171   9.256   9.256
  142   2HB   LYS  27           HB1      LYS  27  -6.134   7.914   7.914
  143   1HG   LYS  27           HG2      LYS  27  -7.208   7.715   7.715
  144   2HG   LYS  27           HG1      LYS  27  -5.676   7.586   7.586
  145   1HD   LYS  27           HD2      LYS  27  -6.687   9.537   9.537
  146   2HD   LYS  27           HD1      LYS  27  -5.519  10.149  10.149
  147   1HE   LYS  27           HE2      LYS  27  -7.321  11.329  11.329
  148   2HE   LYS  27           HE1      LYS  27  -7.680   9.822   9.822
  149   1HZ   LYS  27           HZ3      LYS  27  -8.616   9.928   9.928
  150   2HZ   LYS  27           HZ2      LYS  27  -9.354  11.055  11.055
  151   3HZ   LYS  27           HZ1      LYS  27  -9.413   9.398   9.398
  152    H    LYS  28           HN       LYS  28  -6.239   5.747   5.747
  153    HA   LYS  28           HA       LYS  28  -4.895   3.764   3.764
  154   1HB   LYS  28           HB2      LYS  28  -6.514   2.884   2.884
  155   2HB   LYS  28           HB1      LYS  28  -7.716   4.083   4.083
  156   1HG   LYS  28           HG2      LYS  28  -6.740   2.473   2.473
  157   2HG   LYS  28           HG1      LYS  28  -7.553   1.519   1.519
  158   1HD   LYS  28           HD2      LYS  28  -8.666   3.963   3.963
  159   2HD   LYS  28           HD1      LYS  28  -9.205   2.296   2.296
  160   1HE   LYS  28           HE2      LYS  28  -9.566   4.119   4.119
  161   2HE   LYS  28           HE1      LYS  28 -10.771   3.141   3.141
  162   1HZ   LYS  28           HZ2      LYS  28  -9.595   1.152   1.152
  163   2HZ   LYS  28           HZ1      LYS  28  -8.588   2.162   2.162
  164   3HZ   LYS  28           HZ3      LYS  28 -10.256   2.108   2.108
  165    H    GLY  29           HN       GLY  29  -4.981   3.630   3.630
  166   1HA   GLY  29           HA2      GLY  29  -5.861   3.993   3.993
  167   2HA   GLY  29           HA1      GLY  29  -7.066   5.078   5.078
  168    H    GLU  30           HN       GLU  30  -4.147   5.930   5.930
  169    HA   GLU  30           HA       GLU  30  -3.934   8.242   8.242
  170   1HB   GLU  30           HB2      GLU  30  -3.899   8.598   8.598
  171   2HB   GLU  30           HB1      GLU  30  -2.429   7.629   7.629
  172   1HG   GLU  30           HG2      GLU  30  -1.489   9.738   9.738
  173   2HG   GLU  30           HG1      GLU  30  -1.602   9.341   9.341
  174    H    ARG  31           HN       ARG  31  -2.705   7.872   7.872
  175    HA   ARG  31           HA       ARG  31  -0.594   5.885   5.885
  176   1HB   ARG  31           HB2      ARG  31  -0.928   8.165   8.165
  177   2HB   ARG  31           HB1      ARG  31  -0.273   6.556   6.556
  178   1HG   ARG  31           HG2      ARG  31  -2.326   5.719   5.719
  179   2HG   ARG  31           HG1      ARG  31  -2.973   6.409   6.409
  180   1HD   ARG  31           HD2      ARG  31  -4.014   8.022   8.022
  181   2HD   ARG  31           HD1      ARG  31  -2.472   8.538   8.538
  182    HE   ARG  31           HE       ARG  31  -2.998   7.342   7.342
  183   1HH1  ARG  31          HH21      ARG  31  -5.044   6.469   6.469
  184   2HH1  ARG  31          HH22      ARG  31  -6.117   5.525   5.525
  185   1HH2  ARG  31          HH11      ARG  31  -4.389   6.110   6.110
  186   2HH2  ARG  31          HH12      ARG  31  -5.747   5.320   5.320
  187    H    LEU  32           HN       LEU  32   1.708   6.333   6.333
  188    HA   LEU  32           HA       LEU  32   2.558   9.097   9.097
  189   1HB   LEU  32           HB2      LEU  32   3.129   6.660   6.660
  190   2HB   LEU  32           HB1      LEU  32   4.057   8.156   8.156
  191    HG   LEU  32           HG       LEU  32   1.442   9.055   9.055
  192   1HD1  LEU  32          HD11      LEU  32   0.981   6.471   6.471
  193   2HD1  LEU  32          HD13      LEU  32   1.513   6.765   6.765
  194   3HD1  LEU  32          HD12      LEU  32   0.122   7.634   7.634
  195   1HD2  LEU  32          HD23      LEU  32   3.650   9.379   9.379
  196   2HD2  LEU  32          HD22      LEU  32   2.061   9.850   9.850
  197   3HD2  LEU  32          HD21      LEU  32   2.770   8.313   8.313
  198    H    GLN  33           HN       GLN  33   4.371   9.611   9.611
  199    HA   GLN  33           HA       GLN  33   5.534   7.775   7.775
  200   1HB   GLN  33           HB2      GLN  33   5.854  10.516  10.516
  201   2HB   GLN  33           HB1      GLN  33   7.457   9.779   9.779
  202   1HG   GLN  33           HG2      GLN  33   7.485   9.534   9.534
  203   2HG   GLN  33           HG1      GLN  33   5.838   8.902   8.902
  204   1HE2  GLN  33          HE22      GLN  33   4.587  12.446  12.446
  205   2HE2  GLN  33          HE21      GLN  33   4.471  11.126  11.126
  206    H    ILE  34           HN       ILE  34   7.868   7.025   7.025
  207    HA   ILE  34           HA       ILE  34   8.728   6.404   6.404
  208    HB   ILE  34           HB       ILE  34   8.744   4.572   4.572
  209   1HG1  ILE  34          HG12      ILE  34   6.583   4.825   4.825
  210   2HG1  ILE  34          HG11      ILE  34   7.248   3.195   3.195
  211   1HG2  ILE  34          HG23      ILE  34  10.794   4.516   4.516
  212   2HG2  ILE  34          HG22      ILE  34   9.676   3.858   3.858
  213   3HG2  ILE  34          HG21      ILE  34   9.963   2.993   2.993
  214   1HD1  ILE  34          HD11      ILE  34   8.272   4.882   4.882
  215   2HD1  ILE  34          HD13      ILE  34   6.511   4.794   4.794
  216   3HD1  ILE  34          HD12      ILE  34   7.468   3.315   3.315
  217    H    VAL  35           HN       VAL  35  11.014   6.333   6.333
  218    HA   VAL  35           HA       VAL  35  12.611   7.378   7.378
  219    HB   VAL  35           HB       VAL  35  12.790   8.093   8.093
  220   1HG1  VAL  35          HG12      VAL  35  14.613   8.827   8.827
  221   2HG1  VAL  35          HG11      VAL  35  14.688   9.543   9.543
  222   3HG1  VAL  35          HG13      VAL  35  15.045   7.830   7.830
  223   1HG2  VAL  35          HG22      VAL  35  12.249   9.721   9.721
  224   2HG2  VAL  35          HG21      VAL  35  11.057   9.287   9.287
  225   3HG2  VAL  35          HG23      VAL  35  12.380  10.380  10.380
  226    H    ASN  36           HN       ASN  36  13.698   6.443   6.443
  227    HA   ASN  36           HA       ASN  36  15.506   4.457   4.457
  228   1HB   ASN  36           HB2      ASN  36  15.601   6.143   6.143
  229   2HB   ASN  36           HB1      ASN  36  16.189   4.498   4.498
  230   1HD2  ASN  36          HD22      ASN  36  19.056   6.549   6.549
  231   2HD2  ASN  36          HD21      ASN  36  18.059   6.583   6.583
  232    H    ASN  37           HN       ASN  37  15.405   2.258   2.258
  233    HA   ASN  37           HA       ASN  37  13.636   1.348   1.348
  234   1HB   ASN  37           HB2      ASN  37  12.282  -0.077  -0.077
  235   2HB   ASN  37           HB1      ASN  37  11.974   1.654   1.654
  236   1HD2  ASN  37          HD22      ASN  37  13.154  -0.304  -0.304
  237   2HD2  ASN  37          HD21      ASN  37  12.483  -1.041  -1.041
  238    H    THR  38           HN       THR  38  15.650   0.388   0.388
  239    HA   THR  38           HA       THR  38  16.254  -2.135  -2.135
  240    HB   THR  38           HB       THR  38  18.069  -0.891  -0.891
  241    HG1  THR  38           HG1      THR  38  19.211  -2.437  -2.437
  242   1HG2  THR  38          HG22      THR  38  17.499   0.716   0.716
  243   2HG2  THR  38          HG21      THR  38  19.230   0.494   0.494
  244   3HG2  THR  38          HG23      THR  38  18.241   1.194   1.194
  245    H    GLU  39           HN       GLU  39  18.302  -1.053  -1.053
  246    HA   GLU  39           HA       GLU  39  17.305  -3.260  -3.260
  247   1HB   GLU  39           HB2      GLU  39  19.371  -1.311  -1.311
  248   2HB   GLU  39           HB1      GLU  39  19.281  -3.053  -3.053
  249   1HG   GLU  39           HG2      GLU  39  20.807  -3.219  -3.219
  250   2HG   GLU  39           HG1      GLU  39  19.487  -2.808  -2.808
  251    H    GLY  40           HN       GLY  40  16.509  -2.944  -2.944
  252   1HA   GLY  40           HA2      GLY  40  15.682  -1.593  -1.593
  253   2HA   GLY  40           HA1      GLY  40  15.793  -0.173  -0.173
  254    H    ASP  41           HN       ASP  41  13.478  -0.177  -0.177
  255    HA   ASP  41           HA       ASP  41  11.566  -1.459  -1.459
  256   1HB   ASP  41           HB2      ASP  41  11.484  -1.127  -1.127
  257   2HB   ASP  41           HB1      ASP  41   9.966  -1.094  -1.094
  258    H    TRP  42           HN       TRP  42  12.779   1.449   1.449
  259    HA   TRP  42           HA       TRP  42  10.324   2.956   2.956
  260   1HB   TRP  42           HB2      TRP  42  12.855   3.780   3.780
  261   2HB   TRP  42           HB1      TRP  42  11.555   4.896   4.896
  262    HD1  TRP  42           HD1      TRP  42  12.191   1.729   1.729
  263    HE1  TRP  42           HE1      TRP  42  10.385   1.761   1.761
  264    HE3  TRP  42           HE3      TRP  42   9.569   5.597   5.597
  265    HZ2  TRP  42           HZ2      TRP  42   7.972   3.325   3.325
  266    HZ3  TRP  42           HZ3      TRP  42   7.530   6.384   6.384
  267    HH2  TRP  42           HH2      TRP  42   6.731   5.245   5.245
  268    H    TRP  43           HN       TRP  43  10.235   3.716   3.716
  269    HA   TRP  43           HA       TRP  43  12.818   4.295   4.295
  270   1HB   TRP  43           HB2      TRP  43  10.107   3.725   3.725
  271   2HB   TRP  43           HB1      TRP  43  11.623   3.922   3.922
  272    HD1  TRP  43           HD1      TRP  43  13.360   2.118   2.118
  273    HE1  TRP  43           HE1      TRP  43  13.045  -0.381  -0.381
  274    HE3  TRP  43           HE3      TRP  43   9.059   2.097   2.097
  275    HZ2  TRP  43           HZ2      TRP  43  11.088  -2.254  -2.254
  276    HZ3  TRP  43           HZ3      TRP  43   7.946   0.013   0.013
  277    HH2  TRP  43           HH2      TRP  43   8.957  -2.161  -2.161
  278    H    LEU  44           HN       LEU  44  12.707   6.149   6.149
  279    HA   LEU  44           HA       LEU  44  11.161   8.364   8.364
  280   1HB   LEU  44           HB2      LEU  44  13.606   8.670   8.670
  281   2HB   LEU  44           HB1      LEU  44  13.270   8.451   8.451
  282    HG   LEU  44           HG       LEU  44  11.835  10.539  10.539
  283   1HD1  LEU  44          HD12      LEU  44  14.298  10.904  10.904
  284   2HD1  LEU  44          HD11      LEU  44  14.367  10.907  10.907
  285   3HD1  LEU  44          HD13      LEU  44  13.478  12.171  12.171
  286   1HD2  LEU  44          HD21      LEU  44  12.014   9.731   9.731
  287   2HD2  LEU  44          HD23      LEU  44  10.696  10.524  10.524
  288   3HD2  LEU  44          HD22      LEU  44  12.072  11.468  11.468
  289    H    ALA  45           HN       ALA  45   9.086   8.293   8.293
  290    HA   ALA  45           HA       ALA  45   8.922   8.102   8.102
  291   1HB   ALA  45           HB2      ALA  45   7.565   6.615   6.615
  292   2HB   ALA  45           HB1      ALA  45   6.378   7.562   7.562
  293   3HB   ALA  45           HB3      ALA  45   7.440   6.442   6.442
  294    H    HIS  46           HN       HIS  46   7.528   9.509   9.509
  295    HA   HIS  46           HA       HIS  46   6.771  11.935  11.935
  296   1HB   HIS  46           HB2      HIS  46   8.208  11.789  11.789
  297   2HB   HIS  46           HB1      HIS  46   6.597  11.822  11.822
  298    HD1  HIS  46           HD1      HIS  46   8.303  14.271  14.271
  299    HD2  HIS  46           HD2      HIS  46   5.719  13.830  13.830
  300    HE1  HIS  46           HE1      HIS  46   7.835  16.538  16.538
  301    H    SER  47           HN       SER  47   4.776  12.908  12.908
  302    HA   SER  47           HA       SER  47   2.776  10.863  10.863
  303   1HB   SER  47           HB2      SER  47   1.710  12.682  12.682
  304   2HB   SER  47           HB1      SER  47   1.497  10.941  10.941
  305    HG   SER  47           HG       SER  47   2.713  11.523  11.523
  306    H    LEU  48           HN       LEU  48   3.795  12.738  12.738
  307    HA   LEU  48           HA       LEU  48   1.535  14.108  14.108
  308   1HB   LEU  48           HB2      LEU  48   2.628  16.487  16.487
  309   2HB   LEU  48           HB1      LEU  48   1.443  15.734  15.734
  310    HG   LEU  48           HG       LEU  48   4.137  14.752  14.752
  311   1HD1  LEU  48          HD13      LEU  48   3.727  17.659  17.659
  312   2HD1  LEU  48          HD12      LEU  48   4.447  17.200  17.200
  313   3HD1  LEU  48          HD11      LEU  48   5.226  16.731  16.731
  314   1HD2  LEU  48          HD23      LEU  48   1.699  15.421  15.421
  315   2HD2  LEU  48          HD22      LEU  48   3.067  14.477  14.477
  316   3HD2  LEU  48          HD21      LEU  48   3.042  16.227  16.227
  317    H    THR  49           HN       THR  49   4.598  15.761  15.761
  318    HA   THR  49           HA       THR  49   5.551  14.781  14.781
  319    HB   THR  49           HB       THR  49   5.847  17.693  17.693
  320    HG1  THR  49           HG1      THR  49   3.803  17.722  17.722
  321   1HG2  THR  49          HG22      THR  49   5.395  15.683  15.683
  322   2HG2  THR  49          HG21      THR  49   4.662  17.259  17.259
  323   3HG2  THR  49          HG23      THR  49   6.398  17.133  17.133
  324    H    THR  50           HN       THR  50   7.658  16.881  16.881
  325    HA   THR  50           HA       THR  50   9.292  15.657  15.657
  326    HB   THR  50           HB       THR  50  10.056  17.549  17.549
  327    HG1  THR  50           HG1      THR  50   9.541  15.003  15.003
  328   1HG2  THR  50          HG23      THR  50  11.386  16.819  16.819
  329   2HG2  THR  50          HG22      THR  50  12.287  16.181  16.181
  330   3HG2  THR  50          HG21      THR  50  11.938  17.907  17.907
  331    H    GLY  51           HN       GLY  51   7.284  17.317  17.317
  332   1HA   GLY  51           HA2      GLY  51   8.560  19.897  19.897
  333   2HA   GLY  51           HA1      GLY  51   6.930  19.449  19.449
  334    H    GLN  52           HN       GLN  52   6.864  17.667  17.667
  335    HA   GLN  52           HA       GLN  52   8.938  18.313  18.313
  336   1HB   GLN  52           HB2      GLN  52   6.373  16.894  16.894
  337   2HB   GLN  52           HB1      GLN  52   7.325  17.972  17.972
  338   1HG   GLN  52           HG2      GLN  52   6.631  19.903  19.903
  339   2HG   GLN  52           HG1      GLN  52   5.884  18.894  18.894
  340   1HE2  GLN  52          HE22      GLN  52   2.822  19.201  19.201
  341   2HE2  GLN  52          HE21      GLN  52   3.668  19.360  19.360
  342    H    THR  53           HN       THR  53   8.156  16.098  16.098
  343    HA   THR  53           HA       THR  53   8.731  13.615  13.615
  344    HB   THR  53           HB       THR  53  10.834  15.033  15.033
  345    HG1  THR  53           HG1      THR  53  10.999  13.423  13.423
  346   1HG2  THR  53          HG22      THR  53  10.444  12.809  12.809
  347   2HG2  THR  53          HG21      THR  53  10.721  12.045  12.045
  348   3HG2  THR  53          HG23      THR  53  12.028  12.920  12.920
  349    H    GLY  54           HN       GLY  54   8.777  11.762  11.762
  350   1HA   GLY  54           HA2      GLY  54   7.965  12.309  12.309
  351   2HA   GLY  54           HA1      GLY  54   6.620  11.763  11.763
  352    H    TYR  55           HN       TYR  55   9.441  10.782  10.782
  353    HA   TYR  55           HA       TYR  55   9.956   8.271   8.271
  354   1HB   TYR  55           HB2      TYR  55  10.159   8.616   8.616
  355   2HB   TYR  55           HB1      TYR  55  11.251   7.777   7.777
  356    HD1  TYR  55           HD1      TYR  55  11.748   9.744   9.744
  357    HD2  TYR  55           HD2      TYR  55  11.411  10.343  10.343
  358    HE1  TYR  55           HE1      TYR  55  13.126  11.764  11.764
  359    HE2  TYR  55           HE2      TYR  55  12.790  12.363  12.363
  360    HH   TYR  55           HH       TYR  55  13.611  13.769  13.769
  361    H    ILE  56           HN       ILE  56   8.184   6.982   6.982
  362    HA   ILE  56           HA       ILE  56   6.195   6.581   6.581
  363    HB   ILE  56           HB       ILE  56   4.808   5.525   5.525
  364   1HG1  ILE  56          HG12      ILE  56   5.971   6.081   6.081
  365   2HG1  ILE  56          HG11      ILE  56   7.385   5.639   5.639
  366   1HG2  ILE  56          HG23      ILE  56   5.193   8.142   8.142
  367   2HG2  ILE  56          HG22      ILE  56   5.837   8.013   8.013
  368   3HG2  ILE  56          HG21      ILE  56   4.174   7.530   7.530
  369   1HD1  ILE  56          HD13      ILE  56   5.186   3.825   3.825
  370   2HD1  ILE  56          HD12      ILE  56   5.545   3.880   3.880
  371   3HD1  ILE  56          HD11      ILE  56   6.813   3.459   3.459
  372    HA   PRO  57           HA       PRO  57   8.005   2.702   2.702
  373   1HB   PRO  57           HB2      PRO  57   5.552   1.660   1.660
  374   2HB   PRO  57           HB1      PRO  57   6.861   2.414   2.414
  375   1HG   PRO  57           HG2      PRO  57   4.235   3.502   3.502
  376   2HG   PRO  57           HG1      PRO  57   5.505   4.207   4.207
  377   1HD   PRO  57           HD1      PRO  57   4.688   5.030   5.030
  378   2HD   PRO  57           HD2      PRO  57   5.986   5.714   5.714
  379    H    SER  58           HN       SER  58   7.966   0.524   0.524
  380    HA   SER  58           HA       SER  58   6.510   0.220   0.220
  381   1HB   SER  58           HB2      SER  58   7.668  -2.203  -2.203
  382   2HB   SER  58           HB1      SER  58   8.524  -0.820  -0.820
  383    HG   SER  58           HG       SER  58   9.489  -1.958  -1.958
  384    H    ASN  59           HN       ASN  59   6.235  -0.977  -0.977
  385    HA   ASN  59           HA       ASN  59   4.484  -3.173  -3.173
  386   1HB   ASN  59           HB2      ASN  59   3.704  -2.603  -2.603
  387   2HB   ASN  59           HB1      ASN  59   5.379  -3.093  -3.093
  388   1HD2  ASN  59          HD22      ASN  59   6.706   0.077   0.077
  389   2HD2  ASN  59          HD21      ASN  59   7.041  -1.461  -1.461
  390    H    TYR  60           HN       TYR  60   3.958   0.266   0.266
  391    HA   TYR  60           HA       TYR  60   1.013  -0.126  -0.126
  392   1HB   TYR  60           HB2      TYR  60   2.782   2.315   2.315
  393   2HB   TYR  60           HB1      TYR  60   1.041   2.439   2.439
  394    HD1  TYR  60           HD2      TYR  60   1.393  -0.505  -0.505
  395    HD2  TYR  60           HD1      TYR  60   1.767   3.687   3.687
  396    HE1  TYR  60           HE2      TYR  60   0.997  -0.818  -0.818
  397    HE2  TYR  60           HE1      TYR  60   1.373   3.373   3.373
  398    HH   TYR  60           HH       TYR  60   1.050   1.928   1.928
  399    H    VAL  61           HN       VAL  61   3.617   0.328   0.328
  400    HA   VAL  61           HA       VAL  61   1.711   1.260   1.260
  401    HB   VAL  61           HB       VAL  61   4.158   2.247   2.247
  402   1HG1  VAL  61          HG11      VAL  61   5.082  -0.091  -0.091
  403   2HG1  VAL  61          HG13      VAL  61   4.776   0.469   0.469
  404   3HG1  VAL  61          HG12      VAL  61   5.891   1.357   1.357
  405   1HG2  VAL  61          HG21      VAL  61   2.341   2.942   2.942
  406   2HG2  VAL  61          HG23      VAL  61   4.006   3.389   3.389
  407   3HG2  VAL  61          HG22      VAL  61   3.269   2.014   2.014
  408    H    ALA  62           HN       ALA  62   2.970   0.242   0.242
  409    HA   ALA  62           HA       ALA  62   3.681  -2.496  -2.496
  410   1HB   ALA  62           HB2      ALA  62   0.758  -1.926  -1.926
  411   2HB   ALA  62           HB1      ALA  62   1.278  -3.201  -3.201
  412   3HB   ALA  62           HB3      ALA  62   1.659  -3.313  -3.313
  413    HA   PRO  63           HA       PRO  63   4.471  -1.533  -1.533
  414   1HB   PRO  63           HB2      PRO  63   4.150  -4.245  -4.245
  415   2HB   PRO  63           HB1      PRO  63   5.657  -3.390  -3.390
  416   1HG   PRO  63           HG2      PRO  63   4.404  -5.483  -5.483
  417   2HG   PRO  63           HG1      PRO  63   5.919  -4.640  -4.640
  418   1HD   PRO  63           HD1      PRO  63   3.385  -4.352  -4.352
  419   2HD   PRO  63           HD2      PRO  63   4.909  -3.512  -3.512
  420    H    SER  64           HN       SER  64   3.199  -0.966  -0.966
  421    HA   SER  64           HA       SER  64   0.662  -2.421  -2.421
  422   1HB   SER  64           HB2      SER  64   0.492  -0.276  -0.276
  423   2HB   SER  64           HB1      SER  64   0.485   0.561   0.561
  424    HG   SER  64           HG       SER  64  -1.290  -0.626  -0.626
  425   1H    ARG  71           HT3      ARG  71  14.219   1.925   1.925
  426   2H    ARG  71           HT2      ARG  71  14.363   1.693   1.693
  427   3H    ARG  71           HT1      ARG  71  15.021   3.081   3.081
  428    HA   ARG  71           HA       ARG  71  12.903   3.979   3.979
  429   1HB   ARG  71           HB2      ARG  71  13.683   4.232   4.232
  430   2HB   ARG  71           HB1      ARG  71  12.884   2.719   2.719
  431   1HG   ARG  71           HG2      ARG  71  11.396   4.518   4.518
  432   2HG   ARG  71           HG1      ARG  71  10.719   3.744   3.744
  433   1HD   ARG  71           HD2      ARG  71  10.614   5.902   5.902
  434   2HD   ARG  71           HD1      ARG  71  12.300   5.599   5.599
  435    HE   ARG  71           HE       ARG  71  12.942   7.077   7.077
  436   1HH1  ARG  71          HH21      ARG  71   9.644   6.089   6.089
  437   2HH1  ARG  71          HH22      ARG  71   9.289   7.200   7.200
  438   1HH2  ARG  71          HH11      ARG  71  12.490   8.528   8.528
  439   2HH2  ARG  71          HH12      ARG  71  10.897   8.580   8.580
  440    H    ALA  72           HN       ALA  72  12.813   0.582   0.582
  441    HA   ALA  72           HA       ALA  72  11.183  -1.059  -1.059
  442   1HB   ALA  72           HB3      ALA  72  10.984   0.861   0.861
  443   2HB   ALA  72           HB2      ALA  72   9.420   0.126   0.126
  444   3HB   ALA  72           HB1      ALA  72  10.805  -0.893  -0.893
  445    H    LEU  73           HN       LEU  73   9.708  -1.427  -1.427
  446    HA   LEU  73           HA       LEU  73   8.198   0.648   0.648
  447   1HB   LEU  73           HB2      LEU  73   7.576  -2.321  -2.321
  448   2HB   LEU  73           HB1      LEU  73   7.077  -1.144  -1.144
  449    HG   LEU  73           HG       LEU  73   9.967  -1.796  -1.796
  450   1HD1  LEU  73          HD12      LEU  73   8.249  -3.515  -3.515
  451   2HD1  LEU  73          HD11      LEU  73   8.782  -2.567  -2.567
  452   3HD1  LEU  73          HD13      LEU  73   9.964  -3.418  -3.418
  453   1HD2  LEU  73          HD22      LEU  73   9.117   0.473   0.473
  454   2HD2  LEU  73          HD21      LEU  73  10.541  -0.343  -0.343
  455   3HD2  LEU  73          HD23      LEU  73   8.983  -0.518  -0.518
  456    HA   PRO  74           HA       PRO  74   4.763   1.166   1.166
  457   1HB   PRO  74           HB2      PRO  74   2.837   1.441   1.441
  458   2HB   PRO  74           HB1      PRO  74   3.713   2.736   2.736
  459   1HG   PRO  74           HG2      PRO  74   4.056   1.770   1.770
  460   2HG   PRO  74           HG1      PRO  74   4.851   3.140   3.140
  461   1HD   PRO  74           HD1      PRO  74   5.986   0.566   0.566
  462   2HD   PRO  74           HD2      PRO  74   6.779   1.935   1.935
  463    HA   PRO  75           HA       PRO  75   2.953  -2.831  -2.831
  464   1HB   PRO  75           HB2      PRO  75   0.612  -1.762  -1.762
  465   2HB   PRO  75           HB1      PRO  75   1.995  -2.577  -2.577
  466   1HG   PRO  75           HG2      PRO  75   1.343   0.230   0.230
  467   2HG   PRO  75           HG1      PRO  75   2.735  -0.582  -0.582
  468   1HD   PRO  75           HD1      PRO  75   2.705   1.170   1.170
  469   2HD   PRO  75           HD2      PRO  75   4.101   0.348   0.348
  470    H    LEU  76           HN       LEU  76   1.980  -3.805  -3.805
  471    HA   LEU  76           HA       LEU  76   0.093  -2.381  -2.381
  472   1HB   LEU  76           HB2      LEU  76   1.035  -5.262  -5.262
  473   2HB   LEU  76           HB1      LEU  76  -0.078  -4.630  -4.630
  474    HG   LEU  76           HG       LEU  76   2.268  -2.923  -2.923
  475   1HD1  LEU  76          HD11      LEU  76   2.755  -5.716  -5.716
  476   2HD1  LEU  76          HD13      LEU  76   3.201  -5.196  -5.196
  477   3HD1  LEU  76          HD12      LEU  76   3.939  -4.428  -4.428
  478   1HD2  LEU  76          HD23      LEU  76   0.382  -3.512  -3.512
  479   2HD2  LEU  76          HD22      LEU  76   1.851  -2.573  -2.573
  480   3HD2  LEU  76          HD21      LEU  76   1.834  -4.301  -4.301
  481    HA   PRO  77           HA       PRO  77  -3.716  -3.460  -3.460
  482   1HB   PRO  77           HB2      PRO  77  -4.998  -4.360  -4.360
  483   2HB   PRO  77           HB1      PRO  77  -5.131  -2.775  -2.775
  484   1HG   PRO  77           HG2      PRO  77  -3.745  -3.441  -3.441
  485   2HG   PRO  77           HG1      PRO  77  -3.881  -1.856  -1.856
  486   1HD   PRO  77           HD1      PRO  77  -1.565  -3.585  -3.585
  487   2HD   PRO  77           HD2      PRO  77  -1.689  -1.976  -1.976
  488    H    ARG  78           HN       ARG  78  -2.708  -5.388  -5.388
  489    HA   ARG  78           HA       ARG  78  -4.155  -7.772  -7.772
  490   1HB   ARG  78           HB2      ARG  78  -3.059  -8.028  -8.028
  491   2HB   ARG  78           HB1      ARG  78  -1.478  -7.816  -7.816
  492   1HG   ARG  78           HG2      ARG  78  -2.481  -9.843  -9.843
  493   2HG   ARG  78           HG1      ARG  78  -3.254 -10.185 -10.185
  494   1HD   ARG  78           HD2      ARG  78  -0.507  -9.473  -9.473
  495   2HD   ARG  78           HD1      ARG  78  -0.575 -10.744 -10.744
  496    HE   ARG  78           HE       ARG  78  -1.209 -11.063 -11.063
  497   1HH1  ARG  78          HH21      ARG  78  -1.981 -12.049 -12.049
  498   2HH1  ARG  78          HH22      ARG  78  -2.568 -13.606 -13.606
  499   1HH2  ARG  78          HH11      ARG  78  -1.973 -13.091 -13.091
  500   2HH2  ARG  78          HH12      ARG  78  -2.564 -14.195 -14.195
  501    H    TYR  79           HN       TYR  79  -0.628  -7.385  -7.385
  502    HA   TYR  79           HA       TYR  79  -0.368  -9.007  -9.007
  503   1HB   TYR  79           HB2      TYR  79   1.578  -8.304  -8.304
  504   2HB   TYR  79           HB1      TYR  79   1.302  -6.622  -6.622
  505    HD1  TYR  79           HD2      TYR  79   1.214  -9.793  -9.793
  506    HD2  TYR  79           HD1      TYR  79   3.006  -5.969  -5.969
  507    HE1  TYR  79           HE2      TYR  79   2.519 -10.130 -10.130
  508    HE2  TYR  79           HE1      TYR  79   4.312  -6.307  -6.307
  509    HH   TYR  79           HH       TYR  79   4.845  -7.693  -7.693