*HEADER    COMPLEX (SIGNAL TRANSDUCTION/PEPTIDE)   10-OCT-94   1PRL      
*COMPND    C-SRC (SH3 DOMAIN) COMPLEXED WITH THE PROLINE-RICH            
*COMPND   2 LIGAND PLR1 (AFAPPLPRR) (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: PLR1 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 1PRL    0   

!July 11, 1994
!Src SH3/AFA9 restrains counted 497;intra-AFA9 27;intermol 15;New H-bond restrains 12
!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)  4.0 2.2 1.0	!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)  4.0 2.2 1.0   !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-AFA9 complex (6-21-94)
!AFA9 intramolecular NOEs
assign  (resid 71 and name ha)  (resid 71 and name hb#)  2.5 0.7 1.7
assign  (resid 72 and name ha)  (resid 72 and name hb#)  2.5 0.7 1.2
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 hb1) 4.0 2.2 1.0
assign  (resid 73 and name hn)  (resid 72 and name hb2) 4.0 2.2 1.0
assign  (resid 73 and name hn)  (resid 73 and name ha)  3.0 1.2 0.5
assign  (resid 73 and name hn)  (resid 73 and name hb#)  2.5 0.7 1.7  
assign  (resid 73 and name ha)  (resid 73 and name hb#)  2.5 0.7 1.7
assign  (resid 73 and name ha)  (resid 74 and name hd#)  2.5 0.7 1.2
assign  (resid 74 and name hb1)  (resid 75 and name hd1) 4.0 2.2 1.0
assign  (resid 74 and name hb2)  (resid 75 and name hd1) 4.0 2.2 1.0
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 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 ha)  (resid 76 and name hb1) 3.0 1.2 0.3 
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 76 and name hb2) 3.0 1.2 0.5 
assign  (resid 76 and name hn)  (resid 76 and name hg)  3.0 1.2 0.5
assign  (resid 78 and name hn)  (resid 77 and name hb1) 4.0 2.2 1.0
assign  (resid 78 and name hn)  (resid 78 and name hb#) 2.5 0.7 1.5
assign  (resid 78 and name hn)  (resid 78 and name hg#) 3.0 1.2 1.6
assign  (resid 78 and name hn)  (resid 77 and name ha)  2.5 0.7 0.2
assign  (resid 79 and name hn)  (resid 78 and name ha)  2.5 0.7 0.2
assign  (resid 79 and name hn)  (resid 78 and name hb#) 3.0 1.2 1.6 
assign  (resid 79 and name hn)  (resid 78 and name hg#) 4.0 2.2 2.0 

!AFA9 intermolecular NOEs
assign  (resid 59 and name hd2#)  (resid 74 and name hb2)  4.0 2.2 2.0
assign  (resid 42 and name hz2)  (resid 76 and name ha)  4.0 2.2 1.0
assign  (resid 42 and name hz2)  (resid 77 and name hd#)  4.0 2.2 2.0
assign  (resid 42 and name hz2)  (resid 76 and name hb1) 3.0 1.2 0.3 
assign  (resid 42 and name hz2)  (resid 76 and name hb2) 4.0 2.2 1.0
assign  (resid 42 and name hh2)  (resid 76 and name hb1) 4.0 2.2 1.0
assign  (resid 42 and name he1)  (resid 79 and name ha) 4.0 2.2 1.0
assign  (resid 42 and name he1)  (resid 77 and name hb#) 4.0 2.2 2.0
assign  (resid 42 and name he1)  (resid 79 and name hb#) 4.0 2.2 2.0
assign  (resid 42 and name he1)  (resid 79 and name hg#) 4.0 2.2 2.0
assign  (resid 42 and name hd1)  (resid 79 and name ha)  3.0 1.2 0.3
assign  (resid 42 and name hd1)  (resid 77 and name hb#) 4.0 2.2 2.0
assign  (resid 42 and name hd1)  (resid 79 and name hb#) 4.0 2.2 2.0
assign  (resid 42 and name hd1)  (resid 79 and name hg#) 4.0 2.2 2.0
assign  (resid 42 and name hz2)  (resid 79 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  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  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

!Salt bridge 
assign (resid 79 and name nh1)  (resid 23 and name od1)   3.5 1.0 0.5
assign (resid 79 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  13.060  30.135  30.135
    2   2H    THR   9           HT2      THR   9  14.444  30.196  30.196
    3   3H    THR   9           HT1      THR   9  13.370  28.885  28.885
    4    HA   THR   9           HA       THR   9  15.200  28.089  28.089
    5    HB   THR   9           HB       THR   9  15.184  29.817  29.817
    6    HG1  THR   9           HG1      THR   9  14.945  31.691  31.691
    7   1HG2  THR   9          HG21      THR   9  17.072  28.891  28.891
    8   2HG2  THR   9          HG23      THR   9  17.551  30.295  30.295
    9   3HG2  THR   9          HG22      THR   9  17.198  28.764  28.764
   10    H    PHE  10           HN       PHE  10  14.627  26.453  26.453
   11    HA   PHE  10           HA       PHE  10  11.944  26.596  26.596
   12   1HB   PHE  10           HB2      PHE  10  13.877  24.429  24.429
   13   2HB   PHE  10           HB1      PHE  10  12.771  24.132  24.132
   14    HD1  PHE  10           HD2      PHE  10  12.116  26.208  26.208
   15    HD2  PHE  10           HD1      PHE  10  11.249  22.568  22.568
   16    HE1  PHE  10           HE2      PHE  10  10.307  25.742  25.742
   17    HE2  PHE  10           HE1      PHE  10   9.442  22.107  22.107
   18    HZ   PHE  10           HZ       PHE  10   8.970  23.692  23.692
   19    H    VAL  11           HN       VAL  11  11.715  25.780  25.780
   20    HA   VAL  11           HA       VAL  11  14.086  26.563  26.563
   21    HB   VAL  11           HB       VAL  11  11.146  27.120  27.120
   22   1HG1  VAL  11          HG11      VAL  11  12.400  26.354  26.354
   23   2HG1  VAL  11          HG13      VAL  11  13.483  27.727  27.727
   24   3HG1  VAL  11          HG12      VAL  11  11.773  27.999  27.999
   25   1HG2  VAL  11          HG22      VAL  11  12.965  28.573  28.573
   26   2HG2  VAL  11          HG21      VAL  11  11.622  29.291  29.291
   27   3HG2  VAL  11          HG23      VAL  11  13.225  29.220  29.220
   28    H    ALA  12           HN       ALA  12  14.672  25.084  25.084
   29    HA   ALA  12           HA       ALA  12  13.306  22.504  22.504
   30   1HB   ALA  12           HB1      ALA  12  15.756  23.641  23.641
   31   2HB   ALA  12           HB3      ALA  12  15.079  22.120  22.120
   32   3HB   ALA  12           HB2      ALA  12  15.617  22.262  22.262
   33    H    LEU  13           HN       LEU  13  11.413  22.369  22.369
   34    HA   LEU  13           HA       LEU  13  10.824  24.045  24.045
   35   1HB   LEU  13           HB2      LEU  13   9.391  21.553  21.553
   36   2HB   LEU  13           HB1      LEU  13   8.747  22.779  22.779
   37    HG   LEU  13           HG       LEU  13   9.596  23.269  23.269
   38   1HD1  LEU  13          HD11      LEU  13   7.053  22.470  22.470
   39   2HD1  LEU  13          HD13      LEU  13   6.926  23.810  23.810
   40   3HD1  LEU  13          HD12      LEU  13   7.583  22.261  22.261
   41   1HD2  LEU  13          HD21      LEU  13   8.427  25.021  25.021
   42   2HD2  LEU  13          HD23      LEU  13   9.898  25.288  25.288
   43   3HD2  LEU  13          HD22      LEU  13   8.320  25.446  25.446
   44    H    TYR  14           HN       TYR  14  11.160  20.491  20.491
   45    HA   TYR  14           HA       TYR  14  11.775  20.372  20.372
   46   1HB   TYR  14           HB2      TYR  14  11.461  17.964  17.964
   47   2HB   TYR  14           HB1      TYR  14  11.153  18.103  18.103
   48    HD1  TYR  14           HD2      TYR  14   9.708  20.941  20.941
   49    HD2  TYR  14           HD1      TYR  14   9.156  16.958  16.958
   50    HE1  TYR  14           HE2      TYR  14   7.378  21.458  21.458
   51    HE2  TYR  14           HE1      TYR  14   6.815  17.465  17.465
   52    HH   TYR  14           HH       TYR  14   5.329  20.479  20.479
   53    H    ASP  15           HN       ASP  15  13.767  19.657  19.657
   54    HA   ASP  15           HA       ASP  15  16.051  19.975  19.975
   55   1HB   ASP  15           HB2      ASP  15  17.183  18.684  18.684
   56   2HB   ASP  15           HB1      ASP  15  16.444  20.244  20.244
   57    H    TYR  16           HN       TYR  16  16.501  18.653  18.653
   58    HA   TYR  16           HA       TYR  16  15.687  15.834  15.834
   59   1HB   TYR  16           HB2      TYR  16  15.502  16.896  16.896
   60   2HB   TYR  16           HB1      TYR  16  17.106  17.616  17.616
   61    HD1  TYR  16           HD1      TYR  16  16.083  14.100  14.100
   62    HD2  TYR  16           HD2      TYR  16  18.283  16.687  16.687
   63    HE1  TYR  16           HE1      TYR  16  17.055  12.154  12.154
   64    HE2  TYR  16           HE2      TYR  16  19.256  14.741  14.741
   65    HH   TYR  16           HH       TYR  16  18.372  11.432  11.432
   66    H    GLU  17           HN       GLU  17  16.929  14.364  14.364
   67    HA   GLU  17           HA       GLU  17  19.841  14.899  14.899
   68   1HB   GLU  17           HB2      GLU  17  18.776  14.392  14.392
   69   2HB   GLU  17           HB1      GLU  17  17.929  13.010  13.010
   70   1HG   GLU  17           HG2      GLU  17  20.176  11.953  11.953
   71   2HG   GLU  17           HG1      GLU  17  20.913  13.277  13.277
   72    H    SER  18           HN       SER  18  20.856  14.142  14.142
   73    HA   SER  18           HA       SER  18  19.961  11.748  11.748
   74   1HB   SER  18           HB2      SER  18  22.179  13.719  13.719
   75   2HB   SER  18           HB1      SER  18  22.412  12.130  12.130
   76    HG   SER  18           HG       SER  18  20.825  14.172  14.172
   77    H    ARG  19           HN       ARG  19  21.069   9.723   9.723
   78    HA   ARG  19           HA       ARG  19  22.633   9.160   9.160
   79   1HB   ARG  19           HB2      ARG  19  20.635   7.734   7.734
   80   2HB   ARG  19           HB1      ARG  19  22.124   6.791   6.791
   81   1HG   ARG  19           HG2      ARG  19  21.377   8.004   8.004
   82   2HG   ARG  19           HG1      ARG  19  20.392   6.651   6.651
   83   1HD   ARG  19           HD2      ARG  19  22.237   5.179   5.179
   84   2HD   ARG  19           HD1      ARG  19  23.405   6.499   6.499
   85    HE   ARG  19           HE       ARG  19  23.221   6.562   6.562
   86   1HH1  ARG  19          HH21      ARG  19  20.628   4.810   4.810
   87   2HH1  ARG  19          HH22      ARG  19  19.992   4.240   4.240
   88   1HH2  ARG  19          HH11      ARG  19  22.399   5.823   5.823
   89   2HH2  ARG  19          HH12      ARG  19  20.992   4.813   4.813
   90    H    THR  20           HN       THR  20  23.053   9.652   9.652
   91    HA   THR  20           HA       THR  20  25.732   8.325   8.325
   92    HB   THR  20           HB       THR  20  24.230   7.311   7.311
   93    HG1  THR  20           HG1      THR  20  26.384   7.352   7.352
   94   1HG2  THR  20          HG22      THR  20  23.970  10.184  10.184
   95   2HG2  THR  20          HG21      THR  20  23.835   8.925   8.925
   96   3HG2  THR  20          HG23      THR  20  22.721   8.945   8.945
   97    H    GLU  21           HN       GLU  21  27.262   9.471   9.471
   98    HA   GLU  21           HA       GLU  21  27.303  12.311  12.311
   99   1HB   GLU  21           HB2      GLU  21  29.489  12.212  12.212
  100   2HB   GLU  21           HB1      GLU  21  29.431  11.281  11.281
  101   1HG   GLU  21           HG2      GLU  21  29.109   9.236   9.236
  102   2HG   GLU  21           HG1      GLU  21  28.693  10.068  10.068
  103    H    THR  22           HN       THR  22  26.329  10.386  10.386
  104    HA   THR  22           HA       THR  22  26.753  12.156  12.156
  105    HB   THR  22           HB       THR  22  24.272  10.461  10.461
  106    HG1  THR  22           HG1      THR  22  26.688   9.631   9.631
  107   1HG2  THR  22          HG23      THR  22  24.383  12.050  12.050
  108   2HG2  THR  22          HG22      THR  22  25.822  11.195  11.195
  109   3HG2  THR  22          HG21      THR  22  24.274  10.355  10.355
  110    H    ASP  23           HN       ASP  23  23.562  11.747  11.747
  111    HA   ASP  23           HA       ASP  23  22.741  14.412  14.412
  112   1HB   ASP  23           HB2      ASP  23  21.316  12.841  12.841
  113   2HB   ASP  23           HB1      ASP  23  20.640  13.843  13.843
  114    H    LEU  24           HN       LEU  24  23.092  16.277  16.277
  115    HA   LEU  24           HA       LEU  24  24.494  16.162  16.162
  116   1HB   LEU  24           HB2      LEU  24  23.329  18.724  18.724
  117   2HB   LEU  24           HB1      LEU  24  24.905  18.418  18.418
  118    HG   LEU  24           HG       LEU  24  24.025  17.764  17.764
  119   1HD1  LEU  24          HD12      LEU  24  25.889  19.727  19.727
  120   2HD1  LEU  24          HD11      LEU  24  26.249  19.139  19.139
  121   3HD1  LEU  24          HD13      LEU  24  24.732  19.981  19.981
  122   1HD2  LEU  24          HD21      LEU  24  25.480  15.998  15.998
  123   2HD2  LEU  24          HD23      LEU  24  26.022  16.565  16.565
  124   3HD2  LEU  24          HD22      LEU  24  26.759  17.206  17.206
  125    H    SER  25           HN       SER  25  23.673  17.247  17.247
  126    HA   SER  25           HA       SER  25  20.738  16.829  16.829
  127   1HB   SER  25           HB2      SER  25  21.989  17.409  17.409
  128   2HB   SER  25           HB1      SER  25  21.301  15.880  15.880
  129    HG   SER  25           HG       SER  25  23.418  15.478  15.478
  130    H    PHE  26           HN       PHE  26  19.411  18.516  18.516
  131    HA   PHE  26           HA       PHE  26  20.763  21.149  21.149
  132   1HB   PHE  26           HB2      PHE  26  18.889  22.226  22.226
  133   2HB   PHE  26           HB1      PHE  26  19.897  21.191  21.191
  134    HD1  PHE  26           HD1      PHE  26  16.752  21.237  21.237
  135    HD2  PHE  26           HD2      PHE  26  18.894  19.399  19.399
  136    HE1  PHE  26           HE1      PHE  26  14.735  19.971  19.971
  137    HE2  PHE  26           HE2      PHE  26  16.877  18.143  18.143
  138    HZ   PHE  26           HZ       PHE  26  14.798  18.425  18.425
  139    H    LYS  27           HN       LYS  27  19.843  22.441  22.441
  140    HA   LYS  27           HA       LYS  27  17.874  21.104  21.104
  141   1HB   LYS  27           HB2      LYS  27  19.254  23.774  23.774
  142   2HB   LYS  27           HB1      LYS  27  18.436  22.808  22.808
  143   1HG   LYS  27           HG2      LYS  27  20.164  20.954  20.954
  144   2HG   LYS  27           HG1      LYS  27  21.093  22.364  22.364
  145   1HD   LYS  27           HD2      LYS  27  21.543  22.986  22.986
  146   2HD   LYS  27           HD1      LYS  27  19.918  22.586  22.586
  147   1HE   LYS  27           HE2      LYS  27  20.526  20.169  20.169
  148   2HE   LYS  27           HE1      LYS  27  22.169  20.621  20.621
  149   1HZ   LYS  27           HZ2      LYS  27  21.890  22.134  22.134
  150   2HZ   LYS  27           HZ1      LYS  27  20.807  20.901  20.901
  151   3HZ   LYS  27           HZ3      LYS  27  22.429  20.527  20.527
  152    H    LYS  28           HN       LYS  28  16.450  23.140  23.140
  153    HA   LYS  28           HA       LYS  28  14.609  23.820  23.820
  154   1HB   LYS  28           HB2      LYS  28  13.661  23.193  23.193
  155   2HB   LYS  28           HB1      LYS  28  14.591  24.443  24.443
  156   1HG   LYS  28           HG2      LYS  28  13.279  26.170  26.170
  157   2HG   LYS  28           HG1      LYS  28  12.755  25.218  25.218
  158   1HD   LYS  28           HD2      LYS  28  11.153  24.057  24.057
  159   2HD   LYS  28           HD1      LYS  28  11.989  24.327  24.327
  160   1HE   LYS  28           HE2      LYS  28  11.321  26.879  26.879
  161   2HE   LYS  28           HE1      LYS  28   9.876  25.871  25.871
  162   1HZ   LYS  28           HZ3      LYS  28  11.109  25.400  25.400
  163   2HZ   LYS  28           HZ2      LYS  28  11.080  27.084  27.084
  164   3HZ   LYS  28           HZ1      LYS  28   9.635  26.195  26.195
  165    H    GLY  29           HN       GLY  29  15.435  25.419  25.419
  166   1HA   GLY  29           HA2      GLY  29  15.225  28.038  28.038
  167   2HA   GLY  29           HA1      GLY  29  16.605  27.838  27.838
  168    H    GLU  30           HN       GLU  30  17.542  25.523  25.523
  169    HA   GLU  30           HA       GLU  30  19.279  27.069  27.069
  170   1HB   GLU  30           HB2      GLU  30  20.073  24.963  24.963
  171   2HB   GLU  30           HB1      GLU  30  18.724  24.094  24.094
  172   1HG   GLU  30           HG2      GLU  30  19.746  24.002  24.002
  173   2HG   GLU  30           HG1      GLU  30  20.242  25.693  25.693
  174    H    ARG  31           HN       ARG  31  19.109  27.477  27.477
  175    HA   ARG  31           HA       ARG  31  16.546  26.636  26.636
  176   1HB   ARG  31           HB2      ARG  31  18.399  28.912  28.912
  177   2HB   ARG  31           HB1      ARG  31  16.811  28.575  28.575
  178   1HG   ARG  31           HG2      ARG  31  15.732  29.544  29.544
  179   2HG   ARG  31           HG1      ARG  31  16.779  28.769  28.769
  180   1HD   ARG  31           HD2      ARG  31  16.915  31.331  31.331
  181   2HD   ARG  31           HD1      ARG  31  18.445  30.455  30.455
  182    HE   ARG  31           HE       ARG  31  17.629  30.734  30.734
  183   1HH1  ARG  31          HH21      ARG  31  18.358  32.741  32.741
  184   2HH1  ARG  31          HH22      ARG  31  18.931  34.059  34.059
  185   1HH2  ARG  31          HH11      ARG  31  18.376  32.447  32.447
  186   2HH2  ARG  31          HH12      ARG  31  18.941  33.893  33.893
  187    H    LEU  32           HN       LEU  32  16.623  25.846  25.846
  188    HA   LEU  32           HA       LEU  32  19.299  25.288  25.288
  189   1HB   LEU  32           HB2      LEU  32  17.252  23.112  23.112
  190   2HB   LEU  32           HB1      LEU  32  18.803  22.901  22.901
  191    HG   LEU  32           HG       LEU  32  19.693  24.048  24.048
  192   1HD1  LEU  32          HD13      LEU  32  16.945  23.590  23.590
  193   2HD1  LEU  32          HD12      LEU  32  17.853  22.405  22.405
  194   3HD1  LEU  32          HD11      LEU  32  18.189  24.126  24.126
  195   1HD2  LEU  32          HD23      LEU  32  19.560  21.435  21.435
  196   2HD2  LEU  32          HD22      LEU  32  20.678  22.028  22.028
  197   3HD2  LEU  32          HD21      LEU  32  19.155  21.282  21.282
  198    H    GLN  33           HN       GLN  33  19.244  25.221  25.221
  199    HA   GLN  33           HA       GLN  33  16.766  26.126  26.126
  200   1HB   GLN  33           HB2      GLN  33  19.500  25.454  25.454
  201   2HB   GLN  33           HB1      GLN  33  18.167  26.091  26.091
  202   1HG   GLN  33           HG2      GLN  33  18.066  28.067  28.067
  203   2HG   GLN  33           HG1      GLN  33  19.479  27.445  27.445
  204   1HE2  GLN  33          HE22      GLN  33  19.982  29.463  29.463
  205   2HE2  GLN  33          HE21      GLN  33  18.469  29.326  29.326
  206    H    ILE  34           HN       ILE  34  15.278  24.805  24.805
  207    HA   ILE  34           HA       ILE  34  15.594  21.933  21.933
  208    HB   ILE  34           HB       ILE  34  13.543  23.596  23.596
  209   1HG1  ILE  34          HG12      ILE  34  13.465  24.179  24.179
  210   2HG1  ILE  34          HG11      ILE  34  12.136  23.060  23.060
  211   1HG2  ILE  34          HG23      ILE  34  13.908  21.067  21.067
  212   2HG2  ILE  34          HG22      ILE  34  13.193  20.798  20.798
  213   3HG2  ILE  34          HG21      ILE  34  12.268  21.623  21.623
  214   1HD1  ILE  34          HD11      ILE  34  14.182  21.334  21.334
  215   2HD1  ILE  34          HD13      ILE  34  14.554  22.705  22.705
  216   3HD1  ILE  34          HD12      ILE  34  12.986  21.907  21.907
  217    H    VAL  35           HN       VAL  35  16.222  20.543  20.543
  218    HA   VAL  35           HA       VAL  35  17.291  21.814  21.814
  219    HB   VAL  35           HB       VAL  35  17.705  19.076  19.076
  220   1HG1  VAL  35          HG13      VAL  35  18.424  20.210  20.210
  221   2HG1  VAL  35          HG12      VAL  35  19.547  19.099  19.099
  222   3HG1  VAL  35          HG11      VAL  35  17.904  18.577  18.577
  223   1HG2  VAL  35          HG22      VAL  35  18.841  21.385  21.385
  224   2HG2  VAL  35          HG21      VAL  35  19.742  19.869  19.869
  225   3HG2  VAL  35          HG23      VAL  35  19.896  21.010  21.010
  226    H    ASN  36           HN       ASN  36  15.379  18.944  18.944
  227    HA   ASN  36           HA       ASN  36  13.548  19.401  19.401
  228   1HB   ASN  36           HB2      ASN  36  15.747  18.074  18.074
  229   2HB   ASN  36           HB1      ASN  36  14.848  16.715  16.715
  230   1HD2  ASN  36          HD22      ASN  36  12.849  16.462  16.462
  231   2HD2  ASN  36          HD21      ASN  36  13.583  15.694  15.694
  232    H    ASN  37           HN       ASN  37  12.657  16.629  16.629
  233    HA   ASN  37           HA       ASN  37  11.199  15.221  15.221
  234   1HB   ASN  37           HB2      ASN  37  12.883  16.198  16.198
  235   2HB   ASN  37           HB1      ASN  37  11.695  14.900  14.900
  236   1HD2  ASN  37          HD22      ASN  37  13.989  12.515  12.515
  237   2HD2  ASN  37          HD21      ASN  37  12.602  12.862  12.862
  238    H    THR  38           HN       THR  38   9.300  16.425  16.425
  239    HA   THR  38           HA       THR  38   8.613  18.637  18.637
  240    HB   THR  38           HB       THR  38   8.057  18.796  18.796
  241    HG1  THR  38           HG1      THR  38   5.693  19.104  19.104
  242   1HG2  THR  38          HG23      THR  38   7.147  16.127  16.127
  243   2HG2  THR  38          HG22      THR  38   5.766  17.094  17.094
  244   3HG2  THR  38          HG21      THR  38   7.214  17.012  17.012
  245    H    GLU  39           HN       GLU  39   8.110  15.244  15.244
  246    HA   GLU  39           HA       GLU  39   6.272  15.357  15.357
  247   1HB   GLU  39           HB2      GLU  39   5.488  14.618  14.618
  248   2HB   GLU  39           HB1      GLU  39   5.483  13.161  13.161
  249   1HG   GLU  39           HG2      GLU  39   3.699  13.865  13.865
  250   2HG   GLU  39           HG1      GLU  39   4.347  15.498  15.498
  251    H    GLY  40           HN       GLY  40   5.873  12.510  12.510
  252   1HA   GLY  40           HA2      GLY  40   7.064  10.470  10.470
  253   2HA   GLY  40           HA1      GLY  40   8.572  11.318  11.318
  254    H    ASP  41           HN       ASP  41   9.820  11.237  11.237
  255    HA   ASP  41           HA       ASP  41   8.816  12.413  12.413
  256   1HB   ASP  41           HB2      ASP  41   8.692   9.557   9.557
  257   2HB   ASP  41           HB1      ASP  41   9.851   9.940   9.940
  258    H    TRP  42           HN       TRP  42  11.114  12.505  12.505
  259    HA   TRP  42           HA       TRP  42  13.191  13.060  13.060
  260   1HB   TRP  42           HB2      TRP  42  13.330  10.655  10.655
  261   2HB   TRP  42           HB1      TRP  42  14.814  11.509  11.509
  262    HD1  TRP  42           HD1      TRP  42  12.352   9.007   9.007
  263    HE1  TRP  42           HE1      TRP  42  12.974   8.596   8.596
  264    HE3  TRP  42           HE3      TRP  42  15.632  12.668  12.668
  265    HZ2  TRP  42           HZ2      TRP  42  14.757   9.763   9.763
  266    HZ3  TRP  42           HZ3      TRP  42  16.807  13.064  13.064
  267    HH2  TRP  42           HH2      TRP  42  16.372  11.610  11.610
  268    H    TRP  43           HN       TRP  43  13.689  15.061  15.061
  269    HA   TRP  43           HA       TRP  43  14.126  15.370  15.370
  270   1HB   TRP  43           HB2      TRP  43  13.688  17.589  17.589
  271   2HB   TRP  43           HB1      TRP  43  13.612  17.700  17.700
  272    HD1  TRP  43           HD1      TRP  43  11.872  14.763  14.763
  273    HE1  TRP  43           HE1      TRP  43   9.403  15.100  15.100
  274    HE3  TRP  43           HE3      TRP  43  12.070  19.183  19.183
  275    HZ2  TRP  43           HZ2      TRP  43   7.641  17.103  17.103
  276    HZ3  TRP  43           HZ3      TRP  43  10.068  20.320  20.320
  277    HH2  TRP  43           HH2      TRP  43   7.853  19.284  19.284
  278    H    LEU  44           HN       LEU  44  15.929  16.875  16.875
  279    HA   LEU  44           HA       LEU  44  18.161  16.658  16.658
  280   1HB   LEU  44           HB2      LEU  44  18.597  15.339  15.339
  281   2HB   LEU  44           HB1      LEU  44  18.241  16.730  16.730
  282    HG   LEU  44           HG       LEU  44  20.123  17.900  17.900
  283   1HD1  LEU  44          HD13      LEU  44  20.121  15.550  15.550
  284   2HD1  LEU  44          HD12      LEU  44  21.354  15.204  15.204
  285   3HD1  LEU  44          HD11      LEU  44  21.542  16.584  16.584
  286   1HD2  LEU  44          HD22      LEU  44  20.046  16.937  16.937
  287   2HD2  LEU  44          HD21      LEU  44  21.554  17.519  17.519
  288   3HD2  LEU  44          HD23      LEU  44  21.208  15.790  15.790
  289    H    ALA  45           HN       ALA  45  18.801  18.597  18.597
  290    HA   ALA  45           HA       ALA  45  18.308  21.027  21.027
  291   1HB   ALA  45           HB2      ALA  45  16.866  20.823  20.823
  292   2HB   ALA  45           HB1      ALA  45  18.343  20.928  20.928
  293   3HB   ALA  45           HB3      ALA  45  17.856  22.281  22.281
  294    H    HIS  46           HN       HIS  46  19.876  22.770  22.770
  295    HA   HIS  46           HA       HIS  46  22.550  21.721  21.721
  296   1HB   HIS  46           HB2      HIS  46  22.875  22.236  22.236
  297   2HB   HIS  46           HB1      HIS  46  21.623  23.472  23.472
  298    HD1  HIS  46           HD1      HIS  46  25.179  23.152  23.152
  299    HD2  HIS  46           HD2      HIS  46  22.467  25.958  25.958
  300    HE1  HIS  46           HE1      HIS  46  26.472  25.185  25.185
  301    H    SER  47           HN       SER  47  23.206  22.557  22.557
  302    HA   SER  47           HA       SER  47  21.929  24.702  24.702
  303   1HB   SER  47           HB2      SER  47  24.724  23.566  23.566
  304   2HB   SER  47           HB1      SER  47  23.992  24.706  24.706
  305    HG   SER  47           HG       SER  47  22.366  23.205  23.205
  306    H    LEU  48           HN       LEU  48  22.674  26.884  26.884
  307    HA   LEU  48           HA       LEU  48  24.225  27.956  27.956
  308   1HB   LEU  48           HB2      LEU  48  22.432  29.401  29.401
  309   2HB   LEU  48           HB1      LEU  48  23.199  30.120  30.120
  310    HG   LEU  48           HG       LEU  48  21.263  27.788  27.788
  311   1HD1  LEU  48          HD11      LEU  48  20.492  30.239  30.239
  312   2HD1  LEU  48          HD13      LEU  48  20.587  30.518  30.518
  313   3HD1  LEU  48          HD12      LEU  48  19.523  29.263  29.263
  314   1HD2  LEU  48          HD22      LEU  48  23.140  28.733  28.733
  315   2HD2  LEU  48          HD21      LEU  48  21.768  27.681  27.681
  316   3HD2  LEU  48          HD23      LEU  48  21.610  29.427  29.427
  317    H    THR  49           HN       THR  49  25.173  26.752  26.752
  318    HA   THR  49           HA       THR  49  26.683  29.107  29.107
  319    HB   THR  49           HB       THR  49  27.236  26.670  26.670
  320    HG1  THR  49           HG1      THR  49  25.259  25.945  25.945
  321   1HG2  THR  49          HG23      THR  49  26.207  29.405  29.405
  322   2HG2  THR  49          HG22      THR  49  25.727  28.196  28.196
  323   3HG2  THR  49          HG21      THR  49  27.437  28.496  28.496
  324    H    THR  50           HN       THR  50  27.660  25.687  25.687
  325    HA   THR  50           HA       THR  50  30.326  26.491  26.491
  326    HB   THR  50           HB       THR  50  30.821  24.052  24.052
  327    HG1  THR  50           HG1      THR  50  28.435  23.659  23.659
  328   1HG2  THR  50          HG23      THR  50  29.374  25.317  25.317
  329   2HG2  THR  50          HG22      THR  50  30.374  23.869  23.869
  330   3HG2  THR  50          HG21      THR  50  31.100  25.405  25.405
  331    H    GLY  51           HN       GLY  51  27.384  25.672  25.672
  332   1HA   GLY  51           HA2      GLY  51  26.874  25.479  25.479
  333   2HA   GLY  51           HA1      GLY  51  28.583  25.734  25.734
  334    H    GLN  52           HN       GLN  52  26.900  23.211  23.211
  335    HA   GLN  52           HA       GLN  52  28.224  21.193  21.193
  336   1HB   GLN  52           HB2      GLN  52  27.596  21.090  21.090
  337   2HB   GLN  52           HB1      GLN  52  28.085  19.678  19.678
  338   1HG   GLN  52           HG2      GLN  52  29.842  21.966  21.966
  339   2HG   GLN  52           HG1      GLN  52  29.799  21.493  21.493
  340   1HE2  GLN  52          HE22      GLN  52  31.239  18.254  18.254
  341   2HE2  GLN  52          HE21      GLN  52  30.209  19.099  19.099
  342    H    THR  53           HN       THR  53  26.931  18.952  18.952
  343    HA   THR  53           HA       THR  53  24.148  19.563  19.563
  344    HB   THR  53           HB       THR  53  25.392  16.816  16.816
  345    HG1  THR  53           HG1      THR  53  25.448  18.298  18.298
  346   1HG2  THR  53          HG21      THR  53  22.924  17.968  17.968
  347   2HG2  THR  53          HG23      THR  53  23.788  17.179  17.179
  348   3HG2  THR  53          HG22      THR  53  23.378  16.268  16.268
  349    H    GLY  54           HN       GLY  54  22.350  18.365  18.365
  350   1HA   GLY  54           HA2      GLY  54  22.846  17.031  17.031
  351   2HA   GLY  54           HA1      GLY  54  22.115  18.626  18.626
  352    H    TYR  55           HN       TYR  55  21.621  15.367  15.367
  353    HA   TYR  55           HA       TYR  55  19.100  15.656  15.656
  354   1HB   TYR  55           HB2      TYR  55  20.359  13.404  13.404
  355   2HB   TYR  55           HB1      TYR  55  18.756  13.250  13.250
  356    HD1  TYR  55           HD1      TYR  55  18.479  13.406  13.406
  357    HD2  TYR  55           HD2      TYR  55  22.334  13.408  13.408
  358    HE1  TYR  55           HE1      TYR  55  19.492  12.896  12.896
  359    HE2  TYR  55           HE2      TYR  55  23.347  12.903  12.903
  360    HH   TYR  55           HH       TYR  55  22.705  11.882  11.882
  361    H    ILE  56           HN       ILE  56  17.672  17.036  17.036
  362    HA   ILE  56           HA       ILE  56  17.148  16.577  16.577
  363    HB   ILE  56           HB       ILE  56  15.717  18.561  18.561
  364   1HG1  ILE  56          HG12      ILE  56  16.102  19.599  19.599
  365   2HG1  ILE  56          HG11      ILE  56  15.872  17.883  17.883
  366   1HG2  ILE  56          HG22      ILE  56  18.520  18.475  18.475
  367   2HG2  ILE  56          HG21      ILE  56  17.701  19.892  19.892
  368   3HG2  ILE  56          HG23      ILE  56  17.703  19.602  19.602
  369   1HD1  ILE  56          HD12      ILE  56  14.018  19.563  19.563
  370   2HD1  ILE  56          HD11      ILE  56  13.723  19.160  19.160
  371   3HD1  ILE  56          HD13      ILE  56  13.771  17.883  17.883
  372    HA   PRO  57           HA       PRO  57  13.890  13.705  13.705
  373   1HB   PRO  57           HB2      PRO  57  12.679  14.319  14.319
  374   2HB   PRO  57           HB1      PRO  57  13.577  12.870  12.870
  375   1HG   PRO  57           HG2      PRO  57  14.456  14.983  14.983
  376   2HG   PRO  57           HG1      PRO  57  15.385  13.576  13.576
  377   1HD   PRO  57           HD1      PRO  57  15.709  16.334  16.334
  378   2HD   PRO  57           HD2      PRO  57  16.667  14.927  14.927
  379    H    SER  58           HN       SER  58  11.917  14.047  14.047
  380    HA   SER  58           HA       SER  58  10.856  16.560  16.560
  381   1HB   SER  58           HB2      SER  58   9.059  15.448  15.448
  382   2HB   SER  58           HB1      SER  58  10.132  14.065  14.065
  383    HG   SER  58           HG       SER  58   7.765  14.547  14.547
  384    H    ASN  59           HN       ASN  59  10.425  14.554  14.554
  385    HA   ASN  59           HA       ASN  59   8.544  16.531  16.531
  386   1HB   ASN  59           HB2      ASN  59   8.897  13.695  13.695
  387   2HB   ASN  59           HB1      ASN  59   9.160  14.429  14.429
  388   1HD2  ASN  59          HD22      ASN  59   5.435  14.522  14.522
  389   2HD2  ASN  59          HD21      ASN  59   6.770  14.003  14.003
  390    H    TYR  60           HN       TYR  60   9.144  17.824  17.824
  391    HA   TYR  60           HA       TYR  60  10.498  18.308  18.308
  392   1HB   TYR  60           HB2      TYR  60  12.774  17.274  17.274
  393   2HB   TYR  60           HB1      TYR  60  12.974  18.054  18.054
  394    HD1  TYR  60           HD1      TYR  60  10.104  16.602  16.602
  395    HD2  TYR  60           HD2      TYR  60  13.998  15.326  15.326
  396    HE1  TYR  60           HE1      TYR  60   9.739  14.471  14.471
  397    HE2  TYR  60           HE2      TYR  60  13.621  13.178  13.178
  398    HH   TYR  60           HH       TYR  60  11.374  12.666  12.666
  399    H    VAL  61           HN       VAL  61  10.130  19.244  19.244
  400    HA   VAL  61           HA       VAL  61  11.296  21.913  21.913
  401    HB   VAL  61           HB       VAL  61  12.978  21.063  21.063
  402   1HG1  VAL  61          HG12      VAL  61  10.889  19.309  19.309
  403   2HG1  VAL  61          HG11      VAL  61  11.584  20.076  20.076
  404   3HG1  VAL  61          HG13      VAL  61  12.619  19.178  19.178
  405   1HG2  VAL  61          HG21      VAL  61  12.086  23.212  23.212
  406   2HG2  VAL  61          HG23      VAL  61  12.690  22.216  22.216
  407   3HG2  VAL  61          HG22      VAL  61  10.956  22.338  22.338
  408    H    ALA  62           HN       ALA  62  10.386  23.559  23.559
  409    HA   ALA  62           HA       ALA  62   7.919  22.861  22.861
  410   1HB   ALA  62           HB3      ALA  62   7.796  24.513  24.513
  411   2HB   ALA  62           HB2      ALA  62   6.466  24.328  24.328
  412   3HB   ALA  62           HB1      ALA  62   7.063  22.929  22.929
  413    HA   PRO  63           HA       PRO  63   9.334  26.353  26.353
  414   1HB   PRO  63           HB2      PRO  63   6.712  26.880  26.880
  415   2HB   PRO  63           HB1      PRO  63   8.052  26.051  26.051
  416   1HG   PRO  63           HG2      PRO  63   5.616  24.892  24.892
  417   2HG   PRO  63           HG1      PRO  63   6.943  24.067  24.067
  418   1HD   PRO  63           HD1      PRO  63   6.273  23.969  23.969
  419   2HD   PRO  63           HD2      PRO  63   7.610  23.148  23.148
  420    H    SER  64           HN       SER  64   9.664  28.325  28.325
  421    HA   SER  64           HA       SER  64   7.429  30.048  30.048
  422   1HB   SER  64           HB2      SER  64   7.713  30.145  30.145
  423   2HB   SER  64           HB1      SER  64   7.697  28.423  28.423
  424    HG   SER  64           HG       SER  64   9.826  30.077  30.077
  425   1H    ALA  71           HT3      ALA  71   1.373  15.835  15.835
  426   2H    ALA  71           HT2      ALA  71   1.833  17.324  17.324
  427   3H    ALA  71           HT1      ALA  71   2.637  16.729  16.729
  428    HA   ALA  71           HA       ALA  71   4.023  16.395  16.395
  429   1HB   ALA  71           HB1      ALA  71   1.595  16.034  16.034
  430   2HB   ALA  71           HB3      ALA  71   2.291  14.414  14.414
  431   3HB   ALA  71           HB2      ALA  71   3.189  15.751  15.751
  432    H    PHE  72           HN       PHE  72   4.785  13.994  13.994
  433    HA   PHE  72           HA       PHE  72   5.588  11.936  11.936
  434   1HB   PHE  72           HB2      PHE  72   2.775  12.083  12.083
  435   2HB   PHE  72           HB1      PHE  72   3.742  11.056  11.056
  436    HD1  PHE  72           HD1      PHE  72   5.323   9.342   9.342
  437    HD2  PHE  72           HD2      PHE  72   2.026  11.225  11.225
  438    HE1  PHE  72           HE1      PHE  72   5.311   7.577   7.577
  439    HE2  PHE  72           HE2      PHE  72   2.018   9.458   9.458
  440    HZ   PHE  72           HZ       PHE  72   3.660   7.633   7.633
  441    H    ALA  73           HN       ALA  73   7.133  13.549  13.549
  442    HA   ALA  73           HA       ALA  73   6.888  14.307  14.307
  443   1HB   ALA  73           HB3      ALA  73   8.782  14.813  14.813
  444   2HB   ALA  73           HB2      ALA  73   9.494  13.300  13.300
  445   3HB   ALA  73           HB1      ALA  73   9.231  14.623  14.623
  446    HA   PRO  74           HA       PRO  74   6.685  10.417  10.417
  447   1HB   PRO  74           HB2      PRO  74   7.695  11.592  11.592
  448   2HB   PRO  74           HB1      PRO  74   6.020  11.194  11.194
  449   1HG   PRO  74           HG2      PRO  74   7.218  13.813  13.813
  450   2HG   PRO  74           HG1      PRO  74   5.546  13.414  13.414
  451   1HD   PRO  74           HD1      PRO  74   7.639  14.353  14.353
  452   2HD   PRO  74           HD2      PRO  74   5.951  13.989  13.989
  453    HA   PRO  75           HA       PRO  75  11.085   9.557   9.557
  454   1HB   PRO  75           HB2      PRO  75  10.461   6.767   6.767
  455   2HB   PRO  75           HB1      PRO  75  10.856   7.621   7.621
  456   1HG   PRO  75           HG2      PRO  75   8.282   6.616   6.616
  457   2HG   PRO  75           HG1      PRO  75   8.675   7.492   7.492
  458   1HD   PRO  75           HD1      PRO  75   7.218   8.458   8.458
  459   2HD   PRO  75           HD2      PRO  75   7.583   9.324   9.324
  460    H    LEU  76           HN       LEU  76  12.703   9.139   9.139
  461    HA   LEU  76           HA       LEU  76  12.291   9.363   9.363
  462   1HB   LEU  76           HB2      LEU  76  14.405   7.646   7.646
  463   2HB   LEU  76           HB1      LEU  76  14.473   8.238   8.238
  464    HG   LEU  76           HG       LEU  76  14.267  10.021  10.021
  465   1HD1  LEU  76          HD12      LEU  76  16.457   8.581   8.581
  466   2HD1  LEU  76          HD11      LEU  76  16.709   9.921   9.921
  467   3HD1  LEU  76          HD13      LEU  76  16.559  10.232  10.232
  468   1HD2  LEU  76          HD22      LEU  76  13.687  10.512  10.512
  469   2HD2  LEU  76          HD21      LEU  76  14.001  11.729  11.729
  470   3HD2  LEU  76          HD23      LEU  76  15.316  11.150  11.150
  471    HA   PRO  77           HA       PRO  77  10.140   5.483   5.483
  472   1HB   PRO  77           HB2      PRO  77   9.500   6.245   6.245
  473   2HB   PRO  77           HB1      PRO  77   8.479   6.462   6.462
  474   1HG   PRO  77           HG2      PRO  77   9.898   8.495   8.495
  475   2HG   PRO  77           HG1      PRO  77   8.752   8.724   8.724
  476   1HD   PRO  77           HD1      PRO  77  11.636   8.990   8.990
  477   2HD   PRO  77           HD2      PRO  77  10.480   9.279   9.279
  478    H    ARG  78           HN       ARG  78  12.936   5.363   5.363
  479    HA   ARG  78           HA       ARG  78  14.727   4.519   4.519
  480   1HB   ARG  78           HB2      ARG  78  13.374   2.550   2.550
  481   2HB   ARG  78           HB1      ARG  78  12.569   2.526   2.526
  482   1HG   ARG  78           HG2      ARG  78  14.419   1.719   1.719
  483   2HG   ARG  78           HG1      ARG  78  15.537   2.621   2.621
  484   1HD   ARG  78           HD2      ARG  78  15.624   0.966   0.966
  485   2HD   ARG  78           HD1      ARG  78  13.971   0.435   0.435
  486    HE   ARG  78           HE       ARG  78  14.824  -1.081  -1.081
  487   1HH1  ARG  78          HH21      ARG  78  17.100   1.402   1.402
  488   2HH1  ARG  78          HH22      ARG  78  18.383   0.686   0.686
  489   1HH2  ARG  78          HH11      ARG  78  16.491  -2.022  -2.022
  490   2HH2  ARG  78          HH12      ARG  78  18.040  -1.249  -1.249
  491    H    ARG  79           HN       ARG  79  14.086   6.567   6.567
  492    HA   ARG  79           HA       ARG  79  13.948   7.394   7.394
  493   1HB   ARG  79           HB2      ARG  79  14.821   4.555   4.555
  494   2HB   ARG  79           HB1      ARG  79  14.872   5.907   5.907
  495   1HG   ARG  79           HG2      ARG  79  16.312   5.868   5.868
  496   2HG   ARG  79           HG1      ARG  79  17.073   5.472   5.472
  497   1HD   ARG  79           HD2      ARG  79  16.210   7.766   7.766
  498   2HD   ARG  79           HD1      ARG  79  15.929   8.120   8.120
  499    HE   ARG  79           HE       ARG  79  18.614   7.140   7.140
  500   1HH1  ARG  79          HH21      ARG  79  16.514   9.861   9.861
  501   2HH1  ARG  79          HH22      ARG  79  17.792  11.024  11.024
  502   1HH2  ARG  79          HH11      ARG  79  20.286   8.649   8.649
  503   2HH2  ARG  79          HH12      ARG  79  19.923  10.340  10.340

  Start of MODEL    2
    1   1H    THR   9           HT1      THR   9  12.882  28.241  28.241
    2   2H    THR   9           HT3      THR   9  14.503  28.550  28.550
    3   3H    THR   9           HT2      THR   9  14.036  27.003  27.003
    4    HA   THR   9           HA       THR   9  15.158  28.143  28.143
    5    HB   THR   9           HB       THR   9  12.930  30.184  30.184
    6    HG1  THR   9           HG1      THR   9  14.194  31.153  31.153
    7   1HG2  THR   9          HG23      THR   9  14.404  29.487  29.487
    8   2HG2  THR   9          HG22      THR   9  15.376  30.789  30.789
    9   3HG2  THR   9          HG21      THR   9  13.687  31.076  31.076
   10    H    PHE  10           HN       PHE  10  14.585  26.453  26.453
   11    HA   PHE  10           HA       PHE  10  11.728  26.316  26.316
   12   1HB   PHE  10           HB2      PHE  10  13.763  24.218  24.218
   13   2HB   PHE  10           HB1      PHE  10  12.615  23.888  23.888
   14    HD1  PHE  10           HD1      PHE  10  12.159  25.813  25.813
   15    HD2  PHE  10           HD2      PHE  10  11.038  22.383  22.383
   16    HE1  PHE  10           HE1      PHE  10  10.429  25.282  25.282
   17    HE2  PHE  10           HE2      PHE  10   9.314  21.850  21.850
   18    HZ   PHE  10           HZ       PHE  10   9.006  23.300  23.300
   19    H    VAL  11           HN       VAL  11  11.433  25.606  25.606
   20    HA   VAL  11           HA       VAL  11  13.744  26.444  26.444
   21    HB   VAL  11           HB       VAL  11  10.781  26.795  26.795
   22   1HG1  VAL  11          HG11      VAL  11  13.270  27.572  27.572
   23   2HG1  VAL  11          HG13      VAL  11  11.654  28.172  28.172
   24   3HG1  VAL  11          HG12      VAL  11  12.011  26.451  26.451
   25   1HG2  VAL  11          HG23      VAL  11  11.832  28.285  28.285
   26   2HG2  VAL  11          HG22      VAL  11  11.131  29.134  29.134
   27   3HG2  VAL  11          HG21      VAL  11  12.878  28.919  28.919
   28    H    ALA  12           HN       ALA  12  14.330  25.014  25.014
   29    HA   ALA  12           HA       ALA  12  13.084  22.371  22.371
   30   1HB   ALA  12           HB1      ALA  12  15.520  23.609  23.609
   31   2HB   ALA  12           HB3      ALA  12  14.827  22.329  22.329
   32   3HB   ALA  12           HB2      ALA  12  15.283  21.997  21.997
   33    H    LEU  13           HN       LEU  13  11.453  21.747  21.747
   34    HA   LEU  13           HA       LEU  13  10.753  23.499  23.499
   35   1HB   LEU  13           HB2      LEU  13   9.025  21.328  21.328
   36   2HB   LEU  13           HB1      LEU  13   8.528  22.694  22.694
   37    HG   LEU  13           HG       LEU  13   9.895  23.211  23.211
   38   1HD1  LEU  13          HD13      LEU  13   7.400  21.793  21.793
   39   2HD1  LEU  13          HD12      LEU  13   7.105  23.366  23.366
   40   3HD1  LEU  13          HD11      LEU  13   8.235  22.237  22.237
   41   1HD2  LEU  13          HD22      LEU  13   8.861  24.792  24.792
   42   2HD2  LEU  13          HD21      LEU  13   9.216  25.334  25.334
   43   3HD2  LEU  13          HD23      LEU  13   7.585  24.813  24.813
   44    H    TYR  14           HN       TYR  14  12.183  20.494  20.494
   45    HA   TYR  14           HA       TYR  14  11.773  19.657  19.657
   46   1HB   TYR  14           HB2      TYR  14  11.791  17.871  17.871
   47   2HB   TYR  14           HB1      TYR  14  11.762  17.297  17.297
   48    HD1  TYR  14           HD2      TYR  14   9.989  19.801  19.801
   49    HD2  TYR  14           HD1      TYR  14   9.646  16.864  16.864
   50    HE1  TYR  14           HE2      TYR  14   7.588  20.240  20.240
   51    HE2  TYR  14           HE1      TYR  14   7.225  17.255  17.255
   52    HH   TYR  14           HH       TYR  14   5.692  19.475  19.475
   53    H    ASP  15           HN       ASP  15  13.567  18.535  18.535
   54    HA   ASP  15           HA       ASP  15  16.153  19.369  19.369
   55   1HB   ASP  15           HB2      ASP  15  15.587  17.588  17.588
   56   2HB   ASP  15           HB1      ASP  15  17.077  18.470  18.470
   57    H    TYR  16           HN       TYR  16  16.536  18.174  18.174
   58    HA   TYR  16           HA       TYR  16  16.232  15.256  15.256
   59   1HB   TYR  16           HB2      TYR  16  15.795  16.396  16.396
   60   2HB   TYR  16           HB1      TYR  16  17.362  17.201  17.201
   61    HD1  TYR  16           HD1      TYR  16  16.922  13.692  13.692
   62    HD2  TYR  16           HD2      TYR  16  18.147  16.274  16.274
   63    HE1  TYR  16           HE1      TYR  16  17.925  11.785  11.785
   64    HE2  TYR  16           HE2      TYR  16  19.131  14.366  14.366
   65    HH   TYR  16           HH       TYR  16  19.494  12.187  12.187
   66    H    GLU  17           HN       GLU  17  17.760  14.007  14.007
   67    HA   GLU  17           HA       GLU  17  20.524  15.075  15.075
   68   1HB   GLU  17           HB2      GLU  17  18.837  13.558  13.558
   69   2HB   GLU  17           HB1      GLU  17  20.197  12.526  12.526
   70   1HG   GLU  17           HG2      GLU  17  21.764  13.951  13.951
   71   2HG   GLU  17           HG1      GLU  17  20.739  15.373  15.373
   72    H    SER  18           HN       SER  18  21.218  14.669  14.669
   73    HA   SER  18           HA       SER  18  20.912  12.237  12.237
   74   1HB   SER  18           HB2      SER  18  22.140  13.323  13.323
   75   2HB   SER  18           HB1      SER  18  22.210  14.674  14.674
   76    HG   SER  18           HG       SER  18  24.231  14.268  14.268
   77    H    ARG  19           HN       ARG  19  23.320  11.145  11.145
   78    HA   ARG  19           HA       ARG  19  24.496  10.318  10.318
   79   1HB   ARG  19           HB2      ARG  19  24.135   8.299   8.299
   80   2HB   ARG  19           HB1      ARG  19  24.240   8.048   8.048
   81   1HG   ARG  19           HG2      ARG  19  22.005   9.345   9.345
   82   2HG   ARG  19           HG1      ARG  19  21.896   9.056   9.056
   83   1HD   ARG  19           HD2      ARG  19  21.858   7.067   7.067
   84   2HD   ARG  19           HD1      ARG  19  20.775   7.194   7.194
   85    HE   ARG  19           HE       ARG  19  23.329   5.782   5.782
   86   1HH1  ARG  19          HH21      ARG  19  20.984   7.470   7.470
   87   2HH1  ARG  19          HH22      ARG  19  21.424   6.682   6.682
   88   1HH2  ARG  19          HH11      ARG  19  23.907   4.747   4.747
   89   2HH2  ARG  19          HH12      ARG  19  23.075   5.143   5.143
   90    H    THR  20           HN       THR  20  24.863  10.590  10.590
   91    HA   THR  20           HA       THR  20  27.819  10.665  10.665
   92    HB   THR  20           HB       THR  20  27.144   8.502   8.502
   93    HG1  THR  20           HG1      THR  20  29.120   9.200   9.200
   94   1HG2  THR  20          HG22      THR  20  25.821  10.398  10.398
   95   2HG2  THR  20          HG21      THR  20  26.413   8.847   8.847
   96   3HG2  THR  20          HG23      THR  20  25.203   8.897   8.897
   97    H    GLU  21           HN       GLU  21  28.835  11.602  11.602
   98    HA   GLU  21           HA       GLU  21  27.894  14.279  14.279
   99   1HB   GLU  21           HB2      GLU  21  29.559  14.471  14.471
  100   2HB   GLU  21           HB1      GLU  21  30.234  13.537  13.537
  101   1HG   GLU  21           HG2      GLU  21  28.805  11.963  11.963
  102   2HG   GLU  21           HG1      GLU  21  30.302  12.726  12.726
  103    H    THR  22           HN       THR  22  27.026  11.332  11.332
  104    HA   THR  22           HA       THR  22  26.085  12.197  12.197
  105    HB   THR  22           HB       THR  22  24.651  10.298  10.298
  106    HG1  THR  22           HG1      THR  22  26.803  10.017  10.017
  107   1HG2  THR  22          HG22      THR  22  24.357  11.024  11.024
  108   2HG2  THR  22          HG21      THR  22  24.166   9.325   9.325
  109   3HG2  THR  22          HG23      THR  22  23.126  10.546  10.546
  110    H    ASP  23           HN       ASP  23  24.005  11.980  11.980
  111    HA   ASP  23           HA       ASP  23  22.222  14.014  14.014
  112   1HB   ASP  23           HB2      ASP  23  21.776  12.689  12.689
  113   2HB   ASP  23           HB1      ASP  23  20.580  13.299  13.299
  114    H    LEU  24           HN       LEU  24  22.014  16.080  16.080
  115    HA   LEU  24           HA       LEU  24  24.043  16.907  16.907
  116   1HB   LEU  24           HB2      LEU  24  22.339  18.272  18.272
  117   2HB   LEU  24           HB1      LEU  24  22.789  19.207  19.207
  118    HG   LEU  24           HG       LEU  24  24.734  17.724  17.724
  119   1HD1  LEU  24          HD12      LEU  24  23.647  20.488  20.488
  120   2HD1  LEU  24          HD11      LEU  24  25.391  20.343  20.343
  121   3HD1  LEU  24          HD13      LEU  24  24.295  19.538  19.538
  122   1HD2  LEU  24          HD22      LEU  24  25.010  19.379  19.379
  123   2HD2  LEU  24          HD21      LEU  24  25.728  17.812  17.812
  124   3HD2  LEU  24          HD23      LEU  24  26.339  19.270  19.270
  125    H    SER  25           HN       SER  25  23.528  17.072  17.072
  126    HA   SER  25           HA       SER  25  20.765  16.790  16.790
  127   1HB   SER  25           HB2      SER  25  22.878  17.651  17.651
  128   2HB   SER  25           HB1      SER  25  21.671  16.380  16.380
  129    HG   SER  25           HG       SER  25  24.101  15.937  15.937
  130    H    PHE  26           HN       PHE  26  19.540  18.393  18.393
  131    HA   PHE  26           HA       PHE  26  20.637  21.115  21.115
  132   1HB   PHE  26           HB2      PHE  26  18.726  22.077  22.077
  133   2HB   PHE  26           HB1      PHE  26  19.891  21.176  21.176
  134    HD1  PHE  26           HD2      PHE  26  16.547  21.045  21.045
  135    HD2  PHE  26           HD1      PHE  26  19.248  19.107  19.107
  136    HE1  PHE  26           HE2      PHE  26  14.729  19.591  19.591
  137    HE2  PHE  26           HE1      PHE  26  17.430  17.659  17.659
  138    HZ   PHE  26           HZ       PHE  26  15.168  17.894  17.894
  139    H    LYS  27           HN       LYS  27  19.355  22.423  22.423
  140    HA   LYS  27           HA       LYS  27  17.288  20.858  20.858
  141   1HB   LYS  27           HB2      LYS  27  18.184  23.236  23.236
  142   2HB   LYS  27           HB1      LYS  27  18.242  21.554  21.554
  143   1HG   LYS  27           HG2      LYS  27  20.336  21.223  21.223
  144   2HG   LYS  27           HG1      LYS  27  20.271  22.892  22.892
  145   1HD   LYS  27           HD2      LYS  27  19.979  22.803  22.803
  146   2HD   LYS  27           HD1      LYS  27  21.444  21.952  21.952
  147   1HE   LYS  27           HE2      LYS  27  21.578  24.149  24.149
  148   2HE   LYS  27           HE1      LYS  27  20.779  24.830  24.830
  149   1HZ   LYS  27           HZ2      LYS  27  23.075  23.086  23.086
  150   2HZ   LYS  27           HZ1      LYS  27  23.388  24.635  24.635
  151   3HZ   LYS  27           HZ3      LYS  27  22.571  24.463  24.463
  152    H    LYS  28           HN       LYS  28  15.407  22.063  22.063
  153    HA   LYS  28           HA       LYS  28  14.107  23.601  23.601
  154   1HB   LYS  28           HB2      LYS  28  12.789  22.693  22.693
  155   2HB   LYS  28           HB1      LYS  28  13.759  23.493  23.493
  156   1HG   LYS  28           HG2      LYS  28  12.982  25.699  25.699
  157   2HG   LYS  28           HG1      LYS  28  11.945  24.851  24.851
  158   1HD   LYS  28           HD2      LYS  28  10.362  24.641  24.641
  159   2HD   LYS  28           HD1      LYS  28  11.490  23.739  23.739
  160   1HE   LYS  28           HE2      LYS  28  12.444  25.985  25.985
  161   2HE   LYS  28           HE1      LYS  28  11.067  26.737  26.737
  162   1HZ   LYS  28           HZ2      LYS  28   9.859  24.853  24.853
  163   2HZ   LYS  28           HZ1      LYS  28  11.169  25.229  25.229
  164   3HZ   LYS  28           HZ3      LYS  28  10.093  26.450  26.450
  165    H    GLY  29           HN       GLY  29  13.953  25.818  25.818
  166   1HA   GLY  29           HA2      GLY  29  14.322  28.157  28.157
  167   2HA   GLY  29           HA1      GLY  29  15.595  27.643  27.643
  168    H    GLU  30           HN       GLU  30  16.695  25.743  25.743
  169    HA   GLU  30           HA       GLU  30  18.416  27.666  27.666
  170   1HB   GLU  30           HB2      GLU  30  19.134  25.411  25.411
  171   2HB   GLU  30           HB1      GLU  30  18.419  24.673  24.673
  172   1HG   GLU  30           HG2      GLU  30  20.092  26.920  26.920
  173   2HG   GLU  30           HG1      GLU  30  21.004  25.760  25.760
  174    H    ARG  31           HN       ARG  31  18.744  27.575  27.575
  175    HA   ARG  31           HA       ARG  31  16.244  26.752  26.752
  176   1HB   ARG  31           HB2      ARG  31  18.124  28.985  28.985
  177   2HB   ARG  31           HB1      ARG  31  16.530  28.633  28.633
  178   1HG   ARG  31           HG2      ARG  31  15.549  29.881  29.881
  179   2HG   ARG  31           HG1      ARG  31  16.322  28.920  28.920
  180   1HD   ARG  31           HD2      ARG  31  18.077  30.851  30.851
  181   2HD   ARG  31           HD1      ARG  31  16.838  31.556  31.556
  182    HE   ARG  31           HE       ARG  31  19.170  30.040  30.040
  183   1HH1  ARG  31          HH21      ARG  31  15.933  31.058  31.058
  184   2HH1  ARG  31          HH22      ARG  31  16.101  30.914  30.914
  185   1HH2  ARG  31          HH11      ARG  31  19.395  29.845  29.845
  186   2HH2  ARG  31          HH12      ARG  31  18.057  30.228  30.228
  187    H    LEU  32           HN       LEU  32  16.562  26.019  26.019
  188    HA   LEU  32           HA       LEU  32  19.351  25.238  25.238
  189   1HB   LEU  32           HB2      LEU  32  16.985  23.337  23.337
  190   2HB   LEU  32           HB1      LEU  32  18.611  22.953  22.953
  191    HG   LEU  32           HG       LEU  32  18.772  24.090  24.090
  192   1HD1  LEU  32          HD12      LEU  32  16.337  22.924  22.924
  193   2HD1  LEU  32          HD11      LEU  32  17.308  21.509  21.509
  194   3HD1  LEU  32          HD13      LEU  32  17.275  22.899  22.899
  195   1HD2  LEU  32          HD23      LEU  32  19.604  21.679  21.679
  196   2HD2  LEU  32          HD22      LEU  32  20.534  22.699  22.699
  197   3HD2  LEU  32          HD21      LEU  32  19.460  21.458  21.458
  198    H    GLN  33           HN       GLN  33  19.565  24.688  24.688
  199    HA   GLN  33           HA       GLN  33  17.539  26.165  26.165
  200   1HB   GLN  33           HB2      GLN  33  19.873  26.911  26.911
  201   2HB   GLN  33           HB1      GLN  33  20.356  25.281  25.281
  202   1HG   GLN  33           HG2      GLN  33  19.980  25.990  25.990
  203   2HG   GLN  33           HG1      GLN  33  18.273  25.797  25.797
  204   1HE2  GLN  33          HE22      GLN  33  18.375  29.483  29.483
  205   2HE2  GLN  33          HE21      GLN  33  18.299  28.073  28.073
  206    H    ILE  34           HN       ILE  34  16.002  24.397  24.397
  207    HA   ILE  34           HA       ILE  34  16.350  21.743  21.743
  208    HB   ILE  34           HB       ILE  34  14.268  23.564  23.564
  209   1HG1  ILE  34          HG12      ILE  34  14.261  23.831  23.831
  210   2HG1  ILE  34          HG11      ILE  34  12.896  22.803  22.803
  211   1HG2  ILE  34          HG23      ILE  34  14.625  21.124  21.124
  212   2HG2  ILE  34          HG22      ILE  34  13.943  20.654  20.654
  213   3HG2  ILE  34          HG21      ILE  34  12.995  21.631  21.631
  214   1HD1  ILE  34          HD13      ILE  34  14.907  20.958  20.958
  215   2HD1  ILE  34          HD12      ILE  34  15.312  22.158  22.158
  216   3HD1  ILE  34          HD11      ILE  34  13.727  21.384  21.384
  217    H    VAL  35           HN       VAL  35  16.634  20.533  20.533
  218    HA   VAL  35           HA       VAL  35  17.853  22.112  22.112
  219    HB   VAL  35           HB       VAL  35  18.125  19.188  19.188
  220   1HG1  VAL  35          HG12      VAL  35  18.506  20.527  20.527
  221   2HG1  VAL  35          HG11      VAL  35  20.079  20.033  20.033
  222   3HG1  VAL  35          HG13      VAL  35  18.805  18.835  18.835
  223   1HG2  VAL  35          HG23      VAL  35  19.313  21.187  21.187
  224   2HG2  VAL  35          HG22      VAL  35  20.220  19.733  19.733
  225   3HG2  VAL  35          HG21      VAL  35  20.364  21.178  21.178
  226    H    ASN  36           HN       ASN  36  16.038  19.033  19.033
  227    HA   ASN  36           HA       ASN  36  14.612  19.879  19.879
  228   1HB   ASN  36           HB2      ASN  36  16.154  17.655  17.655
  229   2HB   ASN  36           HB1      ASN  36  14.568  17.014  17.014
  230   1HD2  ASN  36          HD22      ASN  36  14.500  16.600  16.600
  231   2HD2  ASN  36          HD21      ASN  36  15.031  15.816  15.816
  232    H    ASN  37           HN       ASN  37  14.217  18.463  18.463
  233    HA   ASN  37           HA       ASN  37  12.297  17.970  17.970
  234   1HB   ASN  37           HB2      ASN  37  10.416  19.794  19.794
  235   2HB   ASN  37           HB1      ASN  37  11.866  20.179  20.179
  236   1HD2  ASN  37          HD22      ASN  37  11.169  22.126  22.126
  237   2HD2  ASN  37          HD21      ASN  37  10.004  21.176  21.176
  238    H    THR  38           HN       THR  38  10.447  19.320  19.320
  239    HA   THR  38           HA       THR  38   8.338  18.323  18.323
  240    HB   THR  38           HB       THR  38   9.453  18.686  18.686
  241    HG1  THR  38           HG1      THR  38   8.079  16.787  16.787
  242   1HG2  THR  38          HG21      THR  38  11.579  17.265  17.265
  243   2HG2  THR  38          HG23      THR  38  11.408  16.691  16.691
  244   3HG2  THR  38          HG22      THR  38  11.683  18.404  18.404
  245    H    GLU  39           HN       GLU  39  10.653  15.668  15.668
  246    HA   GLU  39           HA       GLU  39   8.628  13.919  13.919
  247   1HB   GLU  39           HB2      GLU  39   9.860  13.674  13.674
  248   2HB   GLU  39           HB1      GLU  39  10.057  12.222  12.222
  249   1HG   GLU  39           HG2      GLU  39   7.386  13.611  13.611
  250   2HG   GLU  39           HG1      GLU  39   7.906  12.406  12.406
  251    H    GLY  40           HN       GLY  40  10.052  11.599  11.599
  252   1HA   GLY  40           HA2      GLY  40  11.896  10.548  10.548
  253   2HA   GLY  40           HA1      GLY  40  12.741  12.096  12.096
  254    H    ASP  41           HN       ASP  41  10.992   9.891   9.891
  255    HA   ASP  41           HA       ASP  41   9.714  11.361  11.361
  256   1HB   ASP  41           HB2      ASP  41  10.778   8.766   8.766
  257   2HB   ASP  41           HB1      ASP  41  11.509   9.462   9.462
  258    H    TRP  42           HN       TRP  42  13.230  10.738  10.738
  259    HA   TRP  42           HA       TRP  42  13.628  12.880  12.880
  260   1HB   TRP  42           HB2      TRP  42  15.307  10.610  10.610
  261   2HB   TRP  42           HB1      TRP  42  16.094  12.004  12.004
  262    HD1  TRP  42           HD1      TRP  42  13.340   9.363   9.363
  263    HE1  TRP  42           HE1      TRP  42  13.390   9.159   9.159
  264    HE3  TRP  42           HE3      TRP  42  16.725  12.840  12.840
  265    HZ2  TRP  42           HZ2      TRP  42  14.785  10.402  10.402
  266    HZ3  TRP  42           HZ3      TRP  42  17.446  13.364  13.364
  267    HH2  TRP  42           HH2      TRP  42  16.475  12.144  12.144
  268    H    TRP  43           HN       TRP  43  13.983  14.884  14.884
  269    HA   TRP  43           HA       TRP  43  14.744  15.245  15.245
  270   1HB   TRP  43           HB2      TRP  43  14.240  17.215  17.215
  271   2HB   TRP  43           HB1      TRP  43  14.600  17.681  17.681
  272    HD1  TRP  43           HD1      TRP  43  12.772  15.143  15.143
  273    HE1  TRP  43           HE1      TRP  43  10.283  15.599  15.599
  274    HE3  TRP  43           HE3      TRP  43  12.665  18.754  18.754
  275    HZ2  TRP  43           HZ2      TRP  43   8.376  17.376  17.376
  276    HZ3  TRP  43           HZ3      TRP  43  10.575  19.849  19.849
  277    HH2  TRP  43           HH2      TRP  43   8.432  19.159  19.159
  278    H    LEU  44           HN       LEU  44  16.392  17.295  17.295
  279    HA   LEU  44           HA       LEU  44  18.767  16.759  16.759
  280   1HB   LEU  44           HB2      LEU  44  18.969  15.408  15.408
  281   2HB   LEU  44           HB1      LEU  44  18.866  16.908  16.908
  282    HG   LEU  44           HG       LEU  44  20.835  17.701  17.701
  283   1HD1  LEU  44          HD11      LEU  44  20.421  15.405  15.405
  284   2HD1  LEU  44          HD13      LEU  44  21.570  14.813  14.813
  285   3HD1  LEU  44          HD12      LEU  44  22.022  16.135  16.135
  286   1HD2  LEU  44          HD21      LEU  44  20.754  16.826  16.826
  287   2HD2  LEU  44          HD23      LEU  44  22.294  17.130  17.130
  288   3HD2  LEU  44          HD22      LEU  44  21.672  15.484  15.484
  289    H    ALA  45           HN       ALA  45  19.361  18.729  18.729
  290    HA   ALA  45           HA       ALA  45  18.850  21.109  21.109
  291   1HB   ALA  45           HB3      ALA  45  17.459  20.966  20.966
  292   2HB   ALA  45           HB2      ALA  45  18.957  21.085  21.085
  293   3HB   ALA  45           HB1      ALA  45  18.454  22.417  22.417
  294    H    HIS  46           HN       HIS  46  20.343  22.995  22.995
  295    HA   HIS  46           HA       HIS  46  23.091  21.913  21.913
  296   1HB   HIS  46           HB2      HIS  46  23.463  22.807  22.807
  297   2HB   HIS  46           HB1      HIS  46  21.953  23.710  23.710
  298    HD1  HIS  46           HD1      HIS  46  25.513  24.109  24.109
  299    HD2  HIS  46           HD2      HIS  46  22.130  26.358  26.358
  300    HE1  HIS  46           HE1      HIS  46  26.271  26.395  26.395
  301    H    SER  47           HN       SER  47  24.161  22.708  22.708
  302    HA   SER  47           HA       SER  47  22.927  24.249  24.249
  303   1HB   SER  47           HB2      SER  47  25.887  24.034  24.034
  304   2HB   SER  47           HB1      SER  47  25.214  24.624  24.624
  305    HG   SER  47           HG       SER  47  25.801  22.350  22.350
  306    H    LEU  48           HN       LEU  48  24.091  26.468  26.468
  307    HA   LEU  48           HA       LEU  48  24.111  28.247  28.247
  308   1HB   LEU  48           HB2      LEU  48  23.098  29.014  29.014
  309   2HB   LEU  48           HB1      LEU  48  22.929  29.927  29.927
  310    HG   LEU  48           HG       LEU  48  21.707  27.201  27.201
  311   1HD1  LEU  48          HD12      LEU  48  20.489  29.975  29.975
  312   2HD1  LEU  48          HD11      LEU  48  19.562  28.477  28.477
  313   3HD1  LEU  48          HD13      LEU  48  20.590  28.958  28.958
  314   1HD2  LEU  48          HD23      LEU  48  22.312  28.561  28.561
  315   2HD2  LEU  48          HD22      LEU  48  21.393  27.070  27.070
  316   3HD2  LEU  48          HD21      LEU  48  20.564  28.626  28.626
  317    H    THR  49           HN       THR  49  25.667  27.305  27.305
  318    HA   THR  49           HA       THR  49  27.176  29.635  29.635
  319    HB   THR  49           HB       THR  49  27.942  26.717  26.717
  320    HG1  THR  49           HG1      THR  49  26.297  27.005  27.005
  321   1HG2  THR  49          HG23      THR  49  29.324  29.252  29.252
  322   2HG2  THR  49          HG22      THR  49  29.276  28.057  28.057
  323   3HG2  THR  49          HG21      THR  49  29.990  27.640  27.640
  324    H    THR  50           HN       THR  50  29.284  27.055  27.055
  325    HA   THR  50           HA       THR  50  30.512  28.865  28.865
  326    HB   THR  50           HB       THR  50  31.998  27.741  27.741
  327    HG1  THR  50           HG1      THR  50  32.479  27.975  27.975
  328   1HG2  THR  50          HG23      THR  50  30.786  25.220  25.220
  329   2HG2  THR  50          HG22      THR  50  32.230  25.243  25.243
  330   3HG2  THR  50          HG21      THR  50  30.684  25.775  25.775
  331    H    GLY  51           HN       GLY  51  28.541  26.007  26.007
  332   1HA   GLY  51           HA2      GLY  51  27.291  25.673  25.673
  333   2HA   GLY  51           HA1      GLY  51  28.889  25.660  25.660
  334    H    GLN  52           HN       GLN  52  26.696  23.539  23.539
  335    HA   GLN  52           HA       GLN  52  28.384  21.265  21.265
  336   1HB   GLN  52           HB2      GLN  52  27.315  22.295  22.295
  337   2HB   GLN  52           HB1      GLN  52  27.052  20.572  20.572
  338   1HG   GLN  52           HG2      GLN  52  29.743  21.398  21.398
  339   2HG   GLN  52           HG1      GLN  52  29.407  21.747  21.747
  340   1HE2  GLN  52          HE22      GLN  52  30.096  18.377  18.377
  341   2HE2  GLN  52          HE21      GLN  52  30.386  20.014  20.014
  342    H    THR  53           HN       THR  53  26.770  19.255  19.255
  343    HA   THR  53           HA       THR  53  24.058  19.756  19.756
  344    HB   THR  53           HB       THR  53  26.166  18.681  18.681
  345    HG1  THR  53           HG1      THR  53  23.371  18.960  18.960
  346   1HG2  THR  53          HG22      THR  53  25.482  16.494  16.494
  347   2HG2  THR  53          HG21      THR  53  23.925  16.676  16.676
  348   3HG2  THR  53          HG23      THR  53  25.400  16.510  16.510
  349    H    GLY  54           HN       GLY  54  22.539  18.259  18.259
  350   1HA   GLY  54           HA2      GLY  54  23.312  15.777  15.777
  351   2HA   GLY  54           HA1      GLY  54  22.994  17.027  17.027
  352    H    TYR  55           HN       TYR  55  21.530  14.478  14.478
  353    HA   TYR  55           HA       TYR  55  19.013  15.456  15.456
  354   1HB   TYR  55           HB2      TYR  55  19.726  12.826  12.826
  355   2HB   TYR  55           HB1      TYR  55  18.230  13.152  13.152
  356    HD1  TYR  55           HD1      TYR  55  18.422  13.881  13.881
  357    HD2  TYR  55           HD2      TYR  55  21.662  12.151  12.151
  358    HE1  TYR  55           HE1      TYR  55  19.524  13.320  13.320
  359    HE2  TYR  55           HE2      TYR  55  22.764  11.589  11.589
  360    HH   TYR  55           HH       TYR  55  22.592  12.682  12.682
  361    H    ILE  56           HN       ILE  56  17.135  15.960  15.960
  362    HA   ILE  56           HA       ILE  56  17.261  15.764  15.764
  363    HB   ILE  56           HB       ILE  56  16.164  17.930  17.930
  364   1HG1  ILE  56          HG12      ILE  56  14.918  17.598  17.598
  365   2HG1  ILE  56          HG11      ILE  56  15.480  19.231  19.231
  366   1HG2  ILE  56          HG21      ILE  56  18.763  17.538  17.538
  367   2HG2  ILE  56          HG23      ILE  56  18.062  19.078  19.078
  368   3HG2  ILE  56          HG22      ILE  56  18.277  18.719  18.719
  369   1HD1  ILE  56          HD13      ILE  56  17.574  17.779  17.779
  370   2HD1  ILE  56          HD12      ILE  56  16.086  17.655  17.655
  371   3HD1  ILE  56          HD11      ILE  56  16.739  19.240  19.240
  372    HA   PRO  57           HA       PRO  57  13.447  13.630  13.630
  373   1HB   PRO  57           HB2      PRO  57  12.413  14.814  14.814
  374   2HB   PRO  57           HB1      PRO  57  13.097  13.199  13.199
  375   1HG   PRO  57           HG2      PRO  57  14.296  15.458  15.458
  376   2HG   PRO  57           HG1      PRO  57  14.984  13.846  13.846
  377   1HD   PRO  57           HD1      PRO  57  15.751  16.296  16.296
  378   2HD   PRO  57           HD2      PRO  57  16.438  14.677  14.677
  379    H    SER  58           HN       SER  58  11.759  14.233  14.233
  380    HA   SER  58           HA       SER  58  11.077  16.984  16.984
  381   1HB   SER  58           HB2      SER  58   9.792  16.158  16.158
  382   2HB   SER  58           HB1      SER  58  10.646  14.655  14.655
  383    HG   SER  58           HG       SER  58   8.493  14.191  14.191
  384    H    ASN  59           HN       ASN  59  10.299  14.970  14.970
  385    HA   ASN  59           HA       ASN  59   7.717  16.381  16.381
  386   1HB   ASN  59           HB2      ASN  59   8.514  13.706  13.706
  387   2HB   ASN  59           HB1      ASN  59   8.400  14.403  14.403
  388   1HD2  ASN  59          HD22      ASN  59   4.906  13.999  13.999
  389   2HD2  ASN  59          HD21      ASN  59   6.355  13.811  13.811
  390    H    TYR  60           HN       TYR  60  10.995  16.513  16.513
  391    HA   TYR  60           HA       TYR  60  10.444  17.694  17.694
  392   1HB   TYR  60           HB2      TYR  60  12.955  16.781  16.781
  393   2HB   TYR  60           HB1      TYR  60  13.032  17.800  17.800
  394    HD1  TYR  60           HD1      TYR  60  10.157  15.631  15.631
  395    HD2  TYR  60           HD2      TYR  60  14.244  15.782  15.782
  396    HE1  TYR  60           HE1      TYR  60   9.824  13.659  13.659
  397    HE2  TYR  60           HE2      TYR  60  13.909  13.809  13.809
  398    HH   TYR  60           HH       TYR  60  11.507  11.737  11.737
  399    H    VAL  61           HN       VAL  61  10.007  18.888  18.888
  400    HA   VAL  61           HA       VAL  61  11.032  21.561  21.561
  401    HB   VAL  61           HB       VAL  61  12.846  20.968  20.968
  402   1HG1  VAL  61          HG13      VAL  61  10.957  19.072  19.072
  403   2HG1  VAL  61          HG12      VAL  61  11.742  19.915  19.915
  404   3HG1  VAL  61          HG11      VAL  61  12.716  19.063  19.063
  405   1HG2  VAL  61          HG22      VAL  61  10.791  22.110  22.110
  406   2HG2  VAL  61          HG21      VAL  61  11.808  23.046  23.046
  407   3HG2  VAL  61          HG23      VAL  61  12.538  22.145  22.145
  408    H    ALA  62           HN       ALA  62  10.076  23.232  23.232
  409    HA   ALA  62           HA       ALA  62   7.537  22.307  22.307
  410   1HB   ALA  62           HB2      ALA  62   7.850  24.229  24.229
  411   2HB   ALA  62           HB1      ALA  62   6.592  24.547  24.547
  412   3HB   ALA  62           HB3      ALA  62   6.586  23.034  23.034
  413    HA   PRO  63           HA       PRO  63   8.950  24.989  24.989
  414   1HB   PRO  63           HB2      PRO  63   6.319  25.336  25.336
  415   2HB   PRO  63           HB1      PRO  63   7.562  24.208  24.208
  416   1HG   PRO  63           HG2      PRO  63   5.117  23.606  23.606
  417   2HG   PRO  63           HG1      PRO  63   6.324  22.473  22.473
  418   1HD   PRO  63           HD1      PRO  63   5.851  23.237  23.237
  419   2HD   PRO  63           HD2      PRO  63   7.063  22.099  22.099
  420    H    SER  64           HN       SER  64   9.327  26.754  26.754
  421    HA   SER  64           HA       SER  64   8.010  29.167  29.167
  422   1HB   SER  64           HB2      SER  64   6.268  29.402  29.402
  423   2HB   SER  64           HB1      SER  64   6.306  27.641  27.641
  424    HG   SER  64           HG       SER  64   6.459  28.235  28.235
  425   1H    ALA  71           HT3      ALA  71  15.270  14.471  14.471
  426   2H    ALA  71           HT2      ALA  71  16.455  15.516  15.516
  427   3H    ALA  71           HT1      ALA  71  15.211  16.129  16.129
  428    HA   ALA  71           HA       ALA  71  14.515  16.720  16.720
  429   1HB   ALA  71           HB2      ALA  71  15.709  14.059  14.059
  430   2HB   ALA  71           HB1      ALA  71  14.539  14.841  14.841
  431   3HB   ALA  71           HB3      ALA  71  16.054  15.653  15.653
  432    H    PHE  72           HN       PHE  72  13.992  13.330  13.330
  433    HA   PHE  72           HA       PHE  72  11.981  12.105  12.105
  434   1HB   PHE  72           HB2      PHE  72  10.904  14.727  14.727
  435   2HB   PHE  72           HB1      PHE  72  10.375  13.098  13.098
  436    HD1  PHE  72           HD1      PHE  72  12.989  11.719  11.719
  437    HD2  PHE  72           HD2      PHE  72  11.761  15.580  15.580
  438    HE1  PHE  72           HE1      PHE  72  14.653  11.638  11.638
  439    HE2  PHE  72           HE2      PHE  72  13.427  15.495  15.495
  440    HZ   PHE  72           HZ       PHE  72  14.874  13.526  13.526
  441    H    ALA  73           HN       ALA  73  12.360  13.092  13.092
  442    HA   ALA  73           HA       ALA  73   9.833  14.378  14.378
  443   1HB   ALA  73           HB3      ALA  73  12.510  14.100  14.100
  444   2HB   ALA  73           HB2      ALA  73  11.295  13.617  13.617
  445   3HB   ALA  73           HB1      ALA  73  11.233  15.224  15.224
  446    HA   PRO  74           HA       PRO  74   7.698  10.788  10.788
  447   1HB   PRO  74           HB2      PRO  74   7.213  11.578  11.578
  448   2HB   PRO  74           HB1      PRO  74   6.107  11.684  11.684
  449   1HG   PRO  74           HG2      PRO  74   7.481  13.846  13.846
  450   2HG   PRO  74           HG1      PRO  74   6.366  13.951  13.951
  451   1HD   PRO  74           HD1      PRO  74   9.231  14.309  14.309
  452   2HD   PRO  74           HD2      PRO  74   8.112  14.411  14.411
  453    HA   PRO  75           HA       PRO  75  10.351   7.994   7.994
  454   1HB   PRO  75           HB2      PRO  75   8.322   6.756   6.756
  455   2HB   PRO  75           HB1      PRO  75   9.035   6.151   6.151
  456   1HG   PRO  75           HG2      PRO  75   6.386   7.235   7.235
  457   2HG   PRO  75           HG1      PRO  75   7.096   6.625   6.625
  458   1HD   PRO  75           HD1      PRO  75   6.549   9.366   9.366
  459   2HD   PRO  75           HD2      PRO  75   7.282   8.756   8.756
  460    H    LEU  76           HN       LEU  76  11.689   8.862   8.862
  461    HA   LEU  76           HA       LEU  76  11.086  10.582  10.582
  462   1HB   LEU  76           HB2      LEU  76  13.146   8.357   8.357
  463   2HB   LEU  76           HB1      LEU  76  13.096   9.610   9.610
  464    HG   LEU  76           HG       LEU  76  12.982  10.587  10.587
  465   1HD1  LEU  76          HD11      LEU  76  15.232   8.938   8.938
  466   2HD1  LEU  76          HD13      LEU  76  15.644  10.385  10.385
  467   3HD1  LEU  76          HD12      LEU  76  14.664   9.120   9.120
  468   1HD2  LEU  76          HD22      LEU  76  13.758  11.467  11.467
  469   2HD2  LEU  76          HD21      LEU  76  13.430  12.433  12.433
  470   3HD2  LEU  76          HD23      LEU  76  15.047  11.785  11.785
  471    HA   PRO  77           HA       PRO  77   8.555   8.439   8.439
  472   1HB   PRO  77           HB2      PRO  77   9.790   9.676   9.676
  473   2HB   PRO  77           HB1      PRO  77   8.259  10.102  10.102
  474   1HG   PRO  77           HG2      PRO  77  10.744  11.566  11.566
  475   2HG   PRO  77           HG1      PRO  77   9.217  11.983  11.983
  476   1HD   PRO  77           HD1      PRO  77  11.639  10.998  10.998
  477   2HD   PRO  77           HD2      PRO  77  10.115  11.441  11.441
  478    H    ARG  78           HN       ARG  78   8.874   6.353   6.353
  479    HA   ARG  78           HA       ARG  78  11.288   5.007   5.007
  480   1HB   ARG  78           HB2      ARG  78   8.768   4.204   4.204
  481   2HB   ARG  78           HB1      ARG  78   9.163   4.314   4.314
  482   1HG   ARG  78           HG2      ARG  78   9.628   2.049   2.049
  483   2HG   ARG  78           HG1      ARG  78  11.101   2.839   2.839
  484   1HD   ARG  78           HD2      ARG  78  11.099   1.666   1.666
  485   2HD   ARG  78           HD1      ARG  78  11.873   3.243   3.243
  486    HE   ARG  78           HE       ARG  78  10.182   4.161   4.161
  487   1HH1  ARG  78          HH21      ARG  78   9.323   1.042   1.042
  488   2HH1  ARG  78          HH22      ARG  78   7.891   0.920   0.920
  489   1HH2  ARG  78          HH11      ARG  78   8.315   4.011   4.011
  490   2HH2  ARG  78          HH12      ARG  78   7.322   2.596   2.596
  491    H    ARG  79           HN       ARG  79  12.989   5.140   5.140
  492    HA   ARG  79           HA       ARG  79  12.918   6.988   6.988
  493   1HB   ARG  79           HB2      ARG  79  15.015   4.927   4.927
  494   2HB   ARG  79           HB1      ARG  79  15.236   6.249   6.249
  495   1HG   ARG  79           HG2      ARG  79  14.358   7.671   7.671
  496   2HG   ARG  79           HG1      ARG  79  15.089   6.322   6.322
  497   1HD   ARG  79           HD2      ARG  79  17.152   6.685   6.685
  498   2HD   ARG  79           HD1      ARG  79  16.414   8.218   8.218
  499    HE   ARG  79           HE       ARG  79  16.514   7.922   7.922
  500   1HH1  ARG  79          HH21      ARG  79  18.317   8.684   8.684
  501   2HH1  ARG  79          HH22      ARG  79  19.449   9.694   9.694
  502   1HH2  ARG  79          HH11      ARG  79  17.987   9.237   9.237
  503   2HH2  ARG  79          HH12      ARG  79  19.263  10.008  10.008

  Start of MODEL    3
    1   1H    THR   9           HT2      THR   9  13.477  29.594  29.594
    2   2H    THR   9           HT1      THR   9  15.058  29.645  29.645
    3   3H    THR   9           HT3      THR   9  14.239  28.162  28.162
    4    HA   THR   9           HA       THR   9  15.713  28.155  28.155
    5    HB   THR   9           HB       THR   9  14.736  30.986  30.986
    6    HG1  THR   9           HG1      THR   9  16.568  31.557  31.557
    7   1HG2  THR   9          HG23      THR   9  15.273  29.402  29.402
    8   2HG2  THR   9          HG22      THR   9  16.948  29.636  29.636
    9   3HG2  THR   9          HG21      THR   9  15.965  31.024  31.024
   10    H    PHE  10           HN       PHE  10  14.382  26.533  26.533
   11    HA   PHE  10           HA       PHE  10  11.745  27.165  27.165
   12   1HB   PHE  10           HB2      PHE  10  13.423  24.659  24.659
   13   2HB   PHE  10           HB1      PHE  10  11.933  24.715  24.715
   14    HD1  PHE  10           HD2      PHE  10  12.162  26.813  26.813
   15    HD2  PHE  10           HD1      PHE  10  10.948  22.992  22.992
   16    HE1  PHE  10           HE2      PHE  10  10.853  26.453  26.453
   17    HE2  PHE  10           HE1      PHE  10   9.638  22.639  22.639
   18    HZ   PHE  10           HZ       PHE  10   9.591  24.363  24.363
   19    H    VAL  11           HN       VAL  11  11.586  25.726  25.726
   20    HA   VAL  11           HA       VAL  11  13.660  26.939  26.939
   21    HB   VAL  11           HB       VAL  11  10.664  26.822  26.822
   22   1HG1  VAL  11          HG13      VAL  11  12.916  27.850  27.850
   23   2HG1  VAL  11          HG12      VAL  11  11.196  28.016  28.016
   24   3HG1  VAL  11          HG11      VAL  11  11.936  26.417  26.417
   25   1HG2  VAL  11          HG21      VAL  11  12.577  29.147  29.147
   26   2HG2  VAL  11          HG23      VAL  11  11.351  28.613  28.613
   27   3HG2  VAL  11          HG22      VAL  11  10.865  29.295  29.295
   28    H    ALA  12           HN       ALA  12  13.986  25.741  25.741
   29    HA   ALA  12           HA       ALA  12  13.505  22.850  22.850
   30   1HB   ALA  12           HB1      ALA  12  15.237  24.477  24.477
   31   2HB   ALA  12           HB3      ALA  12  14.956  22.759  22.759
   32   3HB   ALA  12           HB2      ALA  12  15.730  23.289  23.289
   33    H    LEU  13           HN       LEU  13  11.276  22.662  22.662
   34    HA   LEU  13           HA       LEU  13  10.080  23.765  23.765
   35   1HB   LEU  13           HB2      LEU  13   9.259  21.438  21.438
   36   2HB   LEU  13           HB1      LEU  13   8.258  22.112  22.112
   37    HG   LEU  13           HG       LEU  13   9.315  23.666  23.666
   38   1HD1  LEU  13          HD12      LEU  13   6.668  22.356  22.356
   39   2HD1  LEU  13          HD11      LEU  13   6.769  23.731  23.731
   40   3HD1  LEU  13          HD13      LEU  13   7.636  22.240  22.240
   41   1HD2  LEU  13          HD21      LEU  13   7.398  24.401  24.401
   42   2HD2  LEU  13          HD23      LEU  13   9.016  25.059  25.059
   43   3HD2  LEU  13          HD22      LEU  13   7.740  25.408  25.408
   44    H    TYR  14           HN       TYR  14  11.766  20.755  20.755
   45    HA   TYR  14           HA       TYR  14  11.518  20.056  20.056
   46   1HB   TYR  14           HB2      TYR  14  11.486  18.216  18.216
   47   2HB   TYR  14           HB1      TYR  14  11.636  17.656  17.656
   48    HD1  TYR  14           HD2      TYR  14   9.520  20.092  20.092
   49    HD2  TYR  14           HD1      TYR  14   9.630  16.983  16.983
   50    HE1  TYR  14           HE2      TYR  14   7.105  20.316  20.316
   51    HE2  TYR  14           HE1      TYR  14   7.199  17.163  17.163
   52    HH   TYR  14           HH       TYR  14   5.197  18.216  18.216
   53    H    ASP  15           HN       ASP  15  13.431  19.394  19.394
   54    HA   ASP  15           HA       ASP  15  15.917  20.140  20.140
   55   1HB   ASP  15           HB2      ASP  15  16.930  19.204  19.204
   56   2HB   ASP  15           HB1      ASP  15  15.576  20.261  20.261
   57    H    TYR  16           HN       TYR  16  15.926  18.815  18.815
   58    HA   TYR  16           HA       TYR  16  15.729  15.967  15.967
   59   1HB   TYR  16           HB2      TYR  16  15.580  17.224  17.224
   60   2HB   TYR  16           HB1      TYR  16  17.222  17.833  17.833
   61    HD1  TYR  16           HD1      TYR  16  16.128  14.377  14.377
   62    HD2  TYR  16           HD2      TYR  16  18.222  16.862  16.862
   63    HE1  TYR  16           HE1      TYR  16  17.007  12.388  12.388
   64    HE2  TYR  16           HE2      TYR  16  19.096  14.872  14.872
   65    HH   TYR  16           HH       TYR  16  17.890  11.741  11.741
   66    H    GLU  17           HN       GLU  17  17.088  14.534  14.534
   67    HA   GLU  17           HA       GLU  17  19.936  15.357  15.357
   68   1HB   GLU  17           HB2      GLU  17  18.783  15.085  15.085
   69   2HB   GLU  17           HB1      GLU  17  18.206  13.490  13.490
   70   1HG   GLU  17           HG2      GLU  17  20.150  13.191  13.191
   71   2HG   GLU  17           HG1      GLU  17  20.604  12.768  12.768
   72    H    SER  18           HN       SER  18  20.383  14.479  14.479
   73    HA   SER  18           HA       SER  18  19.811  11.874  11.874
   74   1HB   SER  18           HB2      SER  18  21.328  12.286  12.286
   75   2HB   SER  18           HB1      SER  18  21.210  13.931  13.931
   76    HG   SER  18           HG       SER  18  23.200  11.993  11.993
   77    H    ARG  19           HN       ARG  19  21.403  10.015  10.015
   78    HA   ARG  19           HA       ARG  19  22.891   9.770   9.770
   79   1HB   ARG  19           HB2      ARG  19  20.919   8.022   8.022
   80   2HB   ARG  19           HB1      ARG  19  22.385   7.182   7.182
   81   1HG   ARG  19           HG2      ARG  19  21.672   7.225   7.225
   82   2HG   ARG  19           HG1      ARG  19  21.641   8.988   8.988
   83   1HD   ARG  19           HD2      ARG  19  19.389   8.999   8.999
   84   2HD   ARG  19           HD1      ARG  19  19.382   7.911   7.911
   85    HE   ARG  19           HE       ARG  19  18.889   7.144   7.144
   86   1HH1  ARG  19          HH21      ARG  19  20.286   6.180   6.180
   87   2HH1  ARG  19          HH22      ARG  19  20.073   4.488   4.488
   88   1HH2  ARG  19          HH11      ARG  19  18.609   4.939   4.939
   89   2HH2  ARG  19          HH12      ARG  19  19.126   3.786   3.786
   90    H    THR  20           HN       THR  20  23.255  10.013  10.013
   91    HA   THR  20           HA       THR  20  25.859   8.551   8.551
   92    HB   THR  20           HB       THR  20  24.577   7.201   7.201
   93    HG1  THR  20           HG1      THR  20  26.435   7.692   7.692
   94   1HG2  THR  20          HG22      THR  20  23.326   9.807   9.807
   95   2HG2  THR  20          HG21      THR  20  23.348   8.537   8.537
   96   3HG2  THR  20          HG23      THR  20  22.566   8.251   8.251
   97    H    GLU  21           HN       GLU  21  27.291   9.390   9.390
   98    HA   GLU  21           HA       GLU  21  27.486  12.287  12.287
   99   1HB   GLU  21           HB2      GLU  21  29.129  10.170  10.170
  100   2HB   GLU  21           HB1      GLU  21  29.424  11.871  11.871
  101   1HG   GLU  21           HG2      GLU  21  29.148  11.552  11.552
  102   2HG   GLU  21           HG1      GLU  21  30.319  10.373  10.373
  103    H    THR  22           HN       THR  22  25.965  10.164  10.164
  104    HA   THR  22           HA       THR  22  26.156  11.593  11.593
  105    HB   THR  22           HB       THR  22  23.675  10.178  10.178
  106    HG1  THR  22           HG1      THR  22  25.379   8.785   8.785
  107   1HG2  THR  22          HG21      THR  22  24.797  10.718  10.718
  108   2HG2  THR  22          HG23      THR  22  23.415   9.670   9.670
  109   3HG2  THR  22          HG22      THR  22  23.321  11.392  11.392
  110    H    ASP  23           HN       ASP  23  23.189  11.684  11.684
  111    HA   ASP  23           HA       ASP  23  22.717  14.450  14.450
  112   1HB   ASP  23           HB2      ASP  23  20.935  13.067  13.067
  113   2HB   ASP  23           HB1      ASP  23  20.507  14.140  14.140
  114    H    LEU  24           HN       LEU  24  22.968  16.245  16.245
  115    HA   LEU  24           HA       LEU  24  24.373  15.838  15.838
  116   1HB   LEU  24           HB2      LEU  24  23.331  18.511  18.511
  117   2HB   LEU  24           HB1      LEU  24  24.783  18.145  18.145
  118    HG   LEU  24           HG       LEU  24  25.741  18.595  18.595
  119   1HD1  LEU  24          HD12      LEU  24  25.738  15.950  15.950
  120   2HD1  LEU  24          HD11      LEU  24  25.068  15.885  15.885
  121   3HD1  LEU  24          HD13      LEU  24  26.645  16.626  16.626
  122   1HD2  LEU  24          HD23      LEU  24  23.032  18.079  18.079
  123   2HD2  LEU  24          HD22      LEU  24  24.260  19.148  19.148
  124   3HD2  LEU  24          HD21      LEU  24  24.235  17.441  17.441
  125    H    SER  25           HN       SER  25  23.367  17.898  17.898
  126    HA   SER  25           HA       SER  25  20.540  17.099  17.099
  127   1HB   SER  25           HB2      SER  25  21.810  17.770  17.770
  128   2HB   SER  25           HB1      SER  25  21.175  16.210  16.210
  129    HG   SER  25           HG       SER  25  23.156  15.586  15.586
  130    H    PHE  26           HN       PHE  26  19.191  18.801  18.801
  131    HA   PHE  26           HA       PHE  26  20.488  21.455  21.455
  132   1HB   PHE  26           HB2      PHE  26  18.705  22.497  22.497
  133   2HB   PHE  26           HB1      PHE  26  19.678  21.377  21.377
  134    HD1  PHE  26           HD2      PHE  26  16.474  21.764  21.764
  135    HD2  PHE  26           HD1      PHE  26  18.672  19.418  19.418
  136    HE1  PHE  26           HE2      PHE  26  14.426  20.534  20.534
  137    HE2  PHE  26           HE1      PHE  26  16.625  18.185  18.185
  138    HZ   PHE  26           HZ       PHE  26  14.499  18.746  18.746
  139    H    LYS  27           HN       LYS  27  19.697  22.481  22.481
  140    HA   LYS  27           HA       LYS  27  17.572  21.181  21.181
  141   1HB   LYS  27           HB2      LYS  27  18.825  23.845  23.845
  142   2HB   LYS  27           HB1      LYS  27  18.176  22.631  22.631
  143   1HG   LYS  27           HG2      LYS  27  20.665  22.330  22.330
  144   2HG   LYS  27           HG1      LYS  27  20.634  22.586  22.586
  145   1HD   LYS  27           HD2      LYS  27  19.001  20.435  20.435
  146   2HD   LYS  27           HD1      LYS  27  20.035  20.132  20.132
  147   1HE   LYS  27           HE2      LYS  27  22.020  20.182  20.182
  148   2HE   LYS  27           HE1      LYS  27  21.126  20.790  20.790
  149   1HZ   LYS  27           HZ3      LYS  27  20.332  18.240  18.240
  150   2HZ   LYS  27           HZ2      LYS  27  21.677  18.279  18.279
  151   3HZ   LYS  27           HZ1      LYS  27  20.154  18.766  18.766
  152    H    LYS  28           HN       LYS  28  15.847  22.726  22.726
  153    HA   LYS  28           HA       LYS  28  14.295  23.805  23.805
  154   1HB   LYS  28           HB2      LYS  28  13.093  22.864  22.864
  155   2HB   LYS  28           HB1      LYS  28  13.951  23.880  23.880
  156   1HG   LYS  28           HG2      LYS  28  12.896  25.880  25.880
  157   2HG   LYS  28           HG1      LYS  28  12.132  24.938  24.938
  158   1HD   LYS  28           HD2      LYS  28  10.368  24.782  24.782
  159   2HD   LYS  28           HD1      LYS  28  11.345  23.588  23.588
  160   1HE   LYS  28           HE2      LYS  28  11.313  24.945  24.945
  161   2HE   LYS  28           HE1      LYS  28  12.274  26.102  26.102
  162   1HZ   LYS  28           HZ3      LYS  28   9.507  26.157  26.157
  163   2HZ   LYS  28           HZ2      LYS  28   9.743  26.498  26.498
  164   3HZ   LYS  28           HZ1      LYS  28  10.529  27.431  27.431
  165    H    GLY  29           HN       GLY  29  14.025  25.950  25.950
  166   1HA   GLY  29           HA2      GLY  29  14.143  28.352  28.352
  167   2HA   GLY  29           HA1      GLY  29  15.463  28.014  28.014
  168    H    GLU  30           HN       GLU  30  16.612  26.079  26.079
  169    HA   GLU  30           HA       GLU  30  18.190  28.096  28.096
  170   1HB   GLU  30           HB2      GLU  30  19.435  26.269  26.269
  171   2HB   GLU  30           HB1      GLU  30  18.371  25.079  25.079
  172   1HG   GLU  30           HG2      GLU  30  19.268  25.418  25.418
  173   2HG   GLU  30           HG1      GLU  30  19.808  27.054  27.054
  174    H    ARG  31           HN       ARG  31  18.003  28.527  28.527
  175    HA   ARG  31           HA       ARG  31  15.777  27.181  27.181
  176   1HB   ARG  31           HB2      ARG  31  17.406  29.637  29.637
  177   2HB   ARG  31           HB1      ARG  31  16.016  29.030  29.030
  178   1HG   ARG  31           HG2      ARG  31  14.663  30.205  30.205
  179   2HG   ARG  31           HG1      ARG  31  15.213  29.214  29.214
  180   1HD   ARG  31           HD2      ARG  31  17.086  30.735  30.735
  181   2HD   ARG  31           HD1      ARG  31  16.637  31.693  31.693
  182    HE   ARG  31           HE       ARG  31  14.484  31.462  31.462
  183   1HH1  ARG  31          HH21      ARG  31  17.352  33.123  33.123
  184   2HH1  ARG  31          HH22      ARG  31  16.926  34.595  34.595
  185   1HH2  ARG  31          HH11      ARG  31  13.922  33.376  33.376
  186   2HH2  ARG  31          HH12      ARG  31  14.988  34.739  34.739
  187    H    LEU  32           HN       LEU  32  16.176  26.624  26.624
  188    HA   LEU  32           HA       LEU  32  19.008  26.023  26.023
  189   1HB   LEU  32           HB2      LEU  32  16.817  23.932  23.932
  190   2HB   LEU  32           HB1      LEU  32  18.386  23.663  23.663
  191    HG   LEU  32           HG       LEU  32  19.119  24.718  24.718
  192   1HD1  LEU  32          HD11      LEU  32  16.541  24.419  24.419
  193   2HD1  LEU  32          HD13      LEU  32  16.990  22.728  22.728
  194   3HD1  LEU  32          HD12      LEU  32  17.732  23.976  23.976
  195   1HD2  LEU  32          HD22      LEU  32  19.471  22.375  22.375
  196   2HD2  LEU  32          HD21      LEU  32  20.216  22.741  22.741
  197   3HD2  LEU  32          HD23      LEU  32  18.720  21.809  21.809
  198    H    GLN  33           HN       GLN  33  19.150  25.176  25.176
  199    HA   GLN  33           HA       GLN  33  17.078  26.576  26.576
  200   1HB   GLN  33           HB2      GLN  33  19.887  26.678  26.678
  201   2HB   GLN  33           HB1      GLN  33  19.429  25.733  25.733
  202   1HG   GLN  33           HG2      GLN  33  17.848  27.512  27.512
  203   2HG   GLN  33           HG1      GLN  33  18.319  28.458  28.458
  204   1HE2  GLN  33          HE21      GLN  33  19.533  27.160  27.160
  205   2HE2  GLN  33          HE22      GLN  33  20.854  28.220  28.220
  206    H    ILE  34           HN       ILE  34  15.539  25.040  25.040
  207    HA   ILE  34           HA       ILE  34  15.986  22.257  22.257
  208    HB   ILE  34           HB       ILE  34  13.882  24.030  24.030
  209   1HG1  ILE  34          HG12      ILE  34  13.849  24.057  24.057
  210   2HG1  ILE  34          HG11      ILE  34  12.471  23.139  23.139
  211   1HG2  ILE  34          HG23      ILE  34  14.225  21.031  21.031
  212   2HG2  ILE  34          HG22      ILE  34  12.633  21.766  21.766
  213   3HG2  ILE  34          HG21      ILE  34  13.875  22.029  22.029
  214   1HD1  ILE  34          HD13      ILE  34  14.015  21.068  21.068
  215   2HD1  ILE  34          HD12      ILE  34  15.017  22.103  22.103
  216   3HD1  ILE  34          HD11      ILE  34  13.350  21.761  21.761
  217    H    VAL  35           HN       VAL  35  16.017  20.989  20.989
  218    HA   VAL  35           HA       VAL  35  17.349  22.491  22.491
  219    HB   VAL  35           HB       VAL  35  17.751  19.620  19.620
  220   1HG1  VAL  35          HG13      VAL  35  18.644  21.183  21.183
  221   2HG1  VAL  35          HG12      VAL  35  19.710  19.947  19.947
  222   3HG1  VAL  35          HG11      VAL  35  18.099  19.509  19.509
  223   1HG2  VAL  35          HG21      VAL  35  19.229  22.192  22.192
  224   2HG2  VAL  35          HG23      VAL  35  19.028  20.839  20.839
  225   3HG2  VAL  35          HG22      VAL  35  20.175  20.720  20.720
  226    H    ASN  36           HN       ASN  36  15.114  19.872  19.872
  227    HA   ASN  36           HA       ASN  36  13.380  20.402  20.402
  228   1HB   ASN  36           HB2      ASN  36  15.373  19.487  19.487
  229   2HB   ASN  36           HB1      ASN  36  15.114  17.954  17.954
  230   1HD2  ASN  36          HD22      ASN  36  12.871  18.832  18.832
  231   2HD2  ASN  36          HD21      ASN  36  14.239  19.732  19.732
  232    H    ASN  37           HN       ASN  37  11.449  19.386  19.386
  233    HA   ASN  37           HA       ASN  37  11.455  17.385  17.385
  234   1HB   ASN  37           HB2      ASN  37   9.371  19.263  19.263
  235   2HB   ASN  37           HB1      ASN  37   8.916  17.901  17.901
  236   1HD2  ASN  37          HD22      ASN  37  11.610  20.172  20.172
  237   2HD2  ASN  37          HD21      ASN  37  12.044  19.344  19.344
  238    H    THR  38           HN       THR  38  11.877  15.451  15.451
  239    HA   THR  38           HA       THR  38  10.003  14.770  14.770
  240    HB   THR  38           HB       THR  38  12.003  14.249  14.249
  241    HG1  THR  38           HG1      THR  38  12.530  12.083  12.083
  242   1HG2  THR  38          HG22      THR  38  13.039  14.032  14.032
  243   2HG2  THR  38          HG21      THR  38  14.010  13.516  13.516
  244   3HG2  THR  38          HG23      THR  38  13.488  15.195  15.195
  245    H    GLU  39           HN       GLU  39  11.661  13.124  13.124
  246    HA   GLU  39           HA       GLU  39   9.857  10.919  10.919
  247   1HB   GLU  39           HB2      GLU  39  11.723  12.152  12.152
  248   2HB   GLU  39           HB1      GLU  39  10.750  10.733  10.733
  249   1HG   GLU  39           HG2      GLU  39  12.046   9.368   9.368
  250   2HG   GLU  39           HG1      GLU  39  12.178  10.560  10.560
  251    H    GLY  40           HN       GLY  40   8.894  10.771  10.771
  252   1HA   GLY  40           HA2      GLY  40   6.960  13.054  13.054
  253   2HA   GLY  40           HA1      GLY  40   6.509  11.397  11.397
  254    H    ASP  41           HN       ASP  41   9.562  11.769  11.769
  255    HA   ASP  41           HA       ASP  41   8.905  13.242  13.242
  256   1HB   ASP  41           HB2      ASP  41   9.552  10.300  10.300
  257   2HB   ASP  41           HB1      ASP  41   9.010  11.414  11.414
  258    H    TRP  42           HN       TRP  42  11.009  12.942  12.942
  259    HA   TRP  42           HA       TRP  42  13.295  13.416  13.416
  260   1HB   TRP  42           HB2      TRP  42  13.062  10.914  10.914
  261   2HB   TRP  42           HB1      TRP  42  14.645  11.625  11.625
  262    HD1  TRP  42           HD1      TRP  42  12.285   9.211   9.211
  263    HE1  TRP  42           HE1      TRP  42  12.873   8.929   8.929
  264    HE3  TRP  42           HE3      TRP  42  15.289  13.111  13.111
  265    HZ2  TRP  42           HZ2      TRP  42  14.501  10.303  10.303
  266    HZ3  TRP  42           HZ3      TRP  42  16.361  13.677  13.677
  267    HH2  TRP  42           HH2      TRP  42  15.968  12.272  12.272
  268    H    TRP  43           HN       TRP  43  14.172  15.184  15.184
  269    HA   TRP  43           HA       TRP  43  14.442  15.236  15.236
  270   1HB   TRP  43           HB2      TRP  43  13.852  17.621  17.621
  271   2HB   TRP  43           HB1      TRP  43  13.998  17.637  17.637
  272    HD1  TRP  43           HD1      TRP  43  12.260  14.867  14.867
  273    HE1  TRP  43           HE1      TRP  43   9.761  15.117  15.117
  274    HE3  TRP  43           HE3      TRP  43  12.212  19.039  19.039
  275    HZ2  TRP  43           HZ2      TRP  43   7.873  16.982  16.982
  276    HZ3  TRP  43           HZ3      TRP  43  10.128  20.086  20.086
  277    HH2  TRP  43           HH2      TRP  43   7.958  19.056  19.056
  278    H    LEU  44           HN       LEU  44  16.228  16.806  16.806
  279    HA   LEU  44           HA       LEU  44  18.502  16.486  16.486
  280   1HB   LEU  44           HB2      LEU  44  18.726  15.684  15.684
  281   2HB   LEU  44           HB1      LEU  44  18.547  17.357  17.357
  282    HG   LEU  44           HG       LEU  44  20.642  16.559  16.559
  283   1HD1  LEU  44          HD11      LEU  44  20.542  15.956  15.956
  284   2HD1  LEU  44          HD13      LEU  44  21.934  16.953  16.953
  285   3HD1  LEU  44          HD12      LEU  44  21.688  15.402  15.402
  286   1HD2  LEU  44          HD22      LEU  44  20.008  18.939  18.939
  287   2HD2  LEU  44          HD21      LEU  44  20.482  18.880  18.880
  288   3HD2  LEU  44          HD23      LEU  44  21.688  18.627  18.627
  289    H    ALA  45           HN       ALA  45  19.221  18.254  18.254
  290    HA   ALA  45           HA       ALA  45  18.429  20.936  20.936
  291   1HB   ALA  45           HB2      ALA  45  18.640  20.056  20.056
  292   2HB   ALA  45           HB1      ALA  45  18.280  21.696  21.696
  293   3HB   ALA  45           HB3      ALA  45  17.145  20.388  20.388
  294    H    HIS  46           HN       HIS  46  19.905  22.685  22.685
  295    HA   HIS  46           HA       HIS  46  22.678  21.755  21.755
  296   1HB   HIS  46           HB2      HIS  46  22.978  22.213  22.213
  297   2HB   HIS  46           HB1      HIS  46  21.609  23.314  23.314
  298    HD1  HIS  46           HD1      HIS  46  25.200  23.300  23.300
  299    HD2  HIS  46           HD2      HIS  46  22.183  26.014  26.014
  300    HE1  HIS  46           HE1      HIS  46  26.282  25.487  25.487
  301    H    SER  47           HN       SER  47  23.564  22.854  22.854
  302    HA   SER  47           HA       SER  47  22.088  24.921  24.921
  303   1HB   SER  47           HB2      SER  47  24.764  23.617  23.617
  304   2HB   SER  47           HB1      SER  47  24.460  25.133  25.133
  305    HG   SER  47           HG       SER  47  23.744  23.592  23.592
  306    H    LEU  48           HN       LEU  48  23.881  26.860  26.860
  307    HA   LEU  48           HA       LEU  48  24.639  28.110  28.110
  308   1HB   LEU  48           HB2      LEU  48  23.627  29.601  29.601
  309   2HB   LEU  48           HB1      LEU  48  23.883  30.244  30.244
  310    HG   LEU  48           HG       LEU  48  21.863  28.107  28.107
  311   1HD1  LEU  48          HD11      LEU  48  21.697  31.073  31.073
  312   2HD1  LEU  48          HD13      LEU  48  20.316  30.044  30.044
  313   3HD1  LEU  48          HD12      LEU  48  20.942  30.107  30.107
  314   1HD2  LEU  48          HD22      LEU  48  22.969  29.078  29.078
  315   2HD2  LEU  48          HD21      LEU  48  22.082  27.594  27.594
  316   3HD2  LEU  48          HD23      LEU  48  21.206  29.098  29.098
  317    H    THR  49           HN       THR  49  25.675  27.095  27.095
  318    HA   THR  49           HA       THR  49  27.768  29.092  29.092
  319    HB   THR  49           HB       THR  49  28.350  26.627  26.627
  320    HG1  THR  49           HG1      THR  49  26.252  26.023  26.023
  321   1HG2  THR  49          HG22      THR  49  27.625  29.447  29.447
  322   2HG2  THR  49          HG21      THR  49  27.447  28.261  28.261
  323   3HG2  THR  49          HG23      THR  49  29.016  28.500  28.500
  324    H    THR  50           HN       THR  50  28.338  25.588  25.588
  325    HA   THR  50           HA       THR  50  30.752  26.131  26.131
  326    HB   THR  50           HB       THR  50  30.228  23.323  23.323
  327    HG1  THR  50           HG1      THR  50  30.543  23.784  23.784
  328   1HG2  THR  50          HG23      THR  50  32.395  24.887  24.887
  329   2HG2  THR  50          HG22      THR  50  32.279  24.847  24.847
  330   3HG2  THR  50          HG21      THR  50  32.440  23.344  23.344
  331    H    GLY  51           HN       GLY  51  27.567  24.692  24.692
  332   1HA   GLY  51           HA2      GLY  51  26.455  24.546  24.546
  333   2HA   GLY  51           HA1      GLY  51  28.032  24.494  24.494
  334    H    GLN  52           HN       GLN  52  27.568  22.547  22.547
  335    HA   GLN  52           HA       GLN  52  28.176  20.123  20.123
  336   1HB   GLN  52           HB2      GLN  52  27.783  20.934  20.934
  337   2HB   GLN  52           HB1      GLN  52  26.944  19.416  19.416
  338   1HG   GLN  52           HG2      GLN  52  28.896  18.277  18.277
  339   2HG   GLN  52           HG1      GLN  52  29.713  19.721  19.721
  340   1HE2  GLN  52          HE22      GLN  52  30.404  20.861  20.861
  341   2HE2  GLN  52          HE21      GLN  52  29.743  21.503  21.503
  342    H    THR  53           HN       THR  53  26.813  18.736  18.736
  343    HA   THR  53           HA       THR  53  23.950  19.394  19.394
  344    HB   THR  53           HB       THR  53  25.681  17.329  17.329
  345    HG1  THR  53           HG1      THR  53  24.398  19.736  19.736
  346   1HG2  THR  53          HG22      THR  53  22.686  17.706  17.706
  347   2HG2  THR  53          HG21      THR  53  23.549  16.952  16.952
  348   3HG2  THR  53          HG23      THR  53  23.596  16.218  16.218
  349    H    GLY  54           HN       GLY  54  22.289  18.087  18.087
  350   1HA   GLY  54           HA2      GLY  54  22.908  15.505  15.505
  351   2HA   GLY  54           HA1      GLY  54  22.511  16.776  16.776
  352    H    TYR  55           HN       TYR  55  21.122  14.243  14.243
  353    HA   TYR  55           HA       TYR  55  18.697  15.309  15.309
  354   1HB   TYR  55           HB2      TYR  55  19.273  12.609  12.609
  355   2HB   TYR  55           HB1      TYR  55  17.851  12.997  12.997
  356    HD1  TYR  55           HD2      TYR  55  18.933  14.623  14.623
  357    HD2  TYR  55           HD1      TYR  55  20.590  11.158  11.158
  358    HE1  TYR  55           HE2      TYR  55  20.186  14.139  14.139
  359    HE2  TYR  55           HE1      TYR  55  21.843  10.675  10.675
  360    HH   TYR  55           HH       TYR  55  21.454  11.295  11.295
  361    H    ILE  56           HN       ILE  56  17.467  16.656  16.656
  362    HA   ILE  56           HA       ILE  56  17.151  16.030  16.030
  363    HB   ILE  56           HB       ILE  56  15.814  18.191  18.191
  364   1HG1  ILE  56          HG12      ILE  56  16.993  18.957  18.957
  365   2HG1  ILE  56          HG11      ILE  56  15.713  17.750  17.750
  366   1HG2  ILE  56          HG21      ILE  56  18.553  17.735  17.735
  367   2HG2  ILE  56          HG23      ILE  56  18.363  19.013  19.013
  368   3HG2  ILE  56          HG22      ILE  56  17.766  19.250  19.250
  369   1HD1  ILE  56          HD11      ILE  56  14.834  19.670  19.670
  370   2HD1  ILE  56          HD13      ILE  56  15.477  20.574  20.574
  371   3HD1  ILE  56          HD12      ILE  56  14.194  19.389  19.389
  372    HA   PRO  57           HA       PRO  57  13.358  13.881  13.881
  373   1HB   PRO  57           HB2      PRO  57  12.314  14.772  14.772
  374   2HB   PRO  57           HB1      PRO  57  13.052  13.212  13.212
  375   1HG   PRO  57           HG2      PRO  57  14.173  15.370  15.370
  376   2HG   PRO  57           HG1      PRO  57  14.907  13.805  13.805
  377   1HD   PRO  57           HD1      PRO  57  15.602  16.392  16.392
  378   2HD   PRO  57           HD2      PRO  57  16.351  14.824  14.824
  379    H    SER  58           HN       SER  58  11.214  14.397  14.397
  380    HA   SER  58           HA       SER  58  10.699  17.236  17.236
  381   1HB   SER  58           HB2      SER  58   9.343  16.469  16.469
  382   2HB   SER  58           HB1      SER  58   9.995  14.873  14.873
  383    HG   SER  58           HG       SER  58   8.298  14.596  14.596
  384    H    ASN  59           HN       ASN  59   9.819  14.884  14.884
  385    HA   ASN  59           HA       ASN  59   7.457  16.402  16.402
  386   1HB   ASN  59           HB2      ASN  59   8.735  13.803  13.803
  387   2HB   ASN  59           HB1      ASN  59   7.860  14.612  14.612
  388   1HD2  ASN  59          HD22      ASN  59   5.760  12.658  12.658
  389   2HD2  ASN  59          HD21      ASN  59   7.424  12.442  12.442
  390    H    TYR  60           HN       TYR  60  10.402  17.383  17.383
  391    HA   TYR  60           HA       TYR  60  10.304  18.244  18.244
  392   1HB   TYR  60           HB2      TYR  60  12.686  17.413  17.413
  393   2HB   TYR  60           HB1      TYR  60  12.855  18.366  18.366
  394    HD1  TYR  60           HD2      TYR  60  10.937  15.334  15.334
  395    HD2  TYR  60           HD1      TYR  60  13.298  17.134  17.134
  396    HE1  TYR  60           HE2      TYR  60  10.761  13.291  13.291
  397    HE2  TYR  60           HE1      TYR  60  13.124  15.091  15.091
  398    HH   TYR  60           HH       TYR  60  11.215  13.067  13.067
  399    H    VAL  61           HN       VAL  61  11.079  19.056  19.056
  400    HA   VAL  61           HA       VAL  61  11.532  21.884  21.884
  401    HB   VAL  61           HB       VAL  61  13.225  20.989  20.989
  402   1HG1  VAL  61          HG11      VAL  61  10.931  20.358  20.358
  403   2HG1  VAL  61          HG13      VAL  61  12.641  20.153  20.153
  404   3HG1  VAL  61          HG12      VAL  61  11.892  19.167  19.167
  405   1HG2  VAL  61          HG21      VAL  61  12.455  23.337  23.337
  406   2HG2  VAL  61          HG23      VAL  61  13.136  22.600  22.600
  407   3HG2  VAL  61          HG22      VAL  61  11.388  22.750  22.750
  408    H    ALA  62           HN       ALA  62  10.525  23.522  23.522
  409    HA   ALA  62           HA       ALA  62   7.986  22.667  22.667
  410   1HB   ALA  62           HB1      ALA  62   8.190  24.188  24.188
  411   2HB   ALA  62           HB3      ALA  62   6.987  24.745  24.745
  412   3HB   ALA  62           HB2      ALA  62   6.927  23.090  23.090
  413    HA   PRO  63           HA       PRO  63   9.129  25.825  25.825
  414   1HB   PRO  63           HB2      PRO  63   6.415  26.415  26.415
  415   2HB   PRO  63           HB1      PRO  63   7.563  25.393  25.393
  416   1HG   PRO  63           HG2      PRO  63   5.253  24.564  24.564
  417   2HG   PRO  63           HG1      PRO  63   6.376  23.547  23.547
  418   1HD   PRO  63           HD1      PRO  63   6.163  23.820  23.820
  419   2HD   PRO  63           HD2      PRO  63   7.297  22.807  22.807
  420    H    SER  64           HN       SER  64   9.778  27.759  27.759
  421    HA   SER  64           HA       SER  64   9.666  29.761  29.761
  422   1HB   SER  64           HB2      SER  64   7.734  31.204  31.204
  423   2HB   SER  64           HB1      SER  64   8.628  30.504  30.504
  424    HG   SER  64           HG       SER  64   6.063  30.271  30.271
  425   1H    ALA  71           HT3      ALA  71   9.473  18.704  18.704
  426   2H    ALA  71           HT2      ALA  71   8.201  19.723  19.723
  427   3H    ALA  71           HT1      ALA  71   8.135  18.926  18.926
  428    HA   ALA  71           HA       ALA  71   7.101  17.221  17.221
  429   1HB   ALA  71           HB3      ALA  71   7.571  18.785  18.785
  430   2HB   ALA  71           HB2      ALA  71   6.567  17.338  17.338
  431   3HB   ALA  71           HB1      ALA  71   6.114  18.781  18.781
  432    H    PHE  72           HN       PHE  72   7.439  15.249  15.249
  433    HA   PHE  72           HA       PHE  72  10.351  14.709  14.709
  434   1HB   PHE  72           HB2      PHE  72   8.299  13.234  13.234
  435   2HB   PHE  72           HB1      PHE  72   8.487  12.484  12.484
  436    HD1  PHE  72           HD2      PHE  72  10.804  11.693  11.693
  437    HD2  PHE  72           HD1      PHE  72   9.933  12.885  12.885
  438    HE1  PHE  72           HE2      PHE  72  12.816  10.527  10.527
  439    HE2  PHE  72           HE1      PHE  72  11.946  11.717  11.717
  440    HZ   PHE  72           HZ       PHE  72  13.390  10.539  10.539
  441    H    ALA  73           HN       ALA  73  11.264  14.102  14.102
  442    HA   ALA  73           HA       ALA  73   9.752  14.832  14.832
  443   1HB   ALA  73           HB3      ALA  73  12.361  15.017  15.017
  444   2HB   ALA  73           HB2      ALA  73  12.378  13.425  13.425
  445   3HB   ALA  73           HB1      ALA  73  11.784  14.824  14.824
  446    HA   PRO  74           HA       PRO  74   8.077  10.833  10.833
  447   1HB   PRO  74           HB2      PRO  74   8.063  11.341  11.341
  448   2HB   PRO  74           HB1      PRO  74   6.699  11.380  11.380
  449   1HG   PRO  74           HG2      PRO  74   7.989  13.621  13.621
  450   2HG   PRO  74           HG1      PRO  74   6.675  13.662  13.662
  451   1HD   PRO  74           HD1      PRO  74   9.459  14.367  14.367
  452   2HD   PRO  74           HD2      PRO  74   8.125  14.481  14.481
  453    HA   PRO  75           HA       PRO  75  11.464   8.282   8.282
  454   1HB   PRO  75           HB2      PRO  75   9.843   6.375   6.375
  455   2HB   PRO  75           HB1      PRO  75  10.492   6.245   6.245
  456   1HG   PRO  75           HG2      PRO  75   7.752   6.705   6.705
  457   2HG   PRO  75           HG1      PRO  75   8.404   6.586   6.586
  458   1HD   PRO  75           HD1      PRO  75   7.480   8.953   8.953
  459   2HD   PRO  75           HD2      PRO  75   8.131   8.831   8.831
  460    H    LEU  76           HN       LEU  76  12.884   8.382   8.382
  461    HA   LEU  76           HA       LEU  76  12.154   9.686   9.686
  462   1HB   LEU  76           HB2      LEU  76  14.598   7.981   7.981
  463   2HB   LEU  76           HB1      LEU  76  14.430   9.188   9.188
  464    HG   LEU  76           HG       LEU  76  14.408   9.685   9.685
  465   1HD1  LEU  76          HD12      LEU  76  16.305  10.339  10.339
  466   2HD1  LEU  76          HD11      LEU  76  16.348  11.208  11.208
  467   3HD1  LEU  76          HD13      LEU  76  16.653   9.471   9.471
  468   1HD2  LEU  76          HD21      LEU  76  13.972  11.611  11.611
  469   2HD2  LEU  76          HD23      LEU  76  12.750  11.111  11.111
  470   3HD2  LEU  76          HD22      LEU  76  14.134  12.068  12.068
  471    HA   PRO  77           HA       PRO  77  10.298   5.990   5.990
  472   1HB   PRO  77           HB2      PRO  77   9.948   7.434   7.434
  473   2HB   PRO  77           HB1      PRO  77   8.719   7.020   7.020
  474   1HG   PRO  77           HG2      PRO  77   9.862   9.618   9.618
  475   2HG   PRO  77           HG1      PRO  77   8.623   9.206   9.206
  476   1HD   PRO  77           HD1      PRO  77  11.386   9.891   9.891
  477   2HD   PRO  77           HD2      PRO  77  10.143   9.478   9.478
  478    H    ARG  78           HN       ARG  78  11.702   4.429   4.429
  479    HA   ARG  78           HA       ARG  78  14.235   4.743   4.743
  480   1HB   ARG  78           HB2      ARG  78  12.701   2.585   2.585
  481   2HB   ARG  78           HB1      ARG  78  12.648   2.532   2.532
  482   1HG   ARG  78           HG2      ARG  78  14.592   1.330   1.330
  483   2HG   ARG  78           HG1      ARG  78  15.264   2.957   2.957
  484   1HD   ARG  78           HD2      ARG  78  14.641   2.901   2.901
  485   2HD   ARG  78           HD1      ARG  78  14.950   1.185   1.185
  486    HE   ARG  78           HE       ARG  78  17.062   2.727   2.727
  487   1HH1  ARG  78          HH21      ARG  78  15.706   1.741   1.741
  488   2HH1  ARG  78          HH22      ARG  78  17.215   1.806   1.806
  489   1HH2  ARG  78          HH11      ARG  78  19.035   2.816   2.816
  490   2HH2  ARG  78          HH12      ARG  78  19.098   2.415   2.415
  491    H    ARG  79           HN       ARG  79  15.073   4.744   4.744
  492    HA   ARG  79           HA       ARG  79  13.595   6.378   6.378
  493   1HB   ARG  79           HB2      ARG  79  15.984   4.622   4.622
  494   2HB   ARG  79           HB1      ARG  79  15.462   6.062   6.062
  495   1HG   ARG  79           HG2      ARG  79  15.715   6.917   6.917
  496   2HG   ARG  79           HG1      ARG  79  17.103   5.857   5.857
  497   1HD   ARG  79           HD2      ARG  79  17.029   7.307   7.307
  498   2HD   ARG  79           HD1      ARG  79  16.536   8.502   8.502
  499    HE   ARG  79           HE       ARG  79  19.191   7.358   7.358
  500   1HH1  ARG  79          HH21      ARG  79  16.824   8.639   8.639
  501   2HH1  ARG  79          HH22      ARG  79  17.990   9.157   9.157
  502   1HH2  ARG  79          HH11      ARG  79  20.719   8.032   8.032
  503   2HH2  ARG  79          HH12      ARG  79  20.191   8.813   8.813

  Start of MODEL    4
    1   1H    THR   9           HT2      THR   9  14.084  27.121  27.121
    2   2H    THR   9           HT1      THR   9  13.459  28.430  28.430
    3   3H    THR   9           HT3      THR   9  15.134  28.297  28.297
    4    HA   THR   9           HA       THR   9  15.040  29.010  29.010
    5    HB   THR   9           HB       THR   9  12.461  30.326  30.326
    6    HG1  THR   9           HG1      THR   9  14.835  30.601  30.601
    7   1HG2  THR   9          HG22      THR   9  15.216  31.200  31.200
    8   2HG2  THR   9          HG21      THR   9  13.923  32.337  32.337
    9   3HG2  THR   9          HG23      THR   9  13.729  31.198  31.198
   10    H    PHE  10           HN       PHE  10  14.361  26.700  26.700
   11    HA   PHE  10           HA       PHE  10  11.587  26.722  26.722
   12   1HB   PHE  10           HB2      PHE  10  13.597  24.542  24.542
   13   2HB   PHE  10           HB1      PHE  10  12.258  24.270  24.270
   14    HD1  PHE  10           HD2      PHE  10  12.311  26.323  26.323
   15    HD2  PHE  10           HD1      PHE  10  10.809  22.813  22.813
   16    HE1  PHE  10           HE2      PHE  10  10.803  25.944  25.944
   17    HE2  PHE  10           HE1      PHE  10   9.294  22.446  22.446
   18    HZ   PHE  10           HZ       PHE  10   9.295  24.004  24.004
   19    H    VAL  11           HN       VAL  11  11.569  25.491  25.491
   20    HA   VAL  11           HA       VAL  11  13.831  26.535  26.535
   21    HB   VAL  11           HB       VAL  11  11.011  26.514  26.514
   22   1HG1  VAL  11          HG12      VAL  11  12.967  26.866  26.866
   23   2HG1  VAL  11          HG11      VAL  11  13.418  28.276  28.276
   24   3HG1  VAL  11          HG13      VAL  11  11.900  28.270  28.270
   25   1HG2  VAL  11          HG22      VAL  11  12.308  28.722  28.722
   26   2HG2  VAL  11          HG21      VAL  11  10.902  27.773  27.773
   27   3HG2  VAL  11          HG23      VAL  11  10.796  28.876  28.876
   28    H    ALA  12           HN       ALA  12  14.204  25.314  25.314
   29    HA   ALA  12           HA       ALA  12  13.419  22.480  22.480
   30   1HB   ALA  12           HB1      ALA  12  15.496  23.972  23.972
   31   2HB   ALA  12           HB3      ALA  12  15.004  22.372  22.372
   32   3HB   ALA  12           HB2      ALA  12  15.686  22.576  22.576
   33    H    LEU  13           HN       LEU  13  11.267  22.389  22.389
   34    HA   LEU  13           HA       LEU  13  10.276  23.711  23.711
   35   1HB   LEU  13           HB2      LEU  13   9.324  21.326  21.326
   36   2HB   LEU  13           HB1      LEU  13   8.462  21.895  21.895
   37    HG   LEU  13           HG       LEU  13   9.053  23.479  23.479
   38   1HD1  LEU  13          HD13      LEU  13   6.467  22.579  22.579
   39   2HD1  LEU  13          HD12      LEU  13   6.581  23.581  23.581
   40   3HD1  LEU  13          HD11      LEU  13   7.159  21.915  21.915
   41   1HD2  LEU  13          HD22      LEU  13   8.350  24.298  24.298
   42   2HD2  LEU  13          HD21      LEU  13   9.130  25.222  25.222
   43   3HD2  LEU  13          HD23      LEU  13   7.377  25.032  25.032
   44    H    TYR  14           HN       TYR  14  11.600  20.451  20.451
   45    HA   TYR  14           HA       TYR  14  11.775  20.189  20.189
   46   1HB   TYR  14           HB2      TYR  14  11.185  18.069  18.069
   47   2HB   TYR  14           HB1      TYR  14  11.590  17.703  17.703
   48    HD1  TYR  14           HD1      TYR  14   9.375  20.136  20.136
   49    HD2  TYR  14           HD2      TYR  14   9.732  17.322  17.322
   50    HE1  TYR  14           HE1      TYR  14   7.078  20.624  20.624
   51    HE2  TYR  14           HE2      TYR  14   7.415  17.774  17.774
   52    HH   TYR  14           HH       TYR  14   5.358  18.653  18.653
   53    H    ASP  15           HN       ASP  15  13.774  19.562  19.562
   54    HA   ASP  15           HA       ASP  15  16.131  19.997  19.997
   55   1HB   ASP  15           HB2      ASP  15  15.950  17.875  17.875
   56   2HB   ASP  15           HB1      ASP  15  17.296  18.959  18.959
   57    H    TYR  16           HN       TYR  16  17.827  18.038  18.038
   58    HA   TYR  16           HA       TYR  16  16.571  15.613  15.613
   59   1HB   TYR  16           HB2      TYR  16  16.350  17.115  17.115
   60   2HB   TYR  16           HB1      TYR  16  18.052  17.562  17.562
   61    HD1  TYR  16           HD1      TYR  16  15.932  14.480  14.480
   62    HD2  TYR  16           HD2      TYR  16  19.570  16.394  16.394
   63    HE1  TYR  16           HE1      TYR  16  16.532  12.550  12.550
   64    HE2  TYR  16           HE2      TYR  16  20.172  14.461  14.461
   65    HH   TYR  16           HH       TYR  16  18.476  12.483  12.483
   66    H    GLU  17           HN       GLU  17  17.884  14.012  14.012
   67    HA   GLU  17           HA       GLU  17  20.795  14.612  14.612
   68   1HB   GLU  17           HB2      GLU  17  20.555  12.358  12.358
   69   2HB   GLU  17           HB1      GLU  17  20.153  13.920  13.920
   70   1HG   GLU  17           HG2      GLU  17  18.052  12.345  12.345
   71   2HG   GLU  17           HG1      GLU  17  18.430  11.964  11.964
   72    H    SER  18           HN       SER  18  21.252  14.143  14.143
   73    HA   SER  18           HA       SER  18  20.493  12.000  12.000
   74   1HB   SER  18           HB2      SER  18  23.420  12.454  12.454
   75   2HB   SER  18           HB1      SER  18  22.284  12.524  12.524
   76    HG   SER  18           HG       SER  18  23.185  14.510  14.510
   77    H    ARG  19           HN       ARG  19  21.724   9.934   9.934
   78    HA   ARG  19           HA       ARG  19  22.748   8.731   8.731
   79   1HB   ARG  19           HB2      ARG  19  20.503   7.961   7.961
   80   2HB   ARG  19           HB1      ARG  19  21.727   6.695   6.695
   81   1HG   ARG  19           HG2      ARG  19  21.879   7.042   7.042
   82   2HG   ARG  19           HG1      ARG  19  20.269   7.734   7.734
   83   1HD   ARG  19           HD2      ARG  19  21.176   4.948   4.948
   84   2HD   ARG  19           HD1      ARG  19  19.987   5.382   5.382
   85    HE   ARG  19           HE       ARG  19  18.927   6.464   6.464
   86   1HH1  ARG  19          HH21      ARG  19  20.169   3.374   3.374
   87   2HH1  ARG  19          HH22      ARG  19  19.125   2.496   2.496
   88   1HH2  ARG  19          HH11      ARG  19  17.565   5.328   5.328
   89   2HH2  ARG  19          HH12      ARG  19  17.653   3.600   3.600
   90    H    THR  20           HN       THR  20  22.978   8.880   8.880
   91    HA   THR  20           HA       THR  20  25.429   7.192   7.192
   92    HB   THR  20           HB       THR  20  24.693   8.107   8.107
   93    HG1  THR  20           HG1      THR  20  22.729   6.668   6.668
   94   1HG2  THR  20          HG23      THR  20  25.852   5.912   5.912
   95   2HG2  THR  20          HG22      THR  20  24.252   5.295   5.295
   96   3HG2  THR  20          HG21      THR  20  25.280   5.973   5.973
   97    H    GLU  21           HN       GLU  21  27.071   8.076   8.076
   98    HA   GLU  21           HA       GLU  21  27.799  10.786  10.786
   99   1HB   GLU  21           HB2      GLU  21  29.221   8.466   8.466
  100   2HB   GLU  21           HB1      GLU  21  29.637   9.846   9.846
  101   1HG   GLU  21           HG2      GLU  21  30.605  11.010  11.010
  102   2HG   GLU  21           HG1      GLU  21  29.537  10.300  10.300
  103    H    THR  22           HN       THR  22  25.496  10.833  10.833
  104    HA   THR  22           HA       THR  22  26.528  12.148  12.148
  105    HB   THR  22           HB       THR  22  23.921  10.617  10.617
  106    HG1  THR  22           HG1      THR  22  26.232   9.744   9.744
  107   1HG2  THR  22          HG21      THR  22  24.604  12.532  12.532
  108   2HG2  THR  22          HG23      THR  22  25.392  11.160  11.160
  109   3HG2  THR  22          HG22      THR  22  23.656  11.121  11.121
  110    H    ASP  23           HN       ASP  23  23.387  11.783  11.783
  111    HA   ASP  23           HA       ASP  23  22.672  14.541  14.541
  112   1HB   ASP  23           HB2      ASP  23  21.305  13.001  13.001
  113   2HB   ASP  23           HB1      ASP  23  20.611  14.026  14.026
  114    H    LEU  24           HN       LEU  24  22.873  16.316  16.316
  115    HA   LEU  24           HA       LEU  24  24.615  15.989  15.989
  116   1HB   LEU  24           HB2      LEU  24  23.467  18.576  18.576
  117   2HB   LEU  24           HB1      LEU  24  24.918  18.353  18.353
  118    HG   LEU  24           HG       LEU  24  25.042  16.779  16.779
  119   1HD1  LEU  24          HD11      LEU  24  24.757  19.787  19.787
  120   2HD1  LEU  24          HD13      LEU  24  25.244  18.680  18.680
  121   3HD1  LEU  24          HD12      LEU  24  23.616  18.590  18.590
  122   1HD2  LEU  24          HD23      LEU  24  26.897  17.517  17.517
  123   2HD2  LEU  24          HD22      LEU  24  27.230  17.735  17.735
  124   3HD2  LEU  24          HD21      LEU  24  26.756  19.116  19.116
  125    H    SER  25           HN       SER  25  23.976  17.271  17.271
  126    HA   SER  25           HA       SER  25  21.098  16.761  16.761
  127   1HB   SER  25           HB2      SER  25  22.532  17.562  17.562
  128   2HB   SER  25           HB1      SER  25  21.874  15.972  15.972
  129    HG   SER  25           HG       SER  25  24.406  16.687  16.687
  130    H    PHE  26           HN       PHE  26  19.738  18.433  18.433
  131    HA   PHE  26           HA       PHE  26  20.953  21.131  21.131
  132   1HB   PHE  26           HB2      PHE  26  19.255  22.132  22.132
  133   2HB   PHE  26           HB1      PHE  26  20.204  20.942  20.942
  134    HD1  PHE  26           HD2      PHE  26  16.958  21.573  21.573
  135    HD2  PHE  26           HD1      PHE  26  19.173  18.903  18.903
  136    HE1  PHE  26           HE2      PHE  26  14.888  20.362  20.362
  137    HE2  PHE  26           HE1      PHE  26  17.103  17.702  17.702
  138    HZ   PHE  26           HZ       PHE  26  14.961  18.431  18.431
  139    H    LYS  27           HN       LYS  27  20.075  22.200  22.200
  140    HA   LYS  27           HA       LYS  27  17.950  20.905  20.905
  141   1HB   LYS  27           HB2      LYS  27  19.353  23.560  23.560
  142   2HB   LYS  27           HB1      LYS  27  18.318  22.738  22.738
  143   1HG   LYS  27           HG2      LYS  27  20.074  20.743  20.743
  144   2HG   LYS  27           HG1      LYS  27  21.111  22.162  22.162
  145   1HD   LYS  27           HD2      LYS  27  20.799  22.786  22.786
  146   2HD   LYS  27           HD1      LYS  27  19.316  21.845  21.845
  147   1HE   LYS  27           HE2      LYS  27  22.163  20.836  20.836
  148   2HE   LYS  27           HE1      LYS  27  20.964  20.585  20.585
  149   1HZ   LYS  27           HZ3      LYS  27  19.669  19.535  19.535
  150   2HZ   LYS  27           HZ2      LYS  27  21.254  19.251  19.251
  151   3HZ   LYS  27           HZ1      LYS  27  20.742  18.628  18.628
  152    H    LYS  28           HN       LYS  28  16.407  22.888  22.888
  153    HA   LYS  28           HA       LYS  28  14.692  23.552  23.552
  154   1HB   LYS  28           HB2      LYS  28  13.571  22.869  22.869
  155   2HB   LYS  28           HB1      LYS  28  14.474  24.029  24.029
  156   1HG   LYS  28           HG2      LYS  28  13.411  25.871  25.871
  157   2HG   LYS  28           HG1      LYS  28  12.385  24.642  24.642
  158   1HD   LYS  28           HD2      LYS  28  11.650  23.981  23.981
  159   2HD   LYS  28           HD1      LYS  28  12.520  25.391  25.391
  160   1HE   LYS  28           HE2      LYS  28  10.314  26.183  26.183
  161   2HE   LYS  28           HE1      LYS  28  11.138  26.727  26.727
  162   1HZ   LYS  28           HZ2      LYS  28   9.602  24.197  24.197
  163   2HZ   LYS  28           HZ1      LYS  28   8.965  25.648  25.648
  164   3HZ   LYS  28           HZ3      LYS  28  10.258  24.890  24.890
  165    H    GLY  29           HN       GLY  29  14.279  25.636  25.636
  166   1HA   GLY  29           HA2      GLY  29  14.449  28.049  28.049
  167   2HA   GLY  29           HA1      GLY  29  15.741  27.905  27.905
  168    H    GLU  30           HN       GLU  30  16.809  25.637  25.637
  169    HA   GLU  30           HA       GLU  30  18.636  27.373  27.373
  170   1HB   GLU  30           HB2      GLU  30  19.386  25.229  25.229
  171   2HB   GLU  30           HB1      GLU  30  18.322  24.356  24.356
  172   1HG   GLU  30           HG2      GLU  30  19.638  24.808  24.808
  173   2HG   GLU  30           HG1      GLU  30  20.252  26.317  26.317
  174    H    ARG  31           HN       ARG  31  18.356  28.071  28.071
  175    HA   ARG  31           HA       ARG  31  16.022  27.099  27.099
  176   1HB   ARG  31           HB2      ARG  31  18.040  29.166  29.166
  177   2HB   ARG  31           HB1      ARG  31  16.368  28.979  28.979
  178   1HG   ARG  31           HG2      ARG  31  15.605  29.543  29.543
  179   2HG   ARG  31           HG1      ARG  31  17.283  29.791  29.791
  180   1HD   ARG  31           HD2      ARG  31  16.926  31.949  31.949
  181   2HD   ARG  31           HD1      ARG  31  17.112  31.341  31.341
  182    HE   ARG  31           HE       ARG  31  14.382  31.072  31.072
  183   1HH1  ARG  31          HH21      ARG  31  16.761  33.223  33.223
  184   2HH1  ARG  31          HH22      ARG  31  15.598  34.277  34.277
  185   1HH2  ARG  31          HH11      ARG  31  12.858  32.442  32.442
  186   2HH2  ARG  31          HH12      ARG  31  13.393  33.837  33.837
  187    H    LEU  32           HN       LEU  32  16.220  26.224  26.224
  188    HA   LEU  32           HA       LEU  32  18.950  25.346  25.346
  189   1HB   LEU  32           HB2      LEU  32  16.529  23.531  23.531
  190   2HB   LEU  32           HB1      LEU  32  18.082  23.067  23.067
  191    HG   LEU  32           HG       LEU  32  18.621  24.238  24.238
  192   1HD1  LEU  32          HD12      LEU  32  16.309  22.288  22.288
  193   2HD1  LEU  32          HD11      LEU  32  17.332  22.516  22.516
  194   3HD1  LEU  32          HD13      LEU  32  16.390  23.865  23.865
  195   1HD2  LEU  32          HD22      LEU  32  19.823  22.400  22.400
  196   2HD2  LEU  32          HD21      LEU  32  19.632  22.107  22.107
  197   3HD2  LEU  32          HD23      LEU  32  18.573  21.296  21.296
  198    H    GLN  33           HN       GLN  33  19.049  24.742  24.742
  199    HA   GLN  33           HA       GLN  33  16.879  26.076  26.076
  200   1HB   GLN  33           HB2      GLN  33  19.267  26.973  26.973
  201   2HB   GLN  33           HB1      GLN  33  19.681  25.477  25.477
  202   1HG   GLN  33           HG2      GLN  33  17.602  26.092  26.092
  203   2HG   GLN  33           HG1      GLN  33  17.900  27.722  27.722
  204   1HE2  GLN  33          HE22      GLN  33  21.272  27.749  27.749
  205   2HE2  GLN  33          HE21      GLN  33  20.568  28.072  28.072
  206    H    ILE  34           HN       ILE  34  15.491  24.366  24.366
  207    HA   ILE  34           HA       ILE  34  15.996  21.687  21.687
  208    HB   ILE  34           HB       ILE  34  14.133  23.344  23.344
  209   1HG1  ILE  34          HG12      ILE  34  13.637  23.878  23.878
  210   2HG1  ILE  34          HG11      ILE  34  12.453  22.667  22.667
  211   1HG2  ILE  34          HG22      ILE  34  14.337  20.416  20.416
  212   2HG2  ILE  34          HG21      ILE  34  12.811  21.125  21.125
  213   3HG2  ILE  34          HG23      ILE  34  14.214  21.147  21.147
  214   1HD1  ILE  34          HD12      ILE  34  14.432  21.046  21.046
  215   2HD1  ILE  34          HD11      ILE  34  14.692  22.447  22.447
  216   3HD1  ILE  34          HD13      ILE  34  13.127  21.633  21.633
  217    H    VAL  35           HN       VAL  35  16.522  20.384  20.384
  218    HA   VAL  35           HA       VAL  35  18.179  21.848  21.848
  219    HB   VAL  35           HB       VAL  35  18.174  18.949  18.949
  220   1HG1  VAL  35          HG13      VAL  35  19.384  20.334  20.334
  221   2HG1  VAL  35          HG12      VAL  35  20.360  19.118  19.118
  222   3HG1  VAL  35          HG11      VAL  35  18.793  18.679  18.679
  223   1HG2  VAL  35          HG23      VAL  35  19.360  21.151  21.151
  224   2HG2  VAL  35          HG22      VAL  35  19.951  19.497  19.497
  225   3HG2  VAL  35          HG21      VAL  35  20.636  20.563  20.563
  226    H    ASN  36           HN       ASN  36  15.727  19.279  19.279
  227    HA   ASN  36           HA       ASN  36  14.492  20.130  20.130
  228   1HB   ASN  36           HB2      ASN  36  16.682  18.404  18.404
  229   2HB   ASN  36           HB1      ASN  36  15.269  17.360  17.360
  230   1HD2  ASN  36          HD22      ASN  36  16.238  19.715  19.715
  231   2HD2  ASN  36          HD21      ASN  36  17.281  19.399  19.399
  232    H    ASN  37           HN       ASN  37  14.909  16.991  16.991
  233    HA   ASN  37           HA       ASN  37  12.353  15.979  15.979
  234   1HB   ASN  37           HB2      ASN  37  14.274  15.914  15.914
  235   2HB   ASN  37           HB1      ASN  37  12.736  15.056  15.056
  236   1HD2  ASN  37          HD22      ASN  37  14.811  13.765  13.765
  237   2HD2  ASN  37          HD21      ASN  37  14.254  15.363  15.363
  238    H    THR  38           HN       THR  38  10.376  16.765  16.765
  239    HA   THR  38           HA       THR  38  10.095  18.505  18.505
  240    HB   THR  38           HB       THR  38  10.221  20.092  20.092
  241    HG1  THR  38           HG1      THR  38   7.784  20.560  20.560
  242   1HG2  THR  38          HG23      THR  38   9.294  17.972  17.972
  243   2HG2  THR  38          HG22      THR  38   7.968  19.134  19.134
  244   3HG2  THR  38          HG21      THR  38   9.581  19.620  19.620
  245    H    GLU  39           HN       GLU  39   9.241  15.714  15.714
  246    HA   GLU  39           HA       GLU  39   6.412  15.648  15.648
  247   1HB   GLU  39           HB2      GLU  39   8.579  13.722  13.722
  248   2HB   GLU  39           HB1      GLU  39   7.206  13.201  13.201
  249   1HG   GLU  39           HG2      GLU  39   5.747  13.787  13.787
  250   2HG   GLU  39           HG1      GLU  39   7.253  13.871  13.871
  251    H    GLY  40           HN       GLY  40   7.992  13.946  13.946
  252   1HA   GLY  40           HA2      GLY  40   7.292  15.550  15.550
  253   2HA   GLY  40           HA1      GLY  40   5.846  14.612  14.612
  254    H    ASP  41           HN       ASP  41   9.171  13.484  13.484
  255    HA   ASP  41           HA       ASP  41   8.728  11.596  11.596
  256   1HB   ASP  41           HB2      ASP  41  10.289  10.710  10.710
  257   2HB   ASP  41           HB1      ASP  41   9.358   9.747   9.747
  258    H    TRP  42           HN       TRP  42  11.426  12.175  12.175
  259    HA   TRP  42           HA       TRP  42  13.049  13.197  13.197
  260   1HB   TRP  42           HB2      TRP  42  13.638  10.732  10.732
  261   2HB   TRP  42           HB1      TRP  42  14.935  11.649  11.649
  262    HD1  TRP  42           HD1      TRP  42  12.048   9.268   9.268
  263    HE1  TRP  42           HE1      TRP  42  12.170   8.810   8.810
  264    HE3  TRP  42           HE3      TRP  42  15.517  12.585  12.585
  265    HZ2  TRP  42           HZ2      TRP  42  13.652   9.802   9.802
  266    HZ3  TRP  42           HZ3      TRP  42  16.316  12.865  12.865
  267    HH2  TRP  42           HH2      TRP  42  15.382  11.472  11.472
  268    H    TRP  43           HN       TRP  43  13.628  15.156  15.156
  269    HA   TRP  43           HA       TRP  43  14.403  15.313  15.313
  270   1HB   TRP  43           HB2      TRP  43  13.749  17.598  17.598
  271   2HB   TRP  43           HB1      TRP  43  13.900  17.666  17.666
  272    HD1  TRP  43           HD1      TRP  43  12.227  14.663  14.663
  273    HE1  TRP  43           HE1      TRP  43   9.721  14.958  14.958
  274    HE3  TRP  43           HE3      TRP  43  12.045  19.239  19.239
  275    HZ2  TRP  43           HZ2      TRP  43   7.769  16.994  16.994
  276    HZ3  TRP  43           HZ3      TRP  43   9.922  20.380  20.380
  277    HH2  TRP  43           HH2      TRP  43   7.784  19.258  19.258
  278    H    LEU  44           HN       LEU  44  16.225  16.813  16.813
  279    HA   LEU  44           HA       LEU  44  18.315  16.638  16.638
  280   1HB   LEU  44           HB2      LEU  44  18.760  15.305  15.305
  281   2HB   LEU  44           HB1      LEU  44  18.679  16.792  16.792
  282    HG   LEU  44           HG       LEU  44  20.477  17.622  17.622
  283   1HD1  LEU  44          HD11      LEU  44  20.108  15.161  15.161
  284   2HD1  LEU  44          HD13      LEU  44  21.400  14.796  14.796
  285   3HD1  LEU  44          HD12      LEU  44  21.647  16.013  16.013
  286   1HD2  LEU  44          HD21      LEU  44  20.617  16.202  16.202
  287   2HD2  LEU  44          HD23      LEU  44  21.464  17.659  17.659
  288   3HD2  LEU  44          HD22      LEU  44  22.107  16.070  16.070
  289    H    ALA  45           HN       ALA  45  18.734  18.602  18.602
  290    HA   ALA  45           HA       ALA  45  18.389  21.011  21.011
  291   1HB   ALA  45           HB2      ALA  45  17.141  20.454  20.454
  292   2HB   ALA  45           HB1      ALA  45  18.482  21.494  21.494
  293   3HB   ALA  45           HB3      ALA  45  17.314  22.057  22.057
  294    H    HIS  46           HN       HIS  46  19.861  22.858  22.858
  295    HA   HIS  46           HA       HIS  46  22.548  21.766  21.766
  296   1HB   HIS  46           HB2      HIS  46  22.846  22.582  22.582
  297   2HB   HIS  46           HB1      HIS  46  21.623  23.833  23.833
  298    HD1  HIS  46           HD1      HIS  46  25.147  23.167  23.167
  299    HD2  HIS  46           HD2      HIS  46  22.553  26.299  26.299
  300    HE1  HIS  46           HE1      HIS  46  26.493  25.139  25.139
  301    H    SER  47           HN       SER  47  23.301  22.438  22.438
  302    HA   SER  47           HA       SER  47  21.896  24.378  24.378
  303   1HB   SER  47           HB2      SER  47  24.677  23.210  23.210
  304   2HB   SER  47           HB1      SER  47  23.796  24.107  24.107
  305    HG   SER  47           HG       SER  47  22.740  21.811  21.811
  306    H    LEU  48           HN       LEU  48  22.475  26.528  26.528
  307    HA   LEU  48           HA       LEU  48  24.316  27.775  27.775
  308   1HB   LEU  48           HB2      LEU  48  22.268  29.017  29.017
  309   2HB   LEU  48           HB1      LEU  48  23.239  29.900  29.900
  310    HG   LEU  48           HG       LEU  48  21.579  27.555  27.555
  311   1HD1  LEU  48          HD13      LEU  48  20.617  30.161  30.161
  312   2HD1  LEU  48          HD12      LEU  48  20.016  29.725  29.725
  313   3HD1  LEU  48          HD11      LEU  48  19.738  28.650  28.650
  314   1HD2  LEU  48          HD23      LEU  48  23.024  29.855  29.855
  315   2HD2  LEU  48          HD22      LEU  48  22.740  28.243  28.243
  316   3HD2  LEU  48          HD21      LEU  48  21.473  29.467  29.467
  317    H    THR  49           HN       THR  49  24.315  26.722  26.722
  318    HA   THR  49           HA       THR  49  25.846  28.830  28.830
  319    HB   THR  49           HB       THR  49  25.655  25.880  25.880
  320    HG1  THR  49           HG1      THR  49  23.803  26.465  26.465
  321   1HG2  THR  49          HG22      THR  49  27.527  27.718  27.718
  322   2HG2  THR  49          HG21      THR  49  26.272  27.768  27.768
  323   3HG2  THR  49          HG23      THR  49  27.051  26.238  26.238
  324    H    THR  50           HN       THR  50  27.052  25.532  25.532
  325    HA   THR  50           HA       THR  50  29.749  26.660  26.660
  326    HB   THR  50           HB       THR  50  29.874  23.934  23.934
  327    HG1  THR  50           HG1      THR  50  28.103  24.371  24.371
  328   1HG2  THR  50          HG21      THR  50  30.183  25.459  25.459
  329   2HG2  THR  50          HG23      THR  50  30.747  23.807  23.807
  330   3HG2  THR  50          HG22      THR  50  31.443  25.125  25.125
  331    H    GLY  51           HN       GLY  51  27.891  24.222  24.222
  332   1HA   GLY  51           HA2      GLY  51  27.401  25.174  25.174
  333   2HA   GLY  51           HA1      GLY  51  29.158  25.312  25.312
  334    H    GLN  52           HN       GLN  52  26.656  22.873  22.873
  335    HA   GLN  52           HA       GLN  52  28.156  20.926  20.926
  336   1HB   GLN  52           HB2      GLN  52  27.168  20.223  20.223
  337   2HB   GLN  52           HB1      GLN  52  28.160  19.233  19.233
  338   1HG   GLN  52           HG2      GLN  52  29.687  21.485  21.485
  339   2HG   GLN  52           HG1      GLN  52  28.945  21.477  21.477
  340   1HE2  GLN  52          HE22      GLN  52  31.468  19.201  19.201
  341   2HE2  GLN  52          HE21      GLN  52  30.742  20.715  20.715
  342    H    THR  53           HN       THR  53  26.733  18.807  18.807
  343    HA   THR  53           HA       THR  53  23.901  19.696  19.696
  344    HB   THR  53           HB       THR  53  25.519  17.556  17.556
  345    HG1  THR  53           HG1      THR  53  24.138  19.686  19.686
  346   1HG2  THR  53          HG23      THR  53  22.609  17.975  17.975
  347   2HG2  THR  53          HG22      THR  53  23.175  17.765  17.765
  348   3HG2  THR  53          HG21      THR  53  23.500  16.520  16.520
  349    H    GLY  54           HN       GLY  54  22.235  18.228  18.228
  350   1HA   GLY  54           HA2      GLY  54  22.977  15.739  15.739
  351   2HA   GLY  54           HA1      GLY  54  22.440  17.011  17.011
  352    H    TYR  55           HN       TYR  55  21.212  14.365  14.365
  353    HA   TYR  55           HA       TYR  55  18.773  15.223  15.223
  354   1HB   TYR  55           HB2      TYR  55  19.908  12.634  12.634
  355   2HB   TYR  55           HB1      TYR  55  18.164  12.735  12.735
  356    HD1  TYR  55           HD2      TYR  55  17.251  13.335  13.335
  357    HD2  TYR  55           HD1      TYR  55  21.403  12.628  12.628
  358    HE1  TYR  55           HE2      TYR  55  17.559  13.100  13.100
  359    HE2  TYR  55           HE1      TYR  55  21.710  12.388  12.388
  360    HH   TYR  55           HH       TYR  55  20.143  11.707  11.707
  361    H    ILE  56           HN       ILE  56  17.678  16.643  16.643
  362    HA   ILE  56           HA       ILE  56  17.201  15.822  15.822
  363    HB   ILE  56           HB       ILE  56  16.124  17.994  17.994
  364   1HG1  ILE  56          HG12      ILE  56  16.290  19.423  19.423
  365   2HG1  ILE  56          HG11      ILE  56  16.104  17.830  17.830
  366   1HG2  ILE  56          HG21      ILE  56  18.704  17.718  17.718
  367   2HG2  ILE  56          HG23      ILE  56  18.483  18.492  18.492
  368   3HG2  ILE  56          HG22      ILE  56  18.028  19.345  19.345
  369   1HD1  ILE  56          HD13      ILE  56  14.258  18.223  18.223
  370   2HD1  ILE  56          HD12      ILE  56  14.045  19.444  19.444
  371   3HD1  ILE  56          HD11      ILE  56  13.919  17.732  17.732
  372    HA   PRO  57           HA       PRO  57  13.404  13.777  13.777
  373   1HB   PRO  57           HB2      PRO  57  12.222  14.613  14.613
  374   2HB   PRO  57           HB1      PRO  57  12.986  13.063  13.063
  375   1HG   PRO  57           HG2      PRO  57  14.011  15.211  15.211
  376   2HG   PRO  57           HG1      PRO  57  14.746  13.635  13.635
  377   1HD   PRO  57           HD1      PRO  57  15.572  16.199  16.199
  378   2HD   PRO  57           HD2      PRO  57  16.289  14.611  14.611
  379    H    SER  58           HN       SER  58  11.113  14.304  14.304
  380    HA   SER  58           HA       SER  58  10.755  17.161  17.161
  381   1HB   SER  58           HB2      SER  58   8.447  16.007  16.007
  382   2HB   SER  58           HB1      SER  58   9.910  16.001  16.001
  383    HG   SER  58           HG       SER  58   8.715  13.956  13.956
  384    H    ASN  59           HN       ASN  59   9.973  15.040  15.040
  385    HA   ASN  59           HA       ASN  59   7.521  16.478  16.478
  386   1HB   ASN  59           HB2      ASN  59   7.635  14.913  14.913
  387   2HB   ASN  59           HB1      ASN  59   7.539  14.103  14.103
  388   1HD2  ASN  59          HD21      ASN  59   8.625  12.205  12.205
  389   2HD2  ASN  59          HD22      ASN  59  10.303  12.234  12.234
  390    H    TYR  60           HN       TYR  60  10.843  16.940  16.940
  391    HA   TYR  60           HA       TYR  60  10.470  18.404  18.404
  392   1HB   TYR  60           HB2      TYR  60  12.963  17.365  17.365
  393   2HB   TYR  60           HB1      TYR  60  12.997  18.396  18.396
  394    HD1  TYR  60           HD2      TYR  60  10.090  16.626  16.626
  395    HD2  TYR  60           HD1      TYR  60  14.291  15.953  15.953
  396    HE1  TYR  60           HE2      TYR  60   9.768  14.658  14.658
  397    HE2  TYR  60           HE1      TYR  60  13.965  13.985  13.985
  398    HH   TYR  60           HH       TYR  60  10.938  13.269  13.269
  399    H    VAL  61           HN       VAL  61   9.979  19.209  19.209
  400    HA   VAL  61           HA       VAL  61  11.292  21.865  21.865
  401    HB   VAL  61           HB       VAL  61  12.708  20.746  20.746
  402   1HG1  VAL  61          HG13      VAL  61  10.351  19.330  19.330
  403   2HG1  VAL  61          HG12      VAL  61  10.827  20.180  20.180
  404   3HG1  VAL  61          HG11      VAL  61  11.959  19.081  19.081
  405   1HG2  VAL  61          HG22      VAL  61  12.005  23.075  23.075
  406   2HG2  VAL  61          HG21      VAL  61  12.431  22.115  22.115
  407   3HG2  VAL  61          HG23      VAL  61  10.738  22.399  22.399
  408    H    ALA  62           HN       ALA  62  10.278  23.495  23.495
  409    HA   ALA  62           HA       ALA  62   7.724  22.982  22.982
  410   1HB   ALA  62           HB2      ALA  62   7.669  24.296  24.296
  411   2HB   ALA  62           HB1      ALA  62   6.294  24.171  24.171
  412   3HB   ALA  62           HB3      ALA  62   7.000  22.714  22.714
  413    HA   PRO  63           HA       PRO  63   8.905  26.798  26.798
  414   1HB   PRO  63           HB2      PRO  63   6.190  27.453  27.453
  415   2HB   PRO  63           HB1      PRO  63   7.450  26.790  26.790
  416   1HG   PRO  63           HG2      PRO  63   5.128  25.432  25.432
  417   2HG   PRO  63           HG1      PRO  63   6.397  24.763  24.763
  418   1HD   PRO  63           HD1      PRO  63   5.941  24.256  24.256
  419   2HD   PRO  63           HD2      PRO  63   7.196  23.563  23.563
  420    H    SER  64           HN       SER  64   9.174  28.822  28.822
  421    HA   SER  64           HA       SER  64   7.092  30.319  30.319
  422   1HB   SER  64           HB2      SER  64   7.896  28.325  28.325
  423   2HB   SER  64           HB1      SER  64   9.064  29.573  29.573
  424    HG   SER  64           HG       SER  64   6.343  30.213  30.213
  425   1H    ALA  71           HT3      ALA  71  15.849  17.183  17.183
  426   2H    ALA  71           HT2      ALA  71  15.517  18.846  18.846
  427   3H    ALA  71           HT1      ALA  71  15.462  17.883  17.883
  428    HA   ALA  71           HA       ALA  71  13.296  17.645  17.645
  429   1HB   ALA  71           HB3      ALA  71  13.851  18.769  18.769
  430   2HB   ALA  71           HB2      ALA  71  12.238  18.464  18.464
  431   3HB   ALA  71           HB1      ALA  71  13.277  19.667  19.667
  432    H    PHE  72           HN       PHE  72  11.998  15.890  15.890
  433    HA   PHE  72           HA       PHE  72  13.386  13.749  13.749
  434   1HB   PHE  72           HB2      PHE  72  12.314  13.015  13.015
  435   2HB   PHE  72           HB1      PHE  72  10.822  13.866  13.866
  436    HD1  PHE  72           HD1      PHE  72  12.905  10.918  10.918
  437    HD2  PHE  72           HD2      PHE  72   9.269  12.947  12.947
  438    HE1  PHE  72           HE1      PHE  72  12.074   8.920   8.920
  439    HE2  PHE  72           HE2      PHE  72   8.445  10.948  10.948
  440    HZ   PHE  72           HZ       PHE  72   9.846   8.933   8.933
  441    H    ALA  73           HN       ALA  73  13.181  13.800  13.800
  442    HA   ALA  73           HA       ALA  73  10.767  14.982  14.982
  443   1HB   ALA  73           HB3      ALA  73  13.491  14.664  14.664
  444   2HB   ALA  73           HB2      ALA  73  12.505  13.767  13.767
  445   3HB   ALA  73           HB1      ALA  73  12.202  15.483  15.483
  446    HA   PRO  74           HA       PRO  74   8.574  11.286  11.286
  447   1HB   PRO  74           HB2      PRO  74   8.084  11.857  11.857
  448   2HB   PRO  74           HB1      PRO  74   6.968  12.009  12.009
  449   1HG   PRO  74           HG2      PRO  74   8.228  14.138  14.138
  450   2HG   PRO  74           HG1      PRO  74   7.192  14.283  14.283
  451   1HD   PRO  74           HD1      PRO  74  10.058  14.670  14.670
  452   2HD   PRO  74           HD2      PRO  74   9.005  14.888  14.888
  453    HA   PRO  75           HA       PRO  75  11.267   8.324   8.324
  454   1HB   PRO  75           HB2      PRO  75   9.217   6.774   6.774
  455   2HB   PRO  75           HB1      PRO  75  10.015   6.450   6.450
  456   1HG   PRO  75           HG2      PRO  75   7.312   7.392   7.392
  457   2HG   PRO  75           HG1      PRO  75   8.090   7.013   7.013
  458   1HD   PRO  75           HD1      PRO  75   7.435   9.613   9.613
  459   2HD   PRO  75           HD2      PRO  75   8.271   9.235   9.235
  460    H    LEU  76           HN       LEU  76  12.485   8.845   8.845
  461    HA   LEU  76           HA       LEU  76  11.468  10.160  10.160
  462   1HB   LEU  76           HB2      LEU  76  14.032   8.694   8.694
  463   2HB   LEU  76           HB1      LEU  76  13.715   9.322   9.322
  464    HG   LEU  76           HG       LEU  76  13.648  10.964  10.964
  465   1HD1  LEU  76          HD12      LEU  76  15.719  10.603  10.603
  466   2HD1  LEU  76          HD11      LEU  76  15.678  12.045  12.045
  467   3HD1  LEU  76          HD13      LEU  76  15.930  10.460  10.460
  468   1HD2  LEU  76          HD21      LEU  76  13.049  11.514  11.514
  469   2HD2  LEU  76          HD23      LEU  76  12.220  12.099  12.099
  470   3HD2  LEU  76          HD22      LEU  76  13.774  12.793  12.793
  471    HA   PRO  77           HA       PRO  77   9.597   6.795   6.795
  472   1HB   PRO  77           HB2      PRO  77  10.099   7.999   7.999
  473   2HB   PRO  77           HB1      PRO  77   8.592   8.009   8.009
  474   1HG   PRO  77           HG2      PRO  77  10.416  10.208  10.208
  475   2HG   PRO  77           HG1      PRO  77   8.899  10.224  10.224
  476   1HD   PRO  77           HD1      PRO  77  11.588  10.326  10.326
  477   2HD   PRO  77           HD2      PRO  77  10.064  10.352  10.352
  478    H    ARG  78           HN       ARG  78  10.208   5.336   5.336
  479    HA   ARG  78           HA       ARG  78  13.054   4.657   4.657
  480   1HB   ARG  78           HB2      ARG  78  12.448   2.551   2.551
  481   2HB   ARG  78           HB1      ARG  78  10.819   3.112   3.112
  482   1HG   ARG  78           HG2      ARG  78  10.689   3.870   3.870
  483   2HG   ARG  78           HG1      ARG  78  12.179   2.963   2.963
  484   1HD   ARG  78           HD2      ARG  78  10.418   1.265   1.265
  485   2HD   ARG  78           HD1      ARG  78   9.484   1.974   1.974
  486    HE   ARG  78           HE       ARG  78  10.820   0.773   0.773
  487   1HH1  ARG  78          HH21      ARG  78  12.175   0.780   0.780
  488   2HH1  ARG  78          HH22      ARG  78  13.382  -0.403  -0.403
  489   1HH2  ARG  78          HH11      ARG  78  12.394  -0.765  -0.765
  490   2HH2  ARG  78          HH12      ARG  78  13.508  -1.273  -1.273
  491    H    ARG  79           HN       ARG  79  14.608   4.955   4.955
  492    HA   ARG  79           HA       ARG  79  14.394   6.996   6.996
  493   1HB   ARG  79           HB2      ARG  79  16.305   4.964   4.964
  494   2HB   ARG  79           HB1      ARG  79  16.130   5.020   5.020
  495   1HG   ARG  79           HG2      ARG  79  16.180   7.687   7.687
  496   2HG   ARG  79           HG1      ARG  79  17.259   7.032   7.032
  497   1HD   ARG  79           HD2      ARG  79  18.736   6.129   6.129
  498   2HD   ARG  79           HD1      ARG  79  17.529   6.214   6.214
  499    HE   ARG  79           HE       ARG  79  18.215   8.430   8.430
  500   1HH1  ARG  79          HH21      ARG  79  19.095   7.367   7.367
  501   2HH1  ARG  79          HH22      ARG  79  19.968   8.812   8.812
  502   1HH2  ARG  79          HH11      ARG  79  19.356  10.316  10.316
  503   2HH2  ARG  79          HH12      ARG  79  20.115  10.478  10.478

  Start of MODEL    5
    1   1H    THR   9           HT2      THR   9  11.077  29.335  29.335
    2   2H    THR   9           HT1      THR   9  11.929  30.793  30.793
    3   3H    THR   9           HT3      THR   9  12.268  29.480  29.480
    4    HA   THR   9           HA       THR   9  13.831  28.796  28.796
    5    HB   THR   9           HB       THR   9  12.839  30.803  30.803
    6    HG1  THR   9           HG1      THR   9  14.691  31.958  31.958
    7   1HG2  THR   9          HG23      THR   9  14.588  29.201  29.201
    8   2HG2  THR   9          HG22      THR   9  15.594  29.715  29.715
    9   3HG2  THR   9          HG21      THR   9  15.203  30.853  30.853
   10    H    PHE  10           HN       PHE  10  14.111  27.300  27.300
   11    HA   PHE  10           HA       PHE  10  11.535  26.438  26.438
   12   1HB   PHE  10           HB2      PHE  10  13.912  24.936  24.936
   13   2HB   PHE  10           HB1      PHE  10  12.981  24.240  24.240
   14    HD1  PHE  10           HD1      PHE  10  11.946  26.245  26.245
   15    HD2  PHE  10           HD2      PHE  10  11.586  22.564  22.564
   16    HE1  PHE  10           HE1      PHE  10  10.239  25.492  25.492
   17    HE2  PHE  10           HE2      PHE  10   9.880  21.816  21.816
   18    HZ   PHE  10           HZ       PHE  10   9.205  23.277  23.277
   19    H    VAL  11           HN       VAL  11  11.585  25.843  25.843
   20    HA   VAL  11           HA       VAL  11  14.073  26.632  26.632
   21    HB   VAL  11           HB       VAL  11  11.221  27.262  27.262
   22   1HG1  VAL  11          HG12      VAL  11  12.779  26.812  26.812
   23   2HG1  VAL  11          HG11      VAL  11  13.881  28.031  28.031
   24   3HG1  VAL  11          HG13      VAL  11  12.288  28.505  28.505
   25   1HG2  VAL  11          HG21      VAL  11  13.411  28.857  28.857
   26   2HG2  VAL  11          HG23      VAL  11  11.689  28.815  28.815
   27   3HG2  VAL  11          HG22      VAL  11  12.252  29.661  29.661
   28    H    ALA  12           HN       ALA  12  14.644  25.243  25.243
   29    HA   ALA  12           HA       ALA  12  13.289  22.671  22.671
   30   1HB   ALA  12           HB3      ALA  12  15.642  23.898  23.898
   31   2HB   ALA  12           HB2      ALA  12  14.983  22.341  22.341
   32   3HB   ALA  12           HB1      ALA  12  15.624  22.541  22.541
   33    H    LEU  13           HN       LEU  13  11.273  22.751  22.751
   34    HA   LEU  13           HA       LEU  13  10.540  24.489  24.489
   35   1HB   LEU  13           HB2      LEU  13   9.319  21.787  21.787
   36   2HB   LEU  13           HB1      LEU  13   8.547  23.145  23.145
   37    HG   LEU  13           HG       LEU  13   9.531  23.177  23.177
   38   1HD1  LEU  13          HD12      LEU  13   6.977  22.405  22.405
   39   2HD1  LEU  13          HD11      LEU  13   6.824  23.524  23.524
   40   3HD1  LEU  13          HD13      LEU  13   7.621  21.967  21.967
   41   1HD2  LEU  13          HD22      LEU  13   7.922  25.171  25.171
   42   2HD2  LEU  13          HD21      LEU  13   9.590  25.381  25.381
   43   3HD2  LEU  13          HD23      LEU  13   8.286  25.319  25.319
   44    H    TYR  14           HN       TYR  14  11.253  20.979  20.979
   45    HA   TYR  14           HA       TYR  14  11.794  21.263  21.263
   46   1HB   TYR  14           HB2      TYR  14  11.660  18.597  18.597
   47   2HB   TYR  14           HB1      TYR  14  11.163  19.048  19.048
   48    HD1  TYR  14           HD1      TYR  14   9.572  21.561  21.561
   49    HD2  TYR  14           HD2      TYR  14   9.570  17.532  17.532
   50    HE1  TYR  14           HE1      TYR  14   7.267  21.828  21.828
   51    HE2  TYR  14           HE2      TYR  14   7.263  17.799  17.799
   52    HH   TYR  14           HH       TYR  14   5.609  20.919  20.919
   53    H    ASP  15           HN       ASP  15  13.676  20.004  20.004
   54    HA   ASP  15           HA       ASP  15  16.035  20.535  20.535
   55   1HB   ASP  15           HB2      ASP  15  17.147  19.245  19.245
   56   2HB   ASP  15           HB1      ASP  15  16.332  20.753  20.753
   57    H    TYR  16           HN       TYR  16  17.594  18.867  18.867
   58    HA   TYR  16           HA       TYR  16  16.481  16.129  16.129
   59   1HB   TYR  16           HB2      TYR  16  15.849  17.127  17.127
   60   2HB   TYR  16           HB1      TYR  16  17.429  17.891  17.891
   61    HD1  TYR  16           HD1      TYR  16  16.796  14.427  14.427
   62    HD2  TYR  16           HD2      TYR  16  18.176  16.846  16.846
   63    HE1  TYR  16           HE1      TYR  16  17.630  12.427  12.427
   64    HE2  TYR  16           HE2      TYR  16  19.000  14.849  14.849
   65    HH   TYR  16           HH       TYR  16  19.798  12.401  12.401
   66    H    GLU  17           HN       GLU  17  18.140  15.673  15.673
   67    HA   GLU  17           HA       GLU  17  20.946  16.101  16.101
   68   1HB   GLU  17           HB2      GLU  17  20.244  14.347  14.347
   69   2HB   GLU  17           HB1      GLU  17  21.442  15.631  15.631
   70   1HG   GLU  17           HG2      GLU  17  19.486  17.272  17.272
   71   2HG   GLU  17           HG1      GLU  17  18.461  15.916  15.916
   72    H    SER  18           HN       SER  18  21.245  14.756  14.756
   73    HA   SER  18           HA       SER  18  20.355  12.042  12.042
   74   1HB   SER  18           HB2      SER  18  21.394  12.046  12.046
   75   2HB   SER  18           HB1      SER  18  21.517  13.782  13.782
   76    HG   SER  18           HG       SER  18  23.514  12.568  12.568
   77    H    ARG  19           HN       ARG  19  22.043  10.177  10.177
   78    HA   ARG  19           HA       ARG  19  24.104  10.492  10.492
   79   1HB   ARG  19           HB2      ARG  19  21.824   8.603   8.603
   80   2HB   ARG  19           HB1      ARG  19  23.372   7.892   7.892
   81   1HG   ARG  19           HG2      ARG  19  22.447   8.576   8.576
   82   2HG   ARG  19           HG1      ARG  19  23.553   9.888   9.888
   83   1HD   ARG  19           HD2      ARG  19  21.702  11.210  11.210
   84   2HD   ARG  19           HD1      ARG  19  20.581   9.880   9.880
   85    HE   ARG  19           HE       ARG  19  21.581  11.743  11.743
   86   1HH1  ARG  19          HH21      ARG  19  20.367   8.578   8.578
   87   2HH1  ARG  19          HH22      ARG  19  19.769   8.330   8.330
   88   1HH2  ARG  19          HH11      ARG  19  20.802  11.428  11.428
   89   2HH2  ARG  19          HH12      ARG  19  20.015   9.939   9.939
   90    H    THR  20           HN       THR  20  24.859  10.738  10.738
   91    HA   THR  20           HA       THR  20  26.816   8.711   8.711
   92    HB   THR  20           HB       THR  20  24.761   7.338   7.338
   93    HG1  THR  20           HG1      THR  20  26.954   7.085   7.085
   94   1HG2  THR  20          HG22      THR  20  23.483   9.156   9.156
   95   2HG2  THR  20          HG21      THR  20  24.654   9.185   9.185
   96   3HG2  THR  20          HG23      THR  20  23.646   7.760   7.760
   97    H    GLU  21           HN       GLU  21  27.492   8.764   8.764
   98    HA   GLU  21           HA       GLU  21  27.844  11.645  11.645
   99   1HB   GLU  21           HB2      GLU  21  29.665   9.740   9.740
  100   2HB   GLU  21           HB1      GLU  21  29.012   9.477   9.477
  101   1HG   GLU  21           HG2      GLU  21  29.289  12.005  12.005
  102   2HG   GLU  21           HG1      GLU  21  30.265  11.991  11.991
  103    H    THR  22           HN       THR  22  25.231  11.098  11.098
  104    HA   THR  22           HA       THR  22  25.108  11.009  11.009
  105    HB   THR  22           HB       THR  22  24.195   8.923   8.923
  106    HG1  THR  22           HG1      THR  22  22.491   8.871   8.871
  107   1HG2  THR  22          HG23      THR  22  23.063  10.710  10.710
  108   2HG2  THR  22          HG22      THR  22  21.696  10.238  10.238
  109   3HG2  THR  22          HG21      THR  22  22.625   9.009   9.009
  110    H    ASP  23           HN       ASP  23  22.057  11.486  11.486
  111    HA   ASP  23           HA       ASP  23  21.595  14.024  14.024
  112   1HB   ASP  23           HB2      ASP  23  20.144  13.618  13.618
  113   2HB   ASP  23           HB1      ASP  23  19.520  13.785  13.785
  114    H    LEU  24           HN       LEU  24  22.070  16.076  16.076
  115    HA   LEU  24           HA       LEU  24  23.947  16.473  16.473
  116   1HB   LEU  24           HB2      LEU  24  22.496  18.282  18.282
  117   2HB   LEU  24           HB1      LEU  24  23.372  18.966  18.966
  118    HG   LEU  24           HG       LEU  24  24.564  17.087  17.087
  119   1HD1  LEU  24          HD12      LEU  24  24.038  19.332  19.332
  120   2HD1  LEU  24          HD11      LEU  24  24.944  20.069  20.069
  121   3HD1  LEU  24          HD13      LEU  24  25.778  19.077  19.077
  122   1HD2  LEU  24          HD22      LEU  24  25.697  18.561  18.561
  123   2HD2  LEU  24          HD21      LEU  24  25.710  16.823  16.823
  124   3HD2  LEU  24          HD23      LEU  24  26.711  17.893  17.893
  125    H    SER  25           HN       SER  25  23.439  16.764  16.764
  126    HA   SER  25           HA       SER  25  20.690  16.876  16.876
  127   1HB   SER  25           HB2      SER  25  22.867  17.719  17.719
  128   2HB   SER  25           HB1      SER  25  21.562  16.564  16.564
  129    HG   SER  25           HG       SER  25  23.121  15.180  15.180
  130    H    PHE  26           HN       PHE  26  19.516  18.671  18.671
  131    HA   PHE  26           HA       PHE  26  20.905  21.303  21.303
  132   1HB   PHE  26           HB2      PHE  26  18.978  22.293  22.293
  133   2HB   PHE  26           HB1      PHE  26  19.916  21.148  21.148
  134    HD1  PHE  26           HD2      PHE  26  16.814  21.562  21.562
  135    HD2  PHE  26           HD1      PHE  26  18.899  19.122  19.122
  136    HE1  PHE  26           HE2      PHE  26  14.768  20.256  20.256
  137    HE2  PHE  26           HE1      PHE  26  16.851  17.821  17.821
  138    HZ   PHE  26           HZ       PHE  26  14.785  18.386  18.386
  139    H    LYS  27           HN       LYS  27  20.376  22.437  22.437
  140    HA   LYS  27           HA       LYS  27  18.388  21.417  21.417
  141   1HB   LYS  27           HB2      LYS  27  18.969  23.626  23.626
  142   2HB   LYS  27           HB1      LYS  27  20.261  22.443  22.443
  143   1HG   LYS  27           HG2      LYS  27  21.441  23.798  23.798
  144   2HG   LYS  27           HG1      LYS  27  19.998  24.287  24.287
  145   1HD   LYS  27           HD2      LYS  27  20.647  26.282  26.282
  146   2HD   LYS  27           HD1      LYS  27  19.432  25.646  25.646
  147   1HE   LYS  27           HE2      LYS  27  21.832  24.438  24.438
  148   2HE   LYS  27           HE1      LYS  27  22.268  26.110  26.110
  149   1HZ   LYS  27           HZ3      LYS  27  19.796  25.970  25.970
  150   2HZ   LYS  27           HZ2      LYS  27  21.015  25.169  25.169
  151   3HZ   LYS  27           HZ1      LYS  27  21.220  26.794  26.794
  152    H    LYS  28           HN       LYS  28  16.973  23.438  23.438
  153    HA   LYS  28           HA       LYS  28  15.077  24.057  24.057
  154   1HB   LYS  28           HB2      LYS  28  14.123  23.484  23.484
  155   2HB   LYS  28           HB1      LYS  28  15.130  24.661  24.661
  156   1HG   LYS  28           HG2      LYS  28  13.993  26.472  26.472
  157   2HG   LYS  28           HG1      LYS  28  12.894  25.244  25.244
  158   1HD   LYS  28           HD2      LYS  28  12.022  24.780  24.780
  159   2HD   LYS  28           HD1      LYS  28  13.302  25.709  25.709
  160   1HE   LYS  28           HE2      LYS  28  12.382  27.711  27.711
  161   2HE   LYS  28           HE1      LYS  28  10.941  26.714  26.714
  162   1HZ   LYS  28           HZ2      LYS  28  10.804  26.516  26.516
  163   2HZ   LYS  28           HZ1      LYS  28  12.171  27.509  27.509
  164   3HZ   LYS  28           HZ3      LYS  28  10.739  28.141  28.141
  165    H    GLY  29           HN       GLY  29  14.552  26.167  26.167
  166   1HA   GLY  29           HA2      GLY  29  14.830  28.531  28.531
  167   2HA   GLY  29           HA1      GLY  29  16.123  28.451  28.451
  168    H    GLU  30           HN       GLU  30  17.157  26.060  26.060
  169    HA   GLU  30           HA       GLU  30  19.096  27.599  27.599
  170   1HB   GLU  30           HB2      GLU  30  19.530  25.319  25.319
  171   2HB   GLU  30           HB1      GLU  30  18.424  24.654  24.654
  172   1HG   GLU  30           HG2      GLU  30  20.188  24.530  24.530
  173   2HG   GLU  30           HG1      GLU  30  20.156  26.292  26.292
  174    H    ARG  31           HN       ARG  31  19.213  27.976  27.976
  175    HA   ARG  31           HA       ARG  31  16.642  27.647  27.647
  176   1HB   ARG  31           HB2      ARG  31  19.032  29.436  29.436
  177   2HB   ARG  31           HB1      ARG  31  17.999  29.144  29.144
  178   1HG   ARG  31           HG2      ARG  31  16.030  29.867  29.867
  179   2HG   ARG  31           HG1      ARG  31  17.072  30.175  30.175
  180   1HD   ARG  31           HD2      ARG  31  18.084  31.485  31.485
  181   2HD   ARG  31           HD1      ARG  31  16.435  31.987  31.987
  182    HE   ARG  31           HE       ARG  31  17.200  32.974  32.974
  183   1HH1  ARG  31          HH21      ARG  31  19.663  31.142  31.142
  184   2HH1  ARG  31          HH22      ARG  31  20.937  31.758  31.758
  185   1HH2  ARG  31          HH11      ARG  31  18.862  33.771  33.771
  186   2HH2  ARG  31          HH12      ARG  31  20.488  33.240  33.240
  187    H    LEU  32           HN       LEU  32  16.454  26.228  26.228
  188    HA   LEU  32           HA       LEU  32  18.972  24.990  24.990
  189   1HB   LEU  32           HB2      LEU  32  16.379  23.721  23.721
  190   2HB   LEU  32           HB1      LEU  32  17.388  22.944  22.944
  191    HG   LEU  32           HG       LEU  32  19.126  23.759  23.759
  192   1HD1  LEU  32          HD12      LEU  32  16.623  23.567  23.567
  193   2HD1  LEU  32          HD11      LEU  32  17.216  21.919  21.919
  194   3HD1  LEU  32          HD13      LEU  32  18.120  23.270  23.270
  195   1HD2  LEU  32          HD23      LEU  32  18.007  21.063  21.063
  196   2HD2  LEU  32          HD22      LEU  32  19.486  21.818  21.818
  197   3HD2  LEU  32          HD21      LEU  32  19.384  21.275  21.275
  198    H    GLN  33           HN       GLN  33  19.028  24.639  24.639
  199    HA   GLN  33           HA       GLN  33  16.795  25.920  25.920
  200   1HB   GLN  33           HB2      GLN  33  19.328  26.668  26.668
  201   2HB   GLN  33           HB1      GLN  33  19.460  25.299  25.299
  202   1HG   GLN  33           HG2      GLN  33  17.769  26.212  26.212
  203   2HG   GLN  33           HG1      GLN  33  17.363  27.468  27.468
  204   1HE2  GLN  33          HE22      GLN  33  20.555  29.203  29.203
  205   2HE2  GLN  33          HE21      GLN  33  19.660  28.660  28.660
  206    H    ILE  34           HN       ILE  34  15.425  24.119  24.119
  207    HA   ILE  34           HA       ILE  34  16.125  21.470  21.470
  208    HB   ILE  34           HB       ILE  34  13.811  23.032  23.032
  209   1HG1  ILE  34          HG12      ILE  34  13.793  23.171  23.171
  210   2HG1  ILE  34          HG11      ILE  34  12.565  22.006  22.006
  211   1HG2  ILE  34          HG23      ILE  34  14.586  20.147  20.147
  212   2HG2  ILE  34          HG22      ILE  34  12.879  20.533  20.533
  213   3HG2  ILE  34          HG21      ILE  34  13.723  21.062  21.062
  214   1HD1  ILE  34          HD12      ILE  34  14.744  20.380  20.380
  215   2HD1  ILE  34          HD11      ILE  34  15.090  21.574  21.574
  216   3HD1  ILE  34          HD13      ILE  34  13.585  20.656  20.656
  217    H    VAL  35           HN       VAL  35  16.339  20.291  20.291
  218    HA   VAL  35           HA       VAL  35  17.385  22.000  22.000
  219    HB   VAL  35           HB       VAL  35  18.080  19.174  19.174
  220   1HG1  VAL  35          HG11      VAL  35  18.701  20.734  20.734
  221   2HG1  VAL  35          HG13      VAL  35  19.780  19.462  19.462
  222   3HG1  VAL  35          HG12      VAL  35  18.114  19.077  19.077
  223   1HG2  VAL  35          HG23      VAL  35  19.098  21.180  21.180
  224   2HG2  VAL  35          HG22      VAL  35  20.253  20.074  20.074
  225   3HG2  VAL  35          HG21      VAL  35  19.860  21.599  21.599
  226    H    ASN  36           HN       ASN  36  15.712  18.907  18.907
  227    HA   ASN  36           HA       ASN  36  13.946  19.488  19.488
  228   1HB   ASN  36           HB2      ASN  36  16.133  17.616  17.616
  229   2HB   ASN  36           HB1      ASN  36  14.608  16.739  16.739
  230   1HD2  ASN  36          HD22      ASN  36  14.572  17.568  17.568
  231   2HD2  ASN  36          HD21      ASN  36  14.579  16.335  16.335
  232    H    ASN  37           HN       ASN  37  11.897  19.063  19.063
  233    HA   ASN  37           HA       ASN  37  11.527  17.106  17.106
  234   1HB   ASN  37           HB2      ASN  37   9.508  18.330  18.330
  235   2HB   ASN  37           HB1      ASN  37  10.837  19.482  19.482
  236   1HD2  ASN  37          HD22      ASN  37   9.565  20.952  20.952
  237   2HD2  ASN  37          HD21      ASN  37  11.002  20.636  20.636
  238    H    THR  38           HN       THR  38  11.731  15.684  15.684
  239    HA   THR  38           HA       THR  38   8.948  15.295  15.295
  240    HB   THR  38           HB       THR  38  10.411  16.015  16.015
  241    HG1  THR  38           HG1      THR  38  10.465  13.812  13.812
  242   1HG2  THR  38          HG21      THR  38  12.269  14.162  14.162
  243   2HG2  THR  38          HG23      THR  38  12.286  14.067  14.067
  244   3HG2  THR  38          HG22      THR  38  12.611  15.603  15.603
  245    H    GLU  39           HN       GLU  39  11.632  13.920  13.920
  246    HA   GLU  39           HA       GLU  39  11.370  11.172  11.172
  247   1HB   GLU  39           HB2      GLU  39  12.366  12.803  12.803
  248   2HB   GLU  39           HB1      GLU  39  11.869  11.168  11.168
  249   1HG   GLU  39           HG2      GLU  39  13.413  11.248  11.248
  250   2HG   GLU  39           HG1      GLU  39  14.317  11.874  11.874
  251    H    GLY  40           HN       GLY  40   9.575  13.148  13.148
  252   1HA   GLY  40           HA2      GLY  40   7.119  12.666  12.666
  253   2HA   GLY  40           HA1      GLY  40   7.540  10.956  10.956
  254    H    ASP  41           HN       ASP  41   9.904  12.433  12.433
  255    HA   ASP  41           HA       ASP  41   8.553  12.752  12.752
  256   1HB   ASP  41           HB2      ASP  41   9.860  10.632  10.632
  257   2HB   ASP  41           HB1      ASP  41   8.238  10.476  10.476
  258    H    TRP  42           HN       TRP  42  11.667  11.144  11.144
  259    HA   TRP  42           HA       TRP  42  13.055  13.129  13.129
  260   1HB   TRP  42           HB2      TRP  42  13.873  10.659  10.659
  261   2HB   TRP  42           HB1      TRP  42  15.099  11.779  11.779
  262    HD1  TRP  42           HD1      TRP  42  12.472   9.251   9.251
  263    HE1  TRP  42           HE1      TRP  42  12.907   8.953   8.953
  264    HE3  TRP  42           HE3      TRP  42  15.841  12.827  12.827
  265    HZ2  TRP  42           HZ2      TRP  42  14.581  10.167  10.167
  266    HZ3  TRP  42           HZ3      TRP  42  16.876  13.294  13.294
  267    HH2  TRP  42           HH2      TRP  42  16.248  11.963  11.963
  268    H    TRP  43           HN       TRP  43  14.416  14.762  14.762
  269    HA   TRP  43           HA       TRP  43  14.694  15.043  15.043
  270   1HB   TRP  43           HB2      TRP  43  14.016  17.321  17.321
  271   2HB   TRP  43           HB1      TRP  43  14.162  17.408  17.408
  272    HD1  TRP  43           HD1      TRP  43  12.479  14.780  14.780
  273    HE1  TRP  43           HE1      TRP  43   9.983  14.882  14.882
  274    HE3  TRP  43           HE3      TRP  43  12.364  18.457  18.457
  275    HZ2  TRP  43           HZ2      TRP  43   8.070  16.436  16.436
  276    HZ3  TRP  43           HZ3      TRP  43  10.268  19.282  19.282
  277    HH2  TRP  43           HH2      TRP  43   8.121  18.271  18.271
  278    H    LEU  44           HN       LEU  44  16.453  16.635  16.635
  279    HA   LEU  44           HA       LEU  44  18.648  16.424  16.424
  280   1HB   LEU  44           HB2      LEU  44  18.937  15.413  15.413
  281   2HB   LEU  44           HB1      LEU  44  18.914  17.060  17.060
  282    HG   LEU  44           HG       LEU  44  20.749  17.460  17.460
  283   1HD1  LEU  44          HD12      LEU  44  20.704  14.471  14.471
  284   2HD1  LEU  44          HD11      LEU  44  22.189  15.306  15.306
  285   3HD1  LEU  44          HD13      LEU  44  20.783  15.369  15.369
  286   1HD2  LEU  44          HD22      LEU  44  20.767  16.922  16.922
  287   2HD2  LEU  44          HD21      LEU  44  22.050  17.688  17.688
  288   3HD2  LEU  44          HD23      LEU  44  22.069  15.944  15.944
  289    H    ALA  45           HN       ALA  45  19.123  18.299  18.299
  290    HA   ALA  45           HA       ALA  45  18.516  20.864  20.864
  291   1HB   ALA  45           HB3      ALA  45  17.197  20.085  20.085
  292   2HB   ALA  45           HB2      ALA  45  18.613  20.773  20.773
  293   3HB   ALA  45           HB1      ALA  45  17.625  21.776  21.776
  294    H    HIS  46           HN       HIS  46  20.010  22.582  22.582
  295    HA   HIS  46           HA       HIS  46  22.681  21.682  21.682
  296   1HB   HIS  46           HB2      HIS  46  22.838  22.209  22.209
  297   2HB   HIS  46           HB1      HIS  46  21.881  23.677  23.677
  298    HD1  HIS  46           HD1      HIS  46  25.176  22.371  22.371
  299    HD2  HIS  46           HD2      HIS  46  23.379  25.936  25.936
  300    HE1  HIS  46           HE1      HIS  46  26.914  24.056  24.056
  301    H    SER  47           HN       SER  47  23.728  22.976  22.976
  302    HA   SER  47           HA       SER  47  22.069  25.169  25.169
  303   1HB   SER  47           HB2      SER  47  23.826  23.109  23.109
  304   2HB   SER  47           HB1      SER  47  24.180  24.717  24.717
  305    HG   SER  47           HG       SER  47  22.450  23.375  23.375
  306    H    LEU  48           HN       LEU  48  23.086  27.193  27.193
  307    HA   LEU  48           HA       LEU  48  25.394  27.799  27.799
  308   1HB   LEU  48           HB2      LEU  48  23.742  29.804  29.804
  309   2HB   LEU  48           HB1      LEU  48  24.712  30.073  30.073
  310    HG   LEU  48           HG       LEU  48  22.255  28.298  28.298
  311   1HD1  LEU  48          HD12      LEU  48  22.614  31.205  31.205
  312   2HD1  LEU  48          HD11      LEU  48  21.625  30.400  30.400
  313   3HD1  LEU  48          HD13      LEU  48  21.177  30.306  30.306
  314   1HD2  LEU  48          HD21      LEU  48  24.166  29.186  29.186
  315   2HD2  LEU  48          HD23      LEU  48  23.591  27.557  27.557
  316   3HD2  LEU  48          HD22      LEU  48  22.511  28.724  28.724
  317    H    THR  49           HN       THR  49  24.416  27.773  27.773
  318    HA   THR  49           HA       THR  49  26.439  29.317  29.317
  319    HB   THR  49           HB       THR  49  25.151  26.744  26.744
  320    HG1  THR  49           HG1      THR  49  23.644  28.119  28.119
  321   1HG2  THR  49          HG21      THR  49  27.416  27.121  27.121
  322   2HG2  THR  49          HG23      THR  49  26.826  28.669  28.669
  323   3HG2  THR  49          HG22      THR  49  26.089  27.168  27.168
  324    H    THR  50           HN       THR  50  26.674  25.748  25.748
  325    HA   THR  50           HA       THR  50  29.615  26.012  26.012
  326    HB   THR  50           HB       THR  50  28.887  24.395  24.395
  327    HG1  THR  50           HG1      THR  50  30.308  23.076  23.076
  328   1HG2  THR  50          HG23      THR  50  26.899  23.757  23.757
  329   2HG2  THR  50          HG22      THR  50  27.426  22.425  22.425
  330   3HG2  THR  50          HG21      THR  50  26.687  23.855  23.855
  331    H    GLY  51           HN       GLY  51  26.928  25.014  25.014
  332   1HA   GLY  51           HA2      GLY  51  27.102  25.064  25.064
  333   2HA   GLY  51           HA1      GLY  51  28.837  24.789  24.789
  334    H    GLN  52           HN       GLN  52  28.490  23.019  23.019
  335    HA   GLN  52           HA       GLN  52  28.309  20.735  20.735
  336   1HB   GLN  52           HB2      GLN  52  28.220  20.596  20.596
  337   2HB   GLN  52           HB1      GLN  52  28.309  19.178  19.178
  338   1HG   GLN  52           HG2      GLN  52  30.292  21.260  21.260
  339   2HG   GLN  52           HG1      GLN  52  30.490  20.548  20.548
  340   1HE2  GLN  52          HE22      GLN  52  32.347  18.075  18.075
  341   2HE2  GLN  52          HE21      GLN  52  32.483  19.464  19.464
  342    H    THR  53           HN       THR  53  26.668  19.055  19.055
  343    HA   THR  53           HA       THR  53  23.966  20.118  20.118
  344    HB   THR  53           HB       THR  53  25.108  18.746  18.746
  345    HG1  THR  53           HG1      THR  53  22.430  19.474  19.474
  346   1HG2  THR  53          HG21      THR  53  24.366  16.660  16.660
  347   2HG2  THR  53          HG23      THR  53  22.713  17.261  17.261
  348   3HG2  THR  53          HG22      THR  53  23.623  16.882  16.882
  349    H    GLY  54           HN       GLY  54  22.333  18.202  18.202
  350   1HA   GLY  54           HA2      GLY  54  23.278  15.899  15.899
  351   2HA   GLY  54           HA1      GLY  54  22.887  17.180  17.180
  352    H    TYR  55           HN       TYR  55  21.587  14.496  14.496
  353    HA   TYR  55           HA       TYR  55  19.047  15.159  15.159
  354   1HB   TYR  55           HB2      TYR  55  19.391  12.890  12.890
  355   2HB   TYR  55           HB1      TYR  55  18.428  12.948  12.948
  356    HD1  TYR  55           HD2      TYR  55  19.964  13.564  13.564
  357    HD2  TYR  55           HD1      TYR  55  21.334  11.595  11.595
  358    HE1  TYR  55           HE2      TYR  55  21.849  12.628  12.628
  359    HE2  TYR  55           HE1      TYR  55  23.214  10.657  10.657
  360    HH   TYR  55           HH       TYR  55  24.372  11.743  11.743
  361    H    ILE  56           HN       ILE  56  16.934  15.025  15.025
  362    HA   ILE  56           HA       ILE  56  17.077  15.701  15.701
  363    HB   ILE  56           HB       ILE  56  15.794  17.809  17.809
  364   1HG1  ILE  56          HG12      ILE  56  16.401  18.394  18.394
  365   2HG1  ILE  56          HG11      ILE  56  15.633  16.806  16.806
  366   1HG2  ILE  56          HG23      ILE  56  18.426  17.674  17.674
  367   2HG2  ILE  56          HG22      ILE  56  17.691  19.149  19.149
  368   3HG2  ILE  56          HG21      ILE  56  18.243  17.894  17.894
  369   1HD1  ILE  56          HD13      ILE  56  14.293  18.627  18.627
  370   2HD1  ILE  56          HD12      ILE  56  14.342  19.290  19.290
  371   3HD1  ILE  56          HD11      ILE  56  13.621  17.707  17.707
  372    HA   PRO  57           HA       PRO  57  13.373  13.327  13.327
  373   1HB   PRO  57           HB2      PRO  57  12.345  14.570  14.570
  374   2HB   PRO  57           HB1      PRO  57  13.149  13.003  13.003
  375   1HG   PRO  57           HG2      PRO  57  14.199  15.446  15.446
  376   2HG   PRO  57           HG1      PRO  57  14.985  13.866  13.866
  377   1HD   PRO  57           HD1      PRO  57  15.588  16.235  16.235
  378   2HD   PRO  57           HD2      PRO  57  16.361  14.642  14.642
  379    H    SER  58           HN       SER  58  11.083  13.652  13.652
  380    HA   SER  58           HA       SER  58  10.469  16.321  16.321
  381   1HB   SER  58           HB2      SER  58   9.105  15.181  15.181
  382   2HB   SER  58           HB1      SER  58   9.742  13.700  13.700
  383    HG   SER  58           HG       SER  58   7.287  14.687  14.687
  384    H    ASN  59           HN       ASN  59  10.058  14.669  14.669
  385    HA   ASN  59           HA       ASN  59   7.724  16.377  16.377
  386   1HB   ASN  59           HB2      ASN  59   7.914  14.722  14.722
  387   2HB   ASN  59           HB1      ASN  59   7.043  14.266  14.266
  388   1HD2  ASN  59          HD22      ASN  59   9.581  11.951  11.951
  389   2HD2  ASN  59          HD21      ASN  59   8.352  12.973  12.973
  390    H    TYR  60           HN       TYR  60  10.272  17.583  17.583
  391    HA   TYR  60           HA       TYR  60  10.679  18.280  18.280
  392   1HB   TYR  60           HB2      TYR  60  12.750  17.258  17.258
  393   2HB   TYR  60           HB1      TYR  60  13.217  18.416  18.416
  394    HD1  TYR  60           HD1      TYR  60  11.299  15.220  15.220
  395    HD2  TYR  60           HD2      TYR  60  13.776  17.600  17.600
  396    HE1  TYR  60           HE1      TYR  60  11.359  13.412  13.412
  397    HE2  TYR  60           HE2      TYR  60  13.837  15.792  15.792
  398    HH   TYR  60           HH       TYR  60  13.265  12.803  12.803
  399    H    VAL  61           HN       VAL  61  11.247  19.081  19.081
  400    HA   VAL  61           HA       VAL  61  11.693  21.921  21.921
  401    HB   VAL  61           HB       VAL  61  13.346  21.225  21.225
  402   1HG1  VAL  61          HG13      VAL  61  11.090  19.667  19.667
  403   2HG1  VAL  61          HG12      VAL  61  12.385  20.173  20.173
  404   3HG1  VAL  61          HG11      VAL  61  12.752  19.168  19.168
  405   1HG2  VAL  61          HG22      VAL  61  12.276  23.352  23.352
  406   2HG2  VAL  61          HG21      VAL  61  12.879  22.460  22.460
  407   3HG2  VAL  61          HG23      VAL  61  11.156  22.453  22.453
  408    H    ALA  62           HN       ALA  62  10.584  23.546  23.546
  409    HA   ALA  62           HA       ALA  62   8.099  22.729  22.729
  410   1HB   ALA  62           HB3      ALA  62   8.087  24.059  24.059
  411   2HB   ALA  62           HB2      ALA  62   6.733  24.238  24.238
  412   3HB   ALA  62           HB1      ALA  62   7.184  22.638  22.638
  413    HA   PRO  63           HA       PRO  63   9.328  26.409  26.409
  414   1HB   PRO  63           HB2      PRO  63   6.738  26.596  26.596
  415   2HB   PRO  63           HB1      PRO  63   8.241  26.001  26.001
  416   1HG   PRO  63           HG2      PRO  63   5.936  24.460  24.460
  417   2HG   PRO  63           HG1      PRO  63   7.442  23.865  23.865
  418   1HD   PRO  63           HD1      PRO  63   6.538  23.605  23.605
  419   2HD   PRO  63           HD2      PRO  63   8.040  22.988  22.988
  420    H    SER  64           HN       SER  64   9.331  27.860  27.860
  421    HA   SER  64           HA       SER  64   7.423  29.945  29.945
  422   1HB   SER  64           HB2      SER  64   6.206  27.801  27.801
  423   2HB   SER  64           HB1      SER  64   6.977  28.462  28.462
  424    HG   SER  64           HG       SER  64   4.980  29.425  29.425
  425   1H    ALA  71           HT2      ALA  71   5.678  18.293  18.293
  426   2H    ALA  71           HT1      ALA  71   5.537  19.842  19.842
  427   3H    ALA  71           HT3      ALA  71   6.955  19.403  19.403
  428    HA   ALA  71           HA       ALA  71   7.773  18.956  18.956
  429   1HB   ALA  71           HB2      ALA  71   5.160  19.697  19.697
  430   2HB   ALA  71           HB1      ALA  71   5.408  18.130  18.130
  431   3HB   ALA  71           HB3      ALA  71   6.518  19.461  19.461
  432    H    PHE  72           HN       PHE  72   7.058  17.017  17.017
  433    HA   PHE  72           HA       PHE  72   7.594  14.584  14.584
  434   1HB   PHE  72           HB2      PHE  72   5.484  13.951  13.951
  435   2HB   PHE  72           HB1      PHE  72   5.574  13.594  13.594
  436    HD1  PHE  72           HD1      PHE  72   4.777  15.312  15.312
  437    HD2  PHE  72           HD2      PHE  72   4.200  15.821  15.821
  438    HE1  PHE  72           HE1      PHE  72   3.090  17.043  17.043
  439    HE2  PHE  72           HE2      PHE  72   2.514  17.549  17.549
  440    HZ   PHE  72           HZ       PHE  72   1.957  18.162  18.162
  441    H    ALA  73           HN       ALA  73   9.425  15.632  15.632
  442    HA   ALA  73           HA       ALA  73   9.492  15.342  15.342
  443   1HB   ALA  73           HB2      ALA  73  11.486  15.019  15.019
  444   2HB   ALA  73           HB1      ALA  73  11.909  14.247  14.247
  445   3HB   ALA  73           HB3      ALA  73  11.571  15.977  15.977
  446    HA   PRO  74           HA       PRO  74   8.091  11.038  11.038
  447   1HB   PRO  74           HB2      PRO  74   8.074  11.317  11.317
  448   2HB   PRO  74           HB1      PRO  74   6.688  11.227  11.227
  449   1HG   PRO  74           HG2      PRO  74   7.687  13.545  13.545
  450   2HG   PRO  74           HG1      PRO  74   6.295  13.454  13.454
  451   1HD   PRO  74           HD1      PRO  74   8.847  14.688  14.688
  452   2HD   PRO  74           HD2      PRO  74   7.461  14.570  14.570
  453    HA   PRO  75           HA       PRO  75  11.962   9.134   9.134
  454   1HB   PRO  75           HB2      PRO  75  10.761   6.745   6.745
  455   2HB   PRO  75           HB1      PRO  75  11.427   7.000   7.000
  456   1HG   PRO  75           HG2      PRO  75   8.649   6.774   6.774
  457   2HG   PRO  75           HG1      PRO  75   9.315   7.034   7.034
  458   1HD   PRO  75           HD1      PRO  75   7.924   8.935   8.935
  459   2HD   PRO  75           HD2      PRO  75   8.588   9.194   9.194
  460    H    LEU  76           HN       LEU  76  13.202   8.174   8.174
  461    HA   LEU  76           HA       LEU  76  12.347   9.438   9.438
  462   1HB   LEU  76           HB2      LEU  76  14.886   7.864   7.864
  463   2HB   LEU  76           HB1      LEU  76  14.580   9.237   9.237
  464    HG   LEU  76           HG       LEU  76  14.636   9.366   9.366
  465   1HD1  LEU  76          HD12      LEU  76  16.666  10.043  10.043
  466   2HD1  LEU  76          HD11      LEU  76  16.717  10.788  10.788
  467   3HD1  LEU  76          HD13      LEU  76  16.882   9.039   9.039
  468   1HD2  LEU  76          HD22      LEU  76  13.326  11.027  11.027
  469   2HD2  LEU  76          HD21      LEU  76  13.945  11.526  11.526
  470   3HD2  LEU  76          HD23      LEU  76  14.901  11.810  11.810
  471    HA   PRO  77           HA       PRO  77  10.608   5.509   5.509
  472   1HB   PRO  77           HB2      PRO  77  10.344   6.551   6.551
  473   2HB   PRO  77           HB1      PRO  77   9.073   6.314   6.314
  474   1HG   PRO  77           HG2      PRO  77  10.223   8.808   8.808
  475   2HG   PRO  77           HG1      PRO  77   8.946   8.572   8.572
  476   1HD   PRO  77           HD1      PRO  77  11.683   9.354   9.354
  477   2HD   PRO  77           HD2      PRO  77  10.404   9.106   9.106
  478    H    ARG  78           HN       ARG  78  11.025   4.251   4.251
  479    HA   ARG  78           HA       ARG  78  13.976   4.001   4.001
  480   1HB   ARG  78           HB2      ARG  78  12.594   1.964   1.964
  481   2HB   ARG  78           HB1      ARG  78  11.797   2.252   2.252
  482   1HG   ARG  78           HG2      ARG  78  13.733   0.591   0.591
  483   2HG   ARG  78           HG1      ARG  78  13.827   1.906   1.906
  484   1HD   ARG  78           HD2      ARG  78  15.349   3.141   3.141
  485   2HD   ARG  78           HD1      ARG  78  15.197   1.898   1.898
  486    HE   ARG  78           HE       ARG  78  16.082   0.494   0.494
  487   1HH1  ARG  78          HH21      ARG  78  17.088   3.323   3.323
  488   2HH1  ARG  78          HH22      ARG  78  18.765   3.105   3.105
  489   1HH2  ARG  78          HH11      ARG  78  18.268   0.202   0.202
  490   2HH2  ARG  78          HH12      ARG  78  19.433   1.342   1.342
  491    H    ARG  79           HN       ARG  79  13.359   6.316   6.316
  492    HA   ARG  79           HA       ARG  79  13.250   7.496   7.496
  493   1HB   ARG  79           HB2      ARG  79  14.886   5.157   5.157
  494   2HB   ARG  79           HB1      ARG  79  14.964   6.837   6.837
  495   1HG   ARG  79           HG2      ARG  79  15.756   5.769   5.769
  496   2HG   ARG  79           HG1      ARG  79  16.848   6.377   6.377
  497   1HD   ARG  79           HD2      ARG  79  15.572   8.581   8.581
  498   2HD   ARG  79           HD1      ARG  79  14.791   7.937   7.937
  499    HE   ARG  79           HE       ARG  79  16.815   8.255   8.255
  500   1HH1  ARG  79          HH21      ARG  79  17.256   8.422   8.422
  501   2HH1  ARG  79          HH22      ARG  79  18.895   8.970   8.970
  502   1HH2  ARG  79          HH11      ARG  79  18.953   8.967   8.967
  503   2HH2  ARG  79          HH12      ARG  79  19.854   9.279   9.279

  Start of MODEL    6
    1   1H    THR   9           HT1      THR   9  12.265  30.042  30.042
    2   2H    THR   9           HT3      THR   9  12.847  30.951  30.951
    3   3H    THR   9           HT2      THR   9  13.717  30.911  30.911
    4    HA   THR   9           HA       THR   9  14.183  28.570  28.570
    5    HB   THR   9           HB       THR   9  14.976  29.452  29.452
    6    HG1  THR   9           HG1      THR   9  15.592  31.421  31.421
    7   1HG2  THR   9          HG22      THR   9  16.069  28.250  28.250
    8   2HG2  THR   9          HG21      THR   9  17.113  29.563  29.563
    9   3HG2  THR   9          HG23      THR   9  16.715  28.238  28.238
   10    H    PHE  10           HN       PHE  10  14.339  26.893  26.893
   11    HA   PHE  10           HA       PHE  10  11.591  26.640  26.640
   12   1HB   PHE  10           HB2      PHE  10  13.770  24.683  24.683
   13   2HB   PHE  10           HB1      PHE  10  12.517  24.234  24.234
   14    HD1  PHE  10           HD2      PHE  10  12.317  26.353  26.353
   15    HD2  PHE  10           HD1      PHE  10  11.065  22.763  22.763
   16    HE1  PHE  10           HE2      PHE  10  10.770  25.897  25.897
   17    HE2  PHE  10           HE1      PHE  10   9.517  22.314  22.314
   18    HZ   PHE  10           HZ       PHE  10   9.369  23.879  23.879
   19    H    VAL  11           HN       VAL  11  11.732  25.251  25.251
   20    HA   VAL  11           HA       VAL  11  13.935  26.310  26.310
   21    HB   VAL  11           HB       VAL  11  11.026  26.454  26.454
   22   1HG1  VAL  11          HG11      VAL  11  13.659  27.069  27.069
   23   2HG1  VAL  11          HG13      VAL  11  12.399  28.276  28.276
   24   3HG1  VAL  11          HG12      VAL  11  12.142  26.608  26.608
   25   1HG2  VAL  11          HG23      VAL  11  12.825  28.539  28.539
   26   2HG2  VAL  11          HG22      VAL  11  11.241  28.004  28.004
   27   3HG2  VAL  11          HG21      VAL  11  11.378  28.956  28.956
   28    H    ALA  12           HN       ALA  12  14.493  24.914  24.914
   29    HA   ALA  12           HA       ALA  12  13.605  22.162  22.162
   30   1HB   ALA  12           HB3      ALA  12  15.395  23.589  23.589
   31   2HB   ALA  12           HB2      ALA  12  15.047  21.863  21.863
   32   3HB   ALA  12           HB1      ALA  12  15.877  22.513  22.513
   33    H    LEU  13           HN       LEU  13  11.359  22.161  22.161
   34    HA   LEU  13           HA       LEU  13  10.033  23.407  23.407
   35   1HB   LEU  13           HB2      LEU  13   9.556  20.636  20.636
   36   2HB   LEU  13           HB1      LEU  13   8.418  21.506  21.506
   37    HG   LEU  13           HG       LEU  13   9.438  22.404  22.404
   38   1HD1  LEU  13          HD11      LEU  13   7.029  20.992  20.992
   39   2HD1  LEU  13          HD13      LEU  13   6.711  22.341  22.341
   40   3HD1  LEU  13          HD12      LEU  13   7.748  21.013  21.013
   41   1HD2  LEU  13          HD22      LEU  13   7.923  23.778  23.778
   42   2HD2  LEU  13          HD21      LEU  13   9.124  24.434  24.434
   43   3HD2  LEU  13          HD23      LEU  13   7.480  24.129  24.129
   44    H    TYR  14           HN       TYR  14  12.308  20.782  20.782
   45    HA   TYR  14           HA       TYR  14  12.179  20.855  20.855
   46   1HB   TYR  14           HB2      TYR  14  11.916  18.226  18.226
   47   2HB   TYR  14           HB1      TYR  14  11.846  18.483  18.483
   48    HD1  TYR  14           HD2      TYR  14  10.060  19.027  19.027
   49    HD2  TYR  14           HD1      TYR  14   9.847  19.375  19.375
   50    HE1  TYR  14           HE2      TYR  14   7.653  19.468  19.468
   51    HE2  TYR  14           HE1      TYR  14   7.437  19.802  19.802
   52    HH   TYR  14           HH       TYR  14   5.720  19.572  19.572
   53    H    ASP  15           HN       ASP  15  14.001  19.399  19.399
   54    HA   ASP  15           HA       ASP  15  16.440  20.025  20.025
   55   1HB   ASP  15           HB2      ASP  15  16.168  18.390  18.390
   56   2HB   ASP  15           HB1      ASP  15  17.609  19.222  19.222
   57    H    TYR  16           HN       TYR  16  17.146  18.709  18.709
   58    HA   TYR  16           HA       TYR  16  16.351  15.853  15.853
   59   1HB   TYR  16           HB2      TYR  16  16.030  16.964  16.964
   60   2HB   TYR  16           HB1      TYR  16  17.669  17.612  17.612
   61    HD1  TYR  16           HD1      TYR  16  16.544  14.171  14.171
   62    HD2  TYR  16           HD2      TYR  16  18.688  16.576  16.576
   63    HE1  TYR  16           HE1      TYR  16  17.369  12.149  12.149
   64    HE2  TYR  16           HE2      TYR  16  19.515  14.554  14.554
   65    HH   TYR  16           HH       TYR  16  18.423  11.924  11.924
   66    H    GLU  17           HN       GLU  17  17.713  14.556  14.556
   67    HA   GLU  17           HA       GLU  17  20.607  15.222  15.222
   68   1HB   GLU  17           HB2      GLU  17  19.309  14.687  14.687
   69   2HB   GLU  17           HB1      GLU  17  19.145  13.038  13.038
   70   1HG   GLU  17           HG2      GLU  17  21.197  12.553  12.553
   71   2HG   GLU  17           HG1      GLU  17  21.886  13.793  13.793
   72    H    SER  18           HN       SER  18  20.561  14.527  14.527
   73    HA   SER  18           HA       SER  18  20.092  11.973  11.973
   74   1HB   SER  18           HB2      SER  18  21.427  12.545  12.545
   75   2HB   SER  18           HB1      SER  18  21.281  14.142  14.142
   76    HG   SER  18           HG       SER  18  23.476  12.799  12.799
   77    H    ARG  19           HN       ARG  19  21.073   9.966   9.966
   78    HA   ARG  19           HA       ARG  19  23.113   9.720   9.720
   79   1HB   ARG  19           HB2      ARG  19  21.652   7.516   7.516
   80   2HB   ARG  19           HB1      ARG  19  22.557   7.366   7.366
   81   1HG   ARG  19           HG2      ARG  19  20.959   8.883   8.883
   82   2HG   ARG  19           HG1      ARG  19  20.051   9.031   9.031
   83   1HD   ARG  19           HD2      ARG  19  20.457   6.243   6.243
   84   2HD   ARG  19           HD1      ARG  19  19.775   7.035   7.035
   85    HE   ARG  19           HE       ARG  19  18.253   7.968   7.968
   86   1HH1  ARG  19          HH21      ARG  19  19.134   4.931   4.931
   87   2HH1  ARG  19          HH22      ARG  19  17.665   4.144   4.144
   88   1HH2  ARG  19          HH11      ARG  19  16.334   6.951   6.951
   89   2HH2  ARG  19          HH12      ARG  19  16.081   5.286   5.286
   90    H    THR  20           HN       THR  20  22.829   9.628   9.628
   91    HA   THR  20           HA       THR  20  25.501   8.310   8.310
   92    HB   THR  20           HB       THR  20  24.897   8.066   8.066
   93    HG1  THR  20           HG1      THR  20  22.353   8.911   8.911
   94   1HG2  THR  20          HG22      THR  20  23.034   6.893   6.893
   95   2HG2  THR  20          HG21      THR  20  23.123   6.324   6.324
   96   3HG2  THR  20          HG23      THR  20  24.528   6.183   6.183
   97    H    GLU  21           HN       GLU  21  26.929   9.282   9.282
   98    HA   GLU  21           HA       GLU  21  27.059  12.181  12.181
   99   1HB   GLU  21           HB2      GLU  21  28.809  10.081  10.081
  100   2HB   GLU  21           HB1      GLU  21  29.023  11.732  11.732
  101   1HG   GLU  21           HG2      GLU  21  30.402  11.889  11.889
  102   2HG   GLU  21           HG1      GLU  21  28.883  12.190  12.190
  103    H    THR  22           HN       THR  22  25.944   9.980   9.980
  104    HA   THR  22           HA       THR  22  26.077  11.510  11.510
  105    HB   THR  22           HB       THR  22  23.443  10.249  10.249
  106    HG1  THR  22           HG1      THR  22  24.491   8.155   8.155
  107   1HG2  THR  22          HG21      THR  22  25.655   9.826   9.826
  108   2HG2  THR  22          HG23      THR  22  24.032   9.145   9.145
  109   3HG2  THR  22          HG22      THR  22  24.263  10.889  10.889
  110    H    ASP  23           HN       ASP  23  23.476  11.636  11.636
  111    HA   ASP  23           HA       ASP  23  22.537  14.178  14.178
  112   1HB   ASP  23           HB2      ASP  23  21.196  12.930  12.930
  113   2HB   ASP  23           HB1      ASP  23  20.483  13.785  13.785
  114    H    LEU  24           HN       LEU  24  22.623  16.128  16.128
  115    HA   LEU  24           HA       LEU  24  24.446  16.171  16.171
  116   1HB   LEU  24           HB2      LEU  24  23.159  18.518  18.518
  117   2HB   LEU  24           HB1      LEU  24  24.566  18.552  18.552
  118    HG   LEU  24           HG       LEU  24  24.609  16.813  16.813
  119   1HD1  LEU  24          HD11      LEU  24  24.911  19.814  19.814
  120   2HD1  LEU  24          HD13      LEU  24  25.737  18.861  18.861
  121   3HD1  LEU  24          HD12      LEU  24  23.976  18.852  18.852
  122   1HD2  LEU  24          HD21      LEU  24  26.371  17.159  17.159
  123   2HD2  LEU  24          HD23      LEU  24  26.871  16.769  16.769
  124   3HD2  LEU  24          HD22      LEU  24  26.914  18.440  18.440
  125    H    SER  25           HN       SER  25  23.837  16.995  16.995
  126    HA   SER  25           HA       SER  25  20.926  16.877  16.877
  127   1HB   SER  25           HB2      SER  25  22.458  17.435  17.435
  128   2HB   SER  25           HB1      SER  25  21.597  15.954  15.954
  129    HG   SER  25           HG       SER  25  23.452  15.360  15.360
  130    H    PHE  26           HN       PHE  26  19.796  18.637  18.637
  131    HA   PHE  26           HA       PHE  26  21.292  21.206  21.206
  132   1HB   PHE  26           HB2      PHE  26  19.294  22.313  22.313
  133   2HB   PHE  26           HB1      PHE  26  20.321  21.346  21.346
  134    HD1  PHE  26           HD2      PHE  26  17.106  21.442  21.442
  135    HD2  PHE  26           HD1      PHE  26  19.499  19.265  19.265
  136    HE1  PHE  26           HE2      PHE  26  15.166  20.049  20.049
  137    HE2  PHE  26           HE1      PHE  26  17.558  17.874  17.874
  138    HZ   PHE  26           HZ       PHE  26  15.393  18.262  18.262
  139    H    LYS  27           HN       LYS  27  20.042  22.850  22.850
  140    HA   LYS  27           HA       LYS  27  18.537  21.518  21.518
  141   1HB   LYS  27           HB2      LYS  27  20.372  23.657  23.657
  142   2HB   LYS  27           HB1      LYS  27  18.820  24.379  24.379
  143   1HG   LYS  27           HG2      LYS  27  18.580  22.546  22.546
  144   2HG   LYS  27           HG1      LYS  27  20.260  22.125  22.125
  145   1HD   LYS  27           HD2      LYS  27  20.834  24.561  24.561
  146   2HD   LYS  27           HD1      LYS  27  19.184  24.747  24.747
  147   1HE   LYS  27           HE2      LYS  27  20.079  22.433  22.433
  148   2HE   LYS  27           HE1      LYS  27  21.490  23.491  23.491
  149   1HZ   LYS  27           HZ1      LYS  27  19.949  25.263  25.263
  150   2HZ   LYS  27           HZ3      LYS  27  18.780  24.051  24.051
  151   3HZ   LYS  27           HZ2      LYS  27  20.244  23.988  23.988
  152    H    LYS  28           HN       LYS  28  16.729  23.189  23.189
  153    HA   LYS  28           HA       LYS  28  14.786  23.396  23.396
  154   1HB   LYS  28           HB2      LYS  28  14.286  22.488  22.488
  155   2HB   LYS  28           HB1      LYS  28  14.313  24.173  24.173
  156   1HG   LYS  28           HG2      LYS  28  12.728  23.922  23.922
  157   2HG   LYS  28           HG1      LYS  28  12.154  22.780  22.780
  158   1HD   LYS  28           HD2      LYS  28  12.279  24.761  24.761
  159   2HD   LYS  28           HD1      LYS  28  12.403  25.783  25.783
  160   1HE   LYS  28           HE2      LYS  28  10.278  24.976  24.976
  161   2HE   LYS  28           HE1      LYS  28  10.183  23.767  23.767
  162   1HZ   LYS  28           HZ2      LYS  28  10.487  26.576  26.576
  163   2HZ   LYS  28           HZ1      LYS  28   8.967  26.064  26.064
  164   3HZ   LYS  28           HZ3      LYS  28   9.669  25.319  25.319
  165    H    GLY  29           HN       GLY  29  14.349  25.292  25.292
  166   1HA   GLY  29           HA2      GLY  29  13.847  27.699  27.699
  167   2HA   GLY  29           HA1      GLY  29  15.055  27.841  27.841
  168    H    GLU  30           HN       GLU  30  16.578  25.802  25.802
  169    HA   GLU  30           HA       GLU  30  18.199  27.888  27.888
  170   1HB   GLU  30           HB2      GLU  30  19.215  25.827  25.827
  171   2HB   GLU  30           HB1      GLU  30  18.345  24.870  24.870
  172   1HG   GLU  30           HG2      GLU  30  19.529  25.940  25.940
  173   2HG   GLU  30           HG1      GLU  30  20.263  27.106  27.106
  174    H    ARG  31           HN       ARG  31  18.238  28.435  28.435
  175    HA   ARG  31           HA       ARG  31  15.938  27.541  27.541
  176   1HB   ARG  31           HB2      ARG  31  18.105  29.610  29.610
  177   2HB   ARG  31           HB1      ARG  31  16.968  29.192  29.192
  178   1HG   ARG  31           HG2      ARG  31  15.727  30.859  30.859
  179   2HG   ARG  31           HG1      ARG  31  15.231  29.550  29.550
  180   1HD   ARG  31           HD2      ARG  31  15.971  31.591  31.591
  181   2HD   ARG  31           HD1      ARG  31  16.947  30.171  30.171
  182    HE   ARG  31           HE       ARG  31  18.794  31.278  31.278
  183   1HH1  ARG  31          HH21      ARG  31  15.803  32.636  32.636
  184   2HH1  ARG  31          HH22      ARG  31  16.554  33.934  33.934
  185   1HH2  ARG  31          HH11      ARG  31  19.783  32.967  32.967
  186   2HH2  ARG  31          HH12      ARG  31  18.803  34.122  34.122
  187    H    LEU  32           HN       LEU  32  16.133  26.451  26.451
  188    HA   LEU  32           HA       LEU  32  18.838  25.367  25.367
  189   1HB   LEU  32           HB2      LEU  32  16.263  23.807  23.807
  190   2HB   LEU  32           HB1      LEU  32  17.682  23.162  23.162
  191    HG   LEU  32           HG       LEU  32  18.725  24.179  24.179
  192   1HD1  LEU  32          HD13      LEU  32  16.082  24.171  24.171
  193   2HD1  LEU  32          HD12      LEU  32  16.451  22.493  22.493
  194   3HD1  LEU  32          HD11      LEU  32  17.292  23.803  23.803
  195   1HD2  LEU  32          HD21      LEU  32  19.258  22.031  22.031
  196   2HD2  LEU  32          HD23      LEU  32  19.069  21.835  21.835
  197   3HD2  LEU  32          HD22      LEU  32  17.770  21.346  21.346
  198    H    GLN  33           HN       GLN  33  19.226  25.147  25.147
  199    HA   GLN  33           HA       GLN  33  17.272  26.463  26.463
  200   1HB   GLN  33           HB2      GLN  33  20.150  25.719  25.719
  201   2HB   GLN  33           HB1      GLN  33  19.271  25.749  25.749
  202   1HG   GLN  33           HG2      GLN  33  18.778  28.045  28.045
  203   2HG   GLN  33           HG1      GLN  33  20.396  27.956  27.956
  204   1HE2  GLN  33          HE22      GLN  33  19.292  29.101  29.101
  205   2HE2  GLN  33          HE21      GLN  33  20.581  28.861  28.861
  206    H    ILE  34           HN       ILE  34  15.595  24.911  24.911
  207    HA   ILE  34           HA       ILE  34  15.873  22.145  22.145
  208    HB   ILE  34           HB       ILE  34  13.794  24.078  24.078
  209   1HG1  ILE  34          HG12      ILE  34  13.820  23.960  23.960
  210   2HG1  ILE  34          HG11      ILE  34  12.447  23.010  23.010
  211   1HG2  ILE  34          HG21      ILE  34  14.031  21.077  21.077
  212   2HG2  ILE  34          HG23      ILE  34  12.444  21.845  21.845
  213   3HG2  ILE  34          HG22      ILE  34  13.554  22.218  22.218
  214   1HD1  ILE  34          HD11      ILE  34  14.326  21.080  21.080
  215   2HD1  ILE  34          HD13      ILE  34  14.981  22.108  22.108
  216   3HD1  ILE  34          HD12      ILE  34  13.351  21.451  21.451
  217    H    VAL  35           HN       VAL  35  16.163  20.874  20.874
  218    HA   VAL  35           HA       VAL  35  17.152  22.364  22.364
  219    HB   VAL  35           HB       VAL  35  17.761  19.549  19.549
  220   1HG1  VAL  35          HG12      VAL  35  18.045  20.870  20.870
  221   2HG1  VAL  35          HG11      VAL  35  19.596  20.316  20.316
  222   3HG1  VAL  35          HG13      VAL  35  18.271  19.172  19.172
  223   1HG2  VAL  35          HG22      VAL  35  19.106  22.200  22.200
  224   2HG2  VAL  35          HG21      VAL  35  19.110  20.832  20.832
  225   3HG2  VAL  35          HG23      VAL  35  20.134  20.804  20.804
  226    H    ASN  36           HN       ASN  36  15.833  19.099  19.099
  227    HA   ASN  36           HA       ASN  36  13.677  19.677  19.677
  228   1HB   ASN  36           HB2      ASN  36  16.039  18.217  18.217
  229   2HB   ASN  36           HB1      ASN  36  14.700  17.071  17.071
  230   1HD2  ASN  36          HD22      ASN  36  12.875  19.312  19.312
  231   2HD2  ASN  36          HD21      ASN  36  12.604  18.914  18.914
  232    H    ASN  37           HN       ASN  37  12.807  16.981  16.981
  233    HA   ASN  37           HA       ASN  37  11.438  15.460  15.460
  234   1HB   ASN  37           HB2      ASN  37  13.237  15.915  15.915
  235   2HB   ASN  37           HB1      ASN  37  12.371  14.447  14.447
  236   1HD2  ASN  37          HD22      ASN  37  15.132  13.243  13.243
  237   2HD2  ASN  37          HD21      ASN  37  13.758  12.906  12.906
  238    H    THR  38           HN       THR  38   9.484  16.491  16.491
  239    HA   THR  38           HA       THR  38   9.246  18.213  18.213
  240    HB   THR  38           HB       THR  38   8.809  19.512  19.512
  241    HG1  THR  38           HG1      THR  38   6.806  20.211  20.211
  242   1HG2  THR  38          HG22      THR  38   7.758  17.039  17.039
  243   2HG2  THR  38          HG21      THR  38   6.449  18.220  18.220
  244   3HG2  THR  38          HG23      THR  38   7.961  18.541  18.541
  245    H    GLU  39           HN       GLU  39   8.328  15.286  15.286
  246    HA   GLU  39           HA       GLU  39   6.061  15.020  15.020
  247   1HB   GLU  39           HB2      GLU  39   6.215  14.462  14.462
  248   2HB   GLU  39           HB1      GLU  39   5.702  13.048  13.048
  249   1HG   GLU  39           HG2      GLU  39   4.370  15.354  15.354
  250   2HG   GLU  39           HG1      GLU  39   4.157  15.343  15.343
  251    H    GLY  40           HN       GLY  40   8.972  13.623  13.623
  252   1HA   GLY  40           HA2      GLY  40   8.818  10.976  10.976
  253   2HA   GLY  40           HA1      GLY  40  10.324  11.887  11.887
  254    H    ASP  41           HN       ASP  41  10.471  10.305  10.305
  255    HA   ASP  41           HA       ASP  41   9.278  11.559  11.559
  256   1HB   ASP  41           HB2      ASP  41  10.739   8.992   8.992
  257   2HB   ASP  41           HB1      ASP  41  10.648   9.601   9.601
  258    H    TRP  42           HN       TRP  42  12.207  11.586  11.586
  259    HA   TRP  42           HA       TRP  42  13.457  13.246  13.246
  260   1HB   TRP  42           HB2      TRP  42  14.737  10.895  10.895
  261   2HB   TRP  42           HB1      TRP  42  15.663  12.116  12.116
  262    HD1  TRP  42           HD1      TRP  42  13.092   9.281   9.281
  263    HE1  TRP  42           HE1      TRP  42  13.202   8.784   8.784
  264    HE3  TRP  42           HE3      TRP  42  16.112  12.952  12.952
  265    HZ2  TRP  42           HZ2      TRP  42  14.497   9.887   9.887
  266    HZ3  TRP  42           HZ3      TRP  42  16.808  13.274  13.274
  267    HH2  TRP  42           HH2      TRP  42  16.001  11.742  11.742
  268    H    TRP  43           HN       TRP  43  14.375  15.079  15.079
  269    HA   TRP  43           HA       TRP  43  14.716  15.167  15.167
  270   1HB   TRP  43           HB2      TRP  43  14.145  17.557  17.557
  271   2HB   TRP  43           HB1      TRP  43  14.016  17.445  17.445
  272    HD1  TRP  43           HD1      TRP  43  12.447  14.492  14.492
  273    HE1  TRP  43           HE1      TRP  43  10.001  14.653  14.653
  274    HE3  TRP  43           HE3      TRP  43  12.462  18.997  18.997
  275    HZ2  TRP  43           HZ2      TRP  43   8.174  16.586  16.586
  276    HZ3  TRP  43           HZ3      TRP  43  10.432  20.033  20.033
  277    HH2  TRP  43           HH2      TRP  43   8.287  18.830  18.830
  278    H    LEU  44           HN       LEU  44  16.442  16.662  16.662
  279    HA   LEU  44           HA       LEU  44  18.763  16.522  16.522
  280   1HB   LEU  44           HB2      LEU  44  18.956  15.740  15.740
  281   2HB   LEU  44           HB1      LEU  44  18.670  17.400  17.400
  282    HG   LEU  44           HG       LEU  44  20.849  16.777  16.777
  283   1HD1  LEU  44          HD11      LEU  44  20.757  15.659  15.659
  284   2HD1  LEU  44          HD13      LEU  44  21.769  17.090  17.090
  285   3HD1  LEU  44          HD12      LEU  44  22.197  15.857  15.857
  286   1HD2  LEU  44          HD22      LEU  44  20.138  18.998  18.998
  287   2HD2  LEU  44          HD21      LEU  44  20.513  19.092  19.092
  288   3HD2  LEU  44          HD23      LEU  44  21.802  18.802  18.802
  289    H    ALA  45           HN       ALA  45  19.456  18.315  18.315
  290    HA   ALA  45           HA       ALA  45  18.555  20.972  20.972
  291   1HB   ALA  45           HB3      ALA  45  17.344  20.115  20.115
  292   2HB   ALA  45           HB2      ALA  45  18.880  20.334  20.334
  293   3HB   ALA  45           HB1      ALA  45  18.069  21.719  21.719
  294    H    HIS  46           HN       HIS  46  19.965  22.773  22.773
  295    HA   HIS  46           HA       HIS  46  22.761  21.867  21.867
  296   1HB   HIS  46           HB2      HIS  46  22.941  22.508  22.508
  297   2HB   HIS  46           HB1      HIS  46  21.678  23.727  23.727
  298    HD1  HIS  46           HD1      HIS  46  25.273  23.364  23.364
  299    HD2  HIS  46           HD2      HIS  46  22.517  26.171  26.171
  300    HE1  HIS  46           HE1      HIS  46  26.553  25.390  25.390
  301    H    SER  47           HN       SER  47  23.382  22.670  22.670
  302    HA   SER  47           HA       SER  47  21.933  24.733  24.733
  303   1HB   SER  47           HB2      SER  47  24.486  23.237  23.237
  304   2HB   SER  47           HB1      SER  47  24.215  24.713  24.713
  305    HG   SER  47           HG       SER  47  23.074  22.273  22.273
  306    H    LEU  48           HN       LEU  48  22.232  26.931  26.931
  307    HA   LEU  48           HA       LEU  48  24.124  28.037  28.037
  308   1HB   LEU  48           HB2      LEU  48  22.083  29.342  29.342
  309   2HB   LEU  48           HB1      LEU  48  23.070  30.219  30.219
  310    HG   LEU  48           HG       LEU  48  21.388  27.857  27.857
  311   1HD1  LEU  48          HD11      LEU  48  19.991  29.627  29.627
  312   2HD1  LEU  48          HD13      LEU  48  20.510  30.754  30.754
  313   3HD1  LEU  48          HD12      LEU  48  19.559  29.332  29.332
  314   1HD2  LEU  48          HD21      LEU  48  22.880  30.097  30.097
  315   2HD2  LEU  48          HD23      LEU  48  22.789  28.395  28.395
  316   3HD2  LEU  48          HD22      LEU  48  21.438  29.475  29.475
  317    H    THR  49           HN       THR  49  24.714  26.863  26.863
  318    HA   THR  49           HA       THR  49  26.101  29.163  29.163
  319    HB   THR  49           HB       THR  49  25.847  26.248  26.248
  320    HG1  THR  49           HG1      THR  49  24.915  28.699  28.699
  321   1HG2  THR  49          HG21      THR  49  27.415  28.480  28.480
  322   2HG2  THR  49          HG23      THR  49  27.009  26.959  26.959
  323   3HG2  THR  49          HG22      THR  49  28.054  26.959  26.959
  324    H    THR  50           HN       THR  50  27.382  25.874  25.874
  325    HA   THR  50           HA       THR  50  29.976  27.053  27.053
  326    HB   THR  50           HB       THR  50  29.100  24.195  24.195
  327    HG1  THR  50           HG1      THR  50  29.543  24.759  24.759
  328   1HG2  THR  50          HG23      THR  50  31.666  25.373  25.373
  329   2HG2  THR  50          HG22      THR  50  31.726  23.968  23.968
  330   3HG2  THR  50          HG21      THR  50  30.864  23.876  23.876
  331    H    GLY  51           HN       GLY  51  27.829  24.504  24.504
  332   1HA   GLY  51           HA2      GLY  51  27.185  25.006  25.006
  333   2HA   GLY  51           HA1      GLY  51  28.922  25.180  25.180
  334    H    GLN  52           HN       GLN  52  26.881  22.795  22.795
  335    HA   GLN  52           HA       GLN  52  28.276  20.670  20.670
  336   1HB   GLN  52           HB2      GLN  52  27.249  20.294  20.294
  337   2HB   GLN  52           HB1      GLN  52  28.378  19.276  19.276
  338   1HG   GLN  52           HG2      GLN  52  29.033  22.156  22.156
  339   2HG   GLN  52           HG1      GLN  52  29.355  20.882  20.882
  340   1HE2  GLN  52          HE22      GLN  52  32.490  20.900  20.900
  341   2HE2  GLN  52          HE21      GLN  52  31.705  21.666  21.666
  342    H    THR  53           HN       THR  53  26.957  19.034  19.034
  343    HA   THR  53           HA       THR  53  24.091  19.611  19.611
  344    HB   THR  53           HB       THR  53  25.847  17.460  17.460
  345    HG1  THR  53           HG1      THR  53  24.515  19.770  19.770
  346   1HG2  THR  53          HG21      THR  53  22.843  17.676  17.676
  347   2HG2  THR  53          HG23      THR  53  23.656  16.909  16.909
  348   3HG2  THR  53          HG22      THR  53  23.855  16.255  16.255
  349    H    GLY  54           HN       GLY  54  22.445  18.042  18.042
  350   1HA   GLY  54           HA2      GLY  54  23.084  15.728  15.728
  351   2HA   GLY  54           HA1      GLY  54  22.743  17.097  17.097
  352    H    TYR  55           HN       TYR  55  21.325  14.522  14.522
  353    HA   TYR  55           HA       TYR  55  18.827  15.621  15.621
  354   1HB   TYR  55           HB2      TYR  55  19.115  12.856  12.856
  355   2HB   TYR  55           HB1      TYR  55  18.095  13.393  13.393
  356    HD1  TYR  55           HD1      TYR  55  19.666  14.723  14.723
  357    HD2  TYR  55           HD2      TYR  55  20.893  11.510  11.510
  358    HE1  TYR  55           HE1      TYR  55  21.437  14.155  14.155
  359    HE2  TYR  55           HE2      TYR  55  22.665  10.943  10.943
  360    HH   TYR  55           HH       TYR  55  22.755  11.907  11.907
  361    H    ILE  56           HN       ILE  56  17.721  16.904  16.904
  362    HA   ILE  56           HA       ILE  56  17.589  16.174  16.174
  363    HB   ILE  56           HB       ILE  56  16.244  18.235  18.235
  364   1HG1  ILE  56          HG12      ILE  56  16.431  19.445  19.445
  365   2HG1  ILE  56          HG11      ILE  56  15.950  17.792  17.792
  366   1HG2  ILE  56          HG22      ILE  56  18.835  18.246  18.246
  367   2HG2  ILE  56          HG21      ILE  56  18.011  19.776  19.776
  368   3HG2  ILE  56          HG23      ILE  56  18.514  18.761  18.761
  369   1HD1  ILE  56          HD11      ILE  56  14.367  18.412  18.412
  370   2HD1  ILE  56          HD13      ILE  56  14.416  19.930  19.930
  371   3HD1  ILE  56          HD12      ILE  56  13.845  18.460  18.460
  372    HA   PRO  57           HA       PRO  57  13.945  13.743  13.743
  373   1HB   PRO  57           HB2      PRO  57  12.969  14.621  14.621
  374   2HB   PRO  57           HB1      PRO  57  13.826  13.121  13.121
  375   1HG   PRO  57           HG2      PRO  57  14.829  15.429  15.429
  376   2HG   PRO  57           HG1      PRO  57  15.675  13.918  13.918
  377   1HD   PRO  57           HD1      PRO  57  16.098  16.504  16.504
  378   2HD   PRO  57           HD2      PRO  57  16.947  14.987  14.987
  379    H    SER  58           HN       SER  58  11.877  14.130  14.130
  380    HA   SER  58           HA       SER  58  11.045  16.865  16.865
  381   1HB   SER  58           HB2      SER  58   9.547  15.946  15.946
  382   2HB   SER  58           HB1      SER  58  10.513  14.490  14.490
  383    HG   SER  58           HG       SER  58   8.472  13.880  13.880
  384    H    ASN  59           HN       ASN  59  10.325  14.435  14.435
  385    HA   ASN  59           HA       ASN  59   7.986  15.870  15.870
  386   1HB   ASN  59           HB2      ASN  59   7.952  14.124  14.124
  387   2HB   ASN  59           HB1      ASN  59   8.199  13.387  13.387
  388   1HD2  ASN  59          HD22      ASN  59  10.760  12.254  12.254
  389   2HD2  ASN  59          HD21      ASN  59   9.087  12.502  12.502
  390    H    TYR  60           HN       TYR  60  11.000  16.869  16.869
  391    HA   TYR  60           HA       TYR  60  10.889  17.816  17.816
  392   1HB   TYR  60           HB2      TYR  60  13.147  16.694  16.694
  393   2HB   TYR  60           HB1      TYR  60  13.514  18.028  18.028
  394    HD1  TYR  60           HD2      TYR  60  11.470  14.879  14.879
  395    HD2  TYR  60           HD1      TYR  60  14.105  17.432  17.432
  396    HE1  TYR  60           HE2      TYR  60  11.420  13.330  13.330
  397    HE2  TYR  60           HE1      TYR  60  14.055  15.884  15.884
  398    HH   TYR  60           HH       TYR  60  12.590  12.741  12.741
  399    H    VAL  61           HN       VAL  61  10.877  18.677  18.677
  400    HA   VAL  61           HA       VAL  61  11.558  21.493  21.493
  401    HB   VAL  61           HB       VAL  61  13.310  20.534  20.534
  402   1HG1  VAL  61          HG13      VAL  61  10.923  19.758  19.758
  403   2HG1  VAL  61          HG12      VAL  61  12.406  20.167  20.167
  404   3HG1  VAL  61          HG11      VAL  61  12.402  18.850  18.850
  405   1HG2  VAL  61          HG21      VAL  61  12.606  22.934  22.934
  406   2HG2  VAL  61          HG23      VAL  61  13.356  22.257  22.257
  407   3HG2  VAL  61          HG22      VAL  61  11.605  22.443  22.443
  408    H    ALA  62           HN       ALA  62  10.566  23.057  23.057
  409    HA   ALA  62           HA       ALA  62   8.167  22.158  22.158
  410   1HB   ALA  62           HB1      ALA  62   8.038  23.309  23.309
  411   2HB   ALA  62           HB3      ALA  62   6.967  24.072  24.072
  412   3HB   ALA  62           HB2      ALA  62   6.849  22.339  22.339
  413    HA   PRO  63           HA       PRO  63   9.272  25.643  25.643
  414   1HB   PRO  63           HB2      PRO  63   6.560  26.111  26.111
  415   2HB   PRO  63           HB1      PRO  63   7.849  25.303  25.303
  416   1HG   PRO  63           HG2      PRO  63   5.534  24.100  24.100
  417   2HG   PRO  63           HG1      PRO  63   6.821  23.292  23.292
  418   1HD   PRO  63           HD1      PRO  63   6.351  23.238  23.238
  419   2HD   PRO  63           HD2      PRO  63   7.640  22.424  22.424
  420    H    SER  64           HN       SER  64   9.761  27.268  27.268
  421    HA   SER  64           HA       SER  64   7.713  29.312  29.312
  422   1HB   SER  64           HB2      SER  64   7.649  29.265  29.265
  423   2HB   SER  64           HB1      SER  64   7.294  27.628  27.628
  424    HG   SER  64           HG       SER  64   9.046  28.160  28.160
  425   1H    ALA  71           HT1      ALA  71   7.348  13.237  13.237
  426   2H    ALA  71           HT3      ALA  71   5.654  13.301  13.301
  427   3H    ALA  71           HT2      ALA  71   6.406  12.742  12.742
  428    HA   ALA  71           HA       ALA  71   5.721  14.921  14.921
  429   1HB   ALA  71           HB2      ALA  71   6.987  15.619  15.619
  430   2HB   ALA  71           HB1      ALA  71   6.379  16.806  16.806
  431   3HB   ALA  71           HB3      ALA  71   5.268  15.667  15.667
  432    H    PHE  72           HN       PHE  72   7.330  14.172  14.172
  433    HA   PHE  72           HA       PHE  72   9.774  15.819  15.819
  434   1HB   PHE  72           HB2      PHE  72  10.053  13.313  13.313
  435   2HB   PHE  72           HB1      PHE  72  10.231  12.982  12.982
  436    HD1  PHE  72           HD1      PHE  72  11.280  15.881  15.881
  437    HD2  PHE  72           HD2      PHE  72  12.516  12.777  12.777
  438    HE1  PHE  72           HE1      PHE  72  13.582  16.733  16.733
  439    HE2  PHE  72           HE2      PHE  72  14.817  13.633  13.633
  440    HZ   PHE  72           HZ       PHE  72  15.353  15.610  15.610
  441    H    ALA  73           HN       ALA  73  11.078  15.060  15.060
  442    HA   ALA  73           HA       ALA  73   9.351  15.915  15.915
  443   1HB   ALA  73           HB3      ALA  73  11.804  16.306  16.306
  444   2HB   ALA  73           HB2      ALA  73  12.066  14.571  14.571
  445   3HB   ALA  73           HB1      ALA  73  11.280  15.486  15.486
  446    HA   PRO  74           HA       PRO  74   7.458  12.193  12.193
  447   1HB   PRO  74           HB2      PRO  74   7.750  12.771  12.771
  448   2HB   PRO  74           HB1      PRO  74   6.315  12.982  12.982
  449   1HG   PRO  74           HG2      PRO  74   8.050  15.034  15.034
  450   2HG   PRO  74           HG1      PRO  74   6.607  15.247  15.247
  451   1HD   PRO  74           HD1      PRO  74   9.364  15.600  15.600
  452   2HD   PRO  74           HD2      PRO  74   7.916  15.805  15.805
  453    HA   PRO  75           HA       PRO  75  10.741   9.393   9.393
  454   1HB   PRO  75           HB2      PRO  75   9.012   7.518   7.518
  455   2HB   PRO  75           HB1      PRO  75   9.618   7.448   7.448
  456   1HG   PRO  75           HG2      PRO  75   6.933   8.052   8.052
  457   2HG   PRO  75           HG1      PRO  75   7.537   7.975   7.975
  458   1HD   PRO  75           HD1      PRO  75   6.818  10.323  10.323
  459   2HD   PRO  75           HD2      PRO  75   7.423  10.247  10.247
  460    H    LEU  76           HN       LEU  76  11.809   8.329   8.329
  461    HA   LEU  76           HA       LEU  76  11.421   9.975   9.975
  462   1HB   LEU  76           HB2      LEU  76  13.508   7.863   7.863
  463   2HB   LEU  76           HB1      LEU  76  13.531   8.960   8.960
  464    HG   LEU  76           HG       LEU  76  13.426   9.965   9.965
  465   1HD1  LEU  76          HD12      LEU  76  15.667   8.801   8.801
  466   2HD1  LEU  76          HD11      LEU  76  15.995  10.422  10.422
  467   3HD1  LEU  76          HD13      LEU  76  15.527   9.138   9.138
  468   1HD2  LEU  76          HD22      LEU  76  13.186  11.178  11.178
  469   2HD2  LEU  76          HD21      LEU  76  13.384  11.991  11.991
  470   3HD2  LEU  76          HD23      LEU  76  14.799  11.593  11.593
  471    HA   PRO  77           HA       PRO  77   9.040   6.944   6.944
  472   1HB   PRO  77           HB2      PRO  77  10.128   7.670   7.670
  473   2HB   PRO  77           HB1      PRO  77   8.576   8.150   8.150
  474   1HG   PRO  77           HG2      PRO  77  10.930   9.782   9.782
  475   2HG   PRO  77           HG1      PRO  77   9.374  10.265  10.265
  476   1HD   PRO  77           HD1      PRO  77  11.869   9.841   9.841
  477   2HD   PRO  77           HD2      PRO  77  10.310  10.336  10.336
  478    H    ARG  78           HN       ARG  78   9.603   5.379   5.379
  479    HA   ARG  78           HA       ARG  78  11.958   3.840   3.840
  480   1HB   ARG  78           HB2      ARG  78   9.470   3.059   3.059
  481   2HB   ARG  78           HB1      ARG  78  10.401   2.855   2.855
  482   1HG   ARG  78           HG2      ARG  78  11.177   0.912   0.912
  483   2HG   ARG  78           HG1      ARG  78  12.036   1.844   1.844
  484   1HD   ARG  78           HD2      ARG  78   9.268   0.635   0.635
  485   2HD   ARG  78           HD1      ARG  78  10.670   0.292   0.292
  486    HE   ARG  78           HE       ARG  78   8.849   2.548   2.548
  487   1HH1  ARG  78          HH21      ARG  78  12.038   1.310   1.310
  488   2HH1  ARG  78          HH22      ARG  78  12.392   2.371   2.371
  489   1HH2  ARG  78          HH11      ARG  78   9.300   3.936   3.936
  490   2HH2  ARG  78          HH12      ARG  78  10.845   3.855   3.855
  491    H    ARG  79           HN       ARG  79  13.777   4.878   4.878
  492    HA   ARG  79           HA       ARG  79  14.015   6.143   6.143
  493   1HB   ARG  79           HB2      ARG  79  15.788   5.276   5.276
  494   2HB   ARG  79           HB1      ARG  79  16.491   4.858   4.858
  495   1HG   ARG  79           HG2      ARG  79  15.861   7.266   7.266
  496   2HG   ARG  79           HG1      ARG  79  15.663   7.576   7.576
  497   1HD   ARG  79           HD2      ARG  79  18.129   6.149   6.149
  498   2HD   ARG  79           HD1      ARG  79  18.077   7.577   7.577
  499    HE   ARG  79           HE       ARG  79  17.259   8.508   8.508
  500   1HH1  ARG  79          HH21      ARG  79  19.955   6.767   6.767
  501   2HH1  ARG  79          HH22      ARG  79  21.075   7.398   7.398
  502   1HH2  ARG  79          HH11      ARG  79  18.711   9.335   9.335
  503   2HH2  ARG  79          HH12      ARG  79  20.373   8.849   8.849

  Start of MODEL    7
    1   1H    THR   9           HT1      THR   9  13.366  27.192  27.192
    2   2H    THR   9           HT3      THR   9  12.716  28.385  28.385
    3   3H    THR   9           HT2      THR   9  14.356  28.443  28.443
    4    HA   THR   9           HA       THR   9  13.957  29.427  29.427
    5    HB   THR   9           HB       THR   9  11.106  29.892  29.892
    6    HG1  THR   9           HG1      THR   9  11.891  31.282  31.282
    7   1HG2  THR   9          HG21      THR   9  12.973  31.124  31.124
    8   2HG2  THR   9          HG23      THR   9  13.069  32.092  32.092
    9   3HG2  THR   9          HG22      THR   9  11.529  31.914  31.914
   10    H    PHE  10           HN       PHE  10  13.830  26.850  26.850
   11    HA   PHE  10           HA       PHE  10  11.252  26.445  26.445
   12   1HB   PHE  10           HB2      PHE  10  13.387  24.583  24.583
   13   2HB   PHE  10           HB1      PHE  10  12.342  24.080  24.080
   14    HD1  PHE  10           HD1      PHE  10  11.477  26.263  26.263
   15    HD2  PHE  10           HD2      PHE  10  10.911  22.478  22.478
   16    HE1  PHE  10           HE1      PHE  10   9.681  25.743  25.743
   17    HE2  PHE  10           HE2      PHE  10   9.116  21.961  21.961
   18    HZ   PHE  10           HZ       PHE  10   8.500  23.592  23.592
   19    H    VAL  11           HN       VAL  11  11.351  25.805  25.805
   20    HA   VAL  11           HA       VAL  11  13.925  26.558  26.558
   21    HB   VAL  11           HB       VAL  11  11.157  26.941  26.941
   22   1HG1  VAL  11          HG11      VAL  11  13.193  26.796  26.796
   23   2HG1  VAL  11          HG13      VAL  11  13.797  28.245  28.245
   24   3HG1  VAL  11          HG12      VAL  11  12.293  28.307  28.307
   25   1HG2  VAL  11          HG23      VAL  11  12.919  28.907  28.907
   26   2HG2  VAL  11          HG22      VAL  11  11.332  28.327  28.327
   27   3HG2  VAL  11          HG21      VAL  11  11.483  29.352  29.352
   28    H    ALA  12           HN       ALA  12  14.565  25.247  25.247
   29    HA   ALA  12           HA       ALA  12  13.444  22.550  22.550
   30   1HB   ALA  12           HB1      ALA  12  15.723  23.924  23.924
   31   2HB   ALA  12           HB3      ALA  12  15.175  22.341  22.341
   32   3HB   ALA  12           HB2      ALA  12  15.767  22.544  22.544
   33    H    LEU  13           HN       LEU  13  11.528  22.257  22.257
   34    HA   LEU  13           HA       LEU  13  10.700  23.918  23.918
   35   1HB   LEU  13           HB2      LEU  13   9.503  21.259  21.259
   36   2HB   LEU  13           HB1      LEU  13   8.711  22.592  22.592
   37    HG   LEU  13           HG       LEU  13   9.680  22.564  22.564
   38   1HD1  LEU  13          HD13      LEU  13   7.169  22.001  22.001
   39   2HD1  LEU  13          HD12      LEU  13   6.996  23.405  23.405
   40   3HD1  LEU  13          HD11      LEU  13   7.571  21.874  21.874
   41   1HD2  LEU  13          HD22      LEU  13  10.135  24.744  24.744
   42   2HD2  LEU  13          HD21      LEU  13   8.846  24.878  24.878
   43   3HD2  LEU  13          HD23      LEU  13   8.453  24.826  24.826
   44    H    TYR  14           HN       TYR  14  11.671  20.474  20.474
   45    HA   TYR  14           HA       TYR  14  12.043  20.483  20.483
   46   1HB   TYR  14           HB2      TYR  14  12.115  17.970  17.970
   47   2HB   TYR  14           HB1      TYR  14  11.579  18.206  18.206
   48    HD1  TYR  14           HD1      TYR  14   9.860  20.713  20.713
   49    HD2  TYR  14           HD2      TYR  14  10.086  16.856  16.856
   50    HE1  TYR  14           HE1      TYR  14   7.559  20.953  20.953
   51    HE2  TYR  14           HE2      TYR  14   7.779  17.089  17.089
   52    HH   TYR  14           HH       TYR  14   6.241  19.594  19.594
   53    H    ASP  15           HN       ASP  15  13.907  18.925  18.925
   54    HA   ASP  15           HA       ASP  15  16.319  19.832  19.832
   55   1HB   ASP  15           HB2      ASP  15  16.409  20.020  20.020
   56   2HB   ASP  15           HB1      ASP  15  15.892  18.347  18.347
   57    H    TYR  16           HN       TYR  16  17.096  18.608  18.608
   58    HA   TYR  16           HA       TYR  16  16.471  15.715  15.715
   59   1HB   TYR  16           HB2      TYR  16  16.203  17.043  17.043
   60   2HB   TYR  16           HB1      TYR  16  17.883  17.569  17.569
   61    HD1  TYR  16           HD1      TYR  16  15.826  14.460  14.460
   62    HD2  TYR  16           HD2      TYR  16  19.536  16.286  16.286
   63    HE1  TYR  16           HE1      TYR  16  16.482  12.455  12.455
   64    HE2  TYR  16           HE2      TYR  16  20.211  14.266  14.266
   65    HH   TYR  16           HH       TYR  16  18.103  11.904  11.904
   66    H    GLU  17           HN       GLU  17  17.883  14.373  14.373
   67    HA   GLU  17           HA       GLU  17  20.746  15.199  15.199
   68   1HB   GLU  17           HB2      GLU  17  19.446  14.676  14.676
   69   2HB   GLU  17           HB1      GLU  17  19.364  13.004  13.004
   70   1HG   GLU  17           HG2      GLU  17  21.853  12.963  12.963
   71   2HG   GLU  17           HG1      GLU  17  21.891  14.602  14.602
   72    H    SER  18           HN       SER  18  21.388  14.457  14.457
   73    HA   SER  18           HA       SER  18  20.796  12.127  12.127
   74   1HB   SER  18           HB2      SER  18  22.528  13.973  13.973
   75   2HB   SER  18           HB1      SER  18  23.676  12.964  12.964
   76    HG   SER  18           HG       SER  18  23.173  11.262  11.262
   77    H    ARG  19           HN       ARG  19  22.109  10.049  10.049
   78    HA   ARG  19           HA       ARG  19  22.806   9.148   9.148
   79   1HB   ARG  19           HB2      ARG  19  21.880   7.487   7.487
   80   2HB   ARG  19           HB1      ARG  19  22.173   6.897   6.897
   81   1HG   ARG  19           HG2      ARG  19  20.404   8.418   8.418
   82   2HG   ARG  19           HG1      ARG  19  20.093   8.955   8.955
   83   1HD   ARG  19           HD2      ARG  19  18.523   7.153   7.153
   84   2HD   ARG  19           HD1      ARG  19  19.412   6.728   6.728
   85    HE   ARG  19           HE       ARG  19  20.745   5.853   5.853
   86   1HH1  ARG  19          HH21      ARG  19  18.362   5.173   5.173
   87   2HH1  ARG  19          HH22      ARG  19  18.433   3.459   3.459
   88   1HH2  ARG  19          HH11      ARG  19  20.844   3.622   3.622
   89   2HH2  ARG  19          HH12      ARG  19  19.837   2.580   2.580
   90    H    THR  20           HN       THR  20  23.821   9.169   9.169
   91    HA   THR  20           HA       THR  20  26.515   8.274   8.274
   92    HB   THR  20           HB       THR  20  25.127   6.466   6.466
   93    HG1  THR  20           HG1      THR  20  27.020   5.700   5.700
   94   1HG2  THR  20          HG21      THR  20  24.706   8.498   8.498
   95   2HG2  THR  20          HG23      THR  20  25.980   7.557   7.557
   96   3HG2  THR  20          HG22      THR  20  24.461   6.781   6.781
   97    H    GLU  21           HN       GLU  21  27.714   8.472   8.472
   98    HA   GLU  21           HA       GLU  21  27.827  11.414  11.414
   99   1HB   GLU  21           HB2      GLU  21  29.562   9.128   9.128
  100   2HB   GLU  21           HB1      GLU  21  29.632  10.552  10.552
  101   1HG   GLU  21           HG2      GLU  21  31.184  11.220  11.220
  102   2HG   GLU  21           HG1      GLU  21  29.737  11.767  11.767
  103    H    THR  22           HN       THR  22  25.388  10.495  10.495
  104    HA   THR  22           HA       THR  22  25.655  10.545  10.545
  105    HB   THR  22           HB       THR  22  23.187   9.742   9.742
  106    HG1  THR  22           HG1      THR  22  25.533   8.351   8.351
  107   1HG2  THR  22          HG21      THR  22  24.125   9.652   9.652
  108   2HG2  THR  22          HG23      THR  22  23.090   8.342   8.342
  109   3HG2  THR  22          HG22      THR  22  22.522  10.011  10.011
  110    H    ASP  23           HN       ASP  23  23.670  11.791  11.791
  111    HA   ASP  23           HA       ASP  23  23.072  14.186  14.186
  112   1HB   ASP  23           HB2      ASP  23  21.265  13.358  13.358
  113   2HB   ASP  23           HB1      ASP  23  20.875  14.232  14.232
  114    H    LEU  24           HN       LEU  24  22.792  16.203  16.203
  115    HA   LEU  24           HA       LEU  24  24.752  16.281  16.281
  116   1HB   LEU  24           HB2      LEU  24  23.124  18.621  18.621
  117   2HB   LEU  24           HB1      LEU  24  24.723  18.633  18.633
  118    HG   LEU  24           HG       LEU  24  24.200  17.266  17.266
  119   1HD1  LEU  24          HD13      LEU  24  24.242  20.112  20.112
  120   2HD1  LEU  24          HD12      LEU  24  25.560  19.669  19.669
  121   3HD1  LEU  24          HD11      LEU  24  23.892  19.302  19.302
  122   1HD2  LEU  24          HD21      LEU  24  26.441  17.571  17.571
  123   2HD2  LEU  24          HD23      LEU  24  26.361  16.689  16.689
  124   3HD2  LEU  24          HD22      LEU  24  26.794  18.399  18.399
  125    H    SER  25           HN       SER  25  24.055  17.800  17.800
  126    HA   SER  25           HA       SER  25  21.353  16.897  16.897
  127   1HB   SER  25           HB2      SER  25  24.000  17.125  17.125
  128   2HB   SER  25           HB1      SER  25  22.617  17.649  17.649
  129    HG   SER  25           HG       SER  25  23.193  15.127  15.127
  130    H    PHE  26           HN       PHE  26  19.897  18.568  18.568
  131    HA   PHE  26           HA       PHE  26  20.977  21.306  21.306
  132   1HB   PHE  26           HB2      PHE  26  19.174  22.218  22.218
  133   2HB   PHE  26           HB1      PHE  26  20.042  21.010  21.010
  134    HD1  PHE  26           HD2      PHE  26  16.987  21.606  21.606
  135    HD2  PHE  26           HD1      PHE  26  18.908  19.044  19.044
  136    HE1  PHE  26           HE2      PHE  26  14.858  20.432  20.432
  137    HE2  PHE  26           HE1      PHE  26  16.780  17.869  17.869
  138    HZ   PHE  26           HZ       PHE  26  14.755  18.573  18.573
  139    H    LYS  27           HN       LYS  27  19.290  22.784  22.784
  140    HA   LYS  27           HA       LYS  27  17.550  21.216  21.216
  141   1HB   LYS  27           HB2      LYS  27  19.610  23.302  23.302
  142   2HB   LYS  27           HB1      LYS  27  18.156  23.254  23.254
  143   1HG   LYS  27           HG2      LYS  27  18.568  20.819  20.819
  144   2HG   LYS  27           HG1      LYS  27  20.083  20.965  20.965
  145   1HD   LYS  27           HD2      LYS  27  21.079  22.287  22.287
  146   2HD   LYS  27           HD1      LYS  27  19.530  22.843  22.843
  147   1HE   LYS  27           HE2      LYS  27  19.327  21.059  21.059
  148   2HE   LYS  27           HE1      LYS  27  19.911  19.928  19.928
  149   1HZ   LYS  27           HZ2      LYS  27  22.061  21.526  21.526
  150   2HZ   LYS  27           HZ1      LYS  27  21.322  21.107  21.107
  151   3HZ   LYS  27           HZ3      LYS  27  21.829  19.892  19.892
  152    H    LYS  28           HN       LYS  28  16.002  22.880  22.880
  153    HA   LYS  28           HA       LYS  28  14.466  24.157  24.157
  154   1HB   LYS  28           HB2      LYS  28  13.133  23.292  23.292
  155   2HB   LYS  28           HB1      LYS  28  14.208  23.880  23.880
  156   1HG   LYS  28           HG2      LYS  28  12.096  25.193  25.193
  157   2HG   LYS  28           HG1      LYS  28  13.515  26.188  26.188
  158   1HD   LYS  28           HD2      LYS  28  12.990  25.395  25.395
  159   2HD   LYS  28           HD1      LYS  28  11.358  25.298  25.298
  160   1HE   LYS  28           HE2      LYS  28  12.814  27.735  27.735
  161   2HE   LYS  28           HE1      LYS  28  12.525  27.599  27.599
  162   1HZ   LYS  28           HZ3      LYS  28  10.169  27.088  27.088
  163   2HZ   LYS  28           HZ2      LYS  28  10.514  27.496  27.496
  164   3HZ   LYS  28           HZ1      LYS  28  10.656  28.667  28.667
  165    H    GLY  29           HN       GLY  29  15.273  26.006  26.006
  166   1HA   GLY  29           HA2      GLY  29  15.235  28.515  28.515
  167   2HA   GLY  29           HA1      GLY  29  16.664  27.969  27.969
  168    H    GLU  30           HN       GLU  30  17.461  26.140  26.140
  169    HA   GLU  30           HA       GLU  30  18.798  28.178  28.178
  170   1HB   GLU  30           HB2      GLU  30  20.010  26.189  26.189
  171   2HB   GLU  30           HB1      GLU  30  19.153  25.174  25.174
  172   1HG   GLU  30           HG2      GLU  30  20.254  26.120  26.120
  173   2HG   GLU  30           HG1      GLU  30  20.662  27.594  27.594
  174    H    ARG  31           HN       ARG  31  18.474  28.374  28.374
  175    HA   ARG  31           HA       ARG  31  16.051  27.008  27.008
  176   1HB   ARG  31           HB2      ARG  31  17.623  29.357  29.357
  177   2HB   ARG  31           HB1      ARG  31  16.105  28.737  28.737
  178   1HG   ARG  31           HG2      ARG  31  15.135  30.266  30.266
  179   2HG   ARG  31           HG1      ARG  31  15.472  29.095  29.095
  180   1HD   ARG  31           HD2      ARG  31  16.445  31.049  31.049
  181   2HD   ARG  31           HD1      ARG  31  17.820  30.253  30.253
  182    HE   ARG  31           HE       ARG  31  16.577  31.953  31.953
  183   1HH1  ARG  31          HH21      ARG  31  18.359  32.038  32.038
  184   2HH1  ARG  31          HH22      ARG  31  19.086  33.574  33.574
  185   1HH2  ARG  31          HH11      ARG  31  17.519  33.957  33.957
  186   2HH2  ARG  31          HH12      ARG  31  18.612  34.658  34.658
  187    H    LEU  32           HN       LEU  32  16.149  25.673  25.673
  188    HA   LEU  32           HA       LEU  32  18.898  25.092  25.092
  189   1HB   LEU  32           HB2      LEU  32  16.569  23.340  23.340
  190   2HB   LEU  32           HB1      LEU  32  17.599  22.863  22.863
  191    HG   LEU  32           HG       LEU  32  19.493  23.512  23.512
  192   1HD1  LEU  32          HD12      LEU  32  17.032  22.597  22.597
  193   2HD1  LEU  32          HD11      LEU  32  18.658  22.382  22.382
  194   3HD1  LEU  32          HD13      LEU  32  18.044  24.004  24.004
  195   1HD2  LEU  32          HD23      LEU  32  18.138  21.027  21.027
  196   2HD2  LEU  32          HD22      LEU  32  19.856  21.427  21.427
  197   3HD2  LEU  32          HD21      LEU  32  19.066  20.889  20.889
  198    H    GLN  33           HN       GLN  33  19.129  24.839  24.839
  199    HA   GLN  33           HA       GLN  33  16.977  26.148  26.148
  200   1HB   GLN  33           HB2      GLN  33  19.524  26.704  26.704
  201   2HB   GLN  33           HB1      GLN  33  19.625  25.248  25.248
  202   1HG   GLN  33           HG2      GLN  33  18.859  26.400  26.400
  203   2HG   GLN  33           HG1      GLN  33  17.376  26.774  26.774
  204   1HE2  GLN  33          HE22      GLN  33  18.412  30.163  30.163
  205   2HE2  GLN  33          HE21      GLN  33  17.306  28.986  28.986
  206    H    ILE  34           HN       ILE  34  15.447  24.431  24.431
  207    HA   ILE  34           HA       ILE  34  15.853  21.747  21.747
  208    HB   ILE  34           HB       ILE  34  13.760  23.538  23.538
  209   1HG1  ILE  34          HG12      ILE  34  13.687  23.685  23.685
  210   2HG1  ILE  34          HG11      ILE  34  12.348  22.671  22.671
  211   1HG2  ILE  34          HG23      ILE  34  14.131  20.556  20.556
  212   2HG2  ILE  34          HG22      ILE  34  12.506  21.236  21.236
  213   3HG2  ILE  34          HG21      ILE  34  13.630  21.532  21.532
  214   1HD1  ILE  34          HD11      ILE  34  14.418  20.855  20.855
  215   2HD1  ILE  34          HD13      ILE  34  14.673  21.973  21.973
  216   3HD1  ILE  34          HD12      ILE  34  13.129  21.139  21.139
  217    H    VAL  35           HN       VAL  35  16.001  20.522  20.522
  218    HA   VAL  35           HA       VAL  35  17.241  22.109  22.109
  219    HB   VAL  35           HB       VAL  35  17.790  19.277  19.277
  220   1HG1  VAL  35          HG13      VAL  35  18.683  20.801  20.801
  221   2HG1  VAL  35          HG12      VAL  35  19.564  19.405  19.405
  222   3HG1  VAL  35          HG11      VAL  35  17.899  19.222  19.222
  223   1HG2  VAL  35          HG23      VAL  35  19.005  21.901  21.901
  224   2HG2  VAL  35          HG22      VAL  35  19.289  20.380  20.380
  225   3HG2  VAL  35          HG21      VAL  35  20.155  20.730  20.730
  226    H    ASN  36           HN       ASN  36  15.476  19.054  19.054
  227    HA   ASN  36           HA       ASN  36  13.638  19.701  19.701
  228   1HB   ASN  36           HB2      ASN  36  16.000  18.288  18.288
  229   2HB   ASN  36           HB1      ASN  36  14.711  17.085  17.085
  230   1HD2  ASN  36          HD22      ASN  36  14.842  19.874  19.874
  231   2HD2  ASN  36          HD21      ASN  36  15.987  19.869  19.869
  232    H    ASN  37           HN       ASN  37  12.867  16.946  16.946
  233    HA   ASN  37           HA       ASN  37  11.740  15.150  15.150
  234   1HB   ASN  37           HB2      ASN  37  13.452  15.711  15.711
  235   2HB   ASN  37           HB1      ASN  37  11.997  16.334  16.334
  236   1HD2  ASN  37          HD22      ASN  37  12.378  12.306  12.306
  237   2HD2  ASN  37          HD21      ASN  37  13.447  13.389  13.389
  238    H    THR  38           HN       THR  38  10.980  17.764  17.764
  239    HA   THR  38           HA       THR  38   8.809  18.444  18.444
  240    HB   THR  38           HB       THR  38   9.720  19.958  19.958
  241    HG1  THR  38           HG1      THR  38   7.932  20.394  20.394
  242   1HG2  THR  38          HG23      THR  38   8.381  17.986  17.986
  243   2HG2  THR  38          HG22      THR  38   7.495  19.498  19.498
  244   3HG2  THR  38          HG21      THR  38   9.214  19.434  19.434
  245    H    GLU  39           HN       GLU  39   8.823  15.613  15.613
  246    HA   GLU  39           HA       GLU  39   5.938  15.336  15.336
  247   1HB   GLU  39           HB2      GLU  39   7.694  15.208  15.208
  248   2HB   GLU  39           HB1      GLU  39   7.109  13.578  13.578
  249   1HG   GLU  39           HG2      GLU  39   4.790  14.892  14.892
  250   2HG   GLU  39           HG1      GLU  39   5.591  16.015  16.015
  251    H    GLY  40           HN       GLY  40   9.095  13.732  13.732
  252   1HA   GLY  40           HA2      GLY  40   7.966  11.201  11.201
  253   2HA   GLY  40           HA1      GLY  40   9.677  11.631  11.631
  254    H    ASP  41           HN       ASP  41   9.821  10.706  10.706
  255    HA   ASP  41           HA       ASP  41   8.493  12.357  12.357
  256   1HB   ASP  41           HB2      ASP  41   8.644   9.582   9.582
  257   2HB   ASP  41           HB1      ASP  41   9.838   9.951   9.951
  258    H    TRP  42           HN       TRP  42  11.484  11.672  11.672
  259    HA   TRP  42           HA       TRP  42  12.910  12.995  12.995
  260   1HB   TRP  42           HB2      TRP  42  13.637  10.629  10.629
  261   2HB   TRP  42           HB1      TRP  42  14.938  11.727  11.727
  262    HD1  TRP  42           HD1      TRP  42  12.693   9.009   9.009
  263    HE1  TRP  42           HE1      TRP  42  13.254   8.791   8.791
  264    HE3  TRP  42           HE3      TRP  42  15.541  13.027  13.027
  265    HZ2  TRP  42           HZ2      TRP  42  14.799  10.261  10.261
  266    HZ3  TRP  42           HZ3      TRP  42  16.565  13.664  13.664
  267    HH2  TRP  42           HH2      TRP  42  16.194  12.281  12.281
  268    H    TRP  43           HN       TRP  43  13.844  14.906  14.906
  269    HA   TRP  43           HA       TRP  43  14.169  15.490  15.490
  270   1HB   TRP  43           HB2      TRP  43  13.759  17.440  17.440
  271   2HB   TRP  43           HB1      TRP  43  13.866  17.850  17.850
  272    HD1  TRP  43           HD1      TRP  43  12.049  14.915  14.915
  273    HE1  TRP  43           HE1      TRP  43   9.568  15.381  15.381
  274    HE3  TRP  43           HE3      TRP  43  12.148  19.223  19.223
  275    HZ2  TRP  43           HZ2      TRP  43   7.740  17.420  17.420
  276    HZ3  TRP  43           HZ3      TRP  43  10.104  20.429  20.429
  277    HH2  TRP  43           HH2      TRP  43   7.899  19.533  19.533
  278    H    LEU  44           HN       LEU  44  15.958  17.029  17.029
  279    HA   LEU  44           HA       LEU  44  18.279  16.576  16.576
  280   1HB   LEU  44           HB2      LEU  44  18.535  15.418  15.418
  281   2HB   LEU  44           HB1      LEU  44  18.249  16.936  16.936
  282    HG   LEU  44           HG       LEU  44  20.452  16.708  16.708
  283   1HD1  LEU  44          HD12      LEU  44  20.484  14.948  14.948
  284   2HD1  LEU  44          HD11      LEU  44  20.993  16.343  16.343
  285   3HD1  LEU  44          HD13      LEU  44  21.953  15.823  15.823
  286   1HD2  LEU  44          HD21      LEU  44  19.616  18.571  18.571
  287   2HD2  LEU  44          HD23      LEU  44  20.258  18.937  18.937
  288   3HD2  LEU  44          HD22      LEU  44  21.342  18.402  18.402
  289    H    ALA  45           HN       ALA  45  18.827  18.470  18.470
  290    HA   ALA  45           HA       ALA  45  18.352  20.992  20.992
  291   1HB   ALA  45           HB2      ALA  45  17.063  20.432  20.432
  292   2HB   ALA  45           HB1      ALA  45  18.561  20.997  20.997
  293   3HB   ALA  45           HB3      ALA  45  17.641  22.066  22.066
  294    H    HIS  46           HN       HIS  46  19.959  22.625  22.625
  295    HA   HIS  46           HA       HIS  46  22.618  21.612  21.612
  296   1HB   HIS  46           HB2      HIS  46  22.848  22.023  22.023
  297   2HB   HIS  46           HB1      HIS  46  21.754  23.403  23.403
  298    HD1  HIS  46           HD1      HIS  46  25.238  22.540  22.540
  299    HD2  HIS  46           HD2      HIS  46  22.934  25.866  25.866
  300    HE1  HIS  46           HE1      HIS  46  26.776  24.426  24.426
  301    H    SER  47           HN       SER  47  23.686  22.790  22.790
  302    HA   SER  47           HA       SER  47  22.232  25.008  25.008
  303   1HB   SER  47           HB2      SER  47  24.889  23.718  23.718
  304   2HB   SER  47           HB1      SER  47  24.055  24.914  24.914
  305    HG   SER  47           HG       SER  47  22.218  23.313  23.313
  306    H    LEU  48           HN       LEU  48  23.170  27.126  27.126
  307    HA   LEU  48           HA       LEU  48  25.053  27.863  27.863
  308   1HB   LEU  48           HB2      LEU  48  23.207  29.628  29.628
  309   2HB   LEU  48           HB1      LEU  48  24.182  30.143  30.143
  310    HG   LEU  48           HG       LEU  48  22.166  27.906  27.906
  311   1HD1  LEU  48          HD13      LEU  48  21.676  30.748  30.748
  312   2HD1  LEU  48          HD12      LEU  48  21.096  30.202  30.202
  313   3HD1  LEU  48          HD11      LEU  48  20.517  29.422  29.422
  314   1HD2  LEU  48          HD22      LEU  48  24.091  29.172  29.172
  315   2HD2  LEU  48          HD21      LEU  48  23.009  27.829  27.829
  316   3HD2  LEU  48          HD23      LEU  48  22.472  29.489  29.489
  317    H    THR  49           HN       THR  49  25.641  26.777  26.777
  318    HA   THR  49           HA       THR  49  27.116  29.078  29.078
  319    HB   THR  49           HB       THR  49  26.634  26.259  26.259
  320    HG1  THR  49           HG1      THR  49  25.584  27.712  27.712
  321   1HG2  THR  49          HG21      THR  49  28.864  27.345  27.345
  322   2HG2  THR  49          HG23      THR  49  27.904  28.539  28.539
  323   3HG2  THR  49          HG22      THR  49  27.824  26.837  26.837
  324    H    THR  50           HN       THR  50  28.261  25.769  25.769
  325    HA   THR  50           HA       THR  50  30.888  26.610  26.610
  326    HB   THR  50           HB       THR  50  30.782  25.045  25.045
  327    HG1  THR  50           HG1      THR  50  32.503  24.749  24.749
  328   1HG2  THR  50          HG22      THR  50  29.010  23.550  23.550
  329   2HG2  THR  50          HG21      THR  50  29.958  22.640  22.640
  330   3HG2  THR  50          HG23      THR  50  28.799  23.852  23.852
  331    H    GLY  51           HN       GLY  51  28.047  25.271  25.271
  332   1HA   GLY  51           HA2      GLY  51  27.670  24.924  24.924
  333   2HA   GLY  51           HA1      GLY  51  29.411  25.018  25.018
  334    H    GLN  52           HN       GLN  52  26.746  22.899  22.899
  335    HA   GLN  52           HA       GLN  52  28.247  20.581  20.581
  336   1HB   GLN  52           HB2      GLN  52  28.174  21.224  21.224
  337   2HB   GLN  52           HB1      GLN  52  27.505  19.628  19.628
  338   1HG   GLN  52           HG2      GLN  52  30.141  20.560  20.560
  339   2HG   GLN  52           HG1      GLN  52  30.033  19.728  19.728
  340   1HE2  GLN  52          HE22      GLN  52  28.900  16.628  16.628
  341   2HE2  GLN  52          HE21      GLN  52  28.590  17.590  17.590
  342    H    THR  53           HN       THR  53  26.861  18.640  18.640
  343    HA   THR  53           HA       THR  53  24.065  19.353  19.353
  344    HB   THR  53           HB       THR  53  24.889  16.497  16.497
  345    HG1  THR  53           HG1      THR  53  26.691  17.043  17.043
  346   1HG2  THR  53          HG22      THR  53  22.699  17.241  17.241
  347   2HG2  THR  53          HG21      THR  53  23.516  18.232  18.232
  348   3HG2  THR  53          HG23      THR  53  23.656  16.474  16.474
  349    H    GLY  54           HN       GLY  54  22.258  18.327  18.327
  350   1HA   GLY  54           HA2      GLY  54  22.828  16.895  16.895
  351   2HA   GLY  54           HA1      GLY  54  22.113  18.494  18.494
  352    H    TYR  55           HN       TYR  55  21.544  15.224  15.224
  353    HA   TYR  55           HA       TYR  55  18.930  15.654  15.654
  354   1HB   TYR  55           HB2      TYR  55  19.719  13.107  13.107
  355   2HB   TYR  55           HB1      TYR  55  18.747  13.314  13.314
  356    HD1  TYR  55           HD2      TYR  55  20.737  15.456  15.456
  357    HD2  TYR  55           HD1      TYR  55  21.248  11.512  11.512
  358    HE1  TYR  55           HE2      TYR  55  22.732  15.183  15.183
  359    HE2  TYR  55           HE1      TYR  55  23.248  11.240  11.240
  360    HH   TYR  55           HH       TYR  55  24.799  12.361  12.361
  361    H    ILE  56           HN       ILE  56  17.302  16.548  16.548
  362    HA   ILE  56           HA       ILE  56  17.112  15.755  15.755
  363    HB   ILE  56           HB       ILE  56  15.880  17.859  17.859
  364   1HG1  ILE  56          HG12      ILE  56  16.567  18.772  18.772
  365   2HG1  ILE  56          HG11      ILE  56  15.157  17.731  17.731
  366   1HG2  ILE  56          HG21      ILE  56  18.594  17.573  17.573
  367   2HG2  ILE  56          HG23      ILE  56  18.151  18.941  18.941
  368   3HG2  ILE  56          HG22      ILE  56  17.832  18.995  18.995
  369   1HD1  ILE  56          HD13      ILE  56  14.687  19.442  19.442
  370   2HD1  ILE  56          HD12      ILE  56  15.610  20.514  20.514
  371   3HD1  ILE  56          HD11      ILE  56  14.130  19.755  19.755
  372    HA   PRO  57           HA       PRO  57  13.368  13.644  13.644
  373   1HB   PRO  57           HB2      PRO  57  12.130  14.469  14.469
  374   2HB   PRO  57           HB1      PRO  57  12.948  12.939  12.939
  375   1HG   PRO  57           HG2      PRO  57  13.882  15.151  15.151
  376   2HG   PRO  57           HG1      PRO  57  14.656  13.584  13.584
  377   1HD   PRO  57           HD1      PRO  57  15.471  16.132  16.132
  378   2HD   PRO  57           HD2      PRO  57  16.195  14.541  14.541
  379    H    SER  58           HN       SER  58  11.230  14.135  14.135
  380    HA   SER  58           HA       SER  58  10.736  16.964  16.964
  381   1HB   SER  58           HB2      SER  58   9.408  16.183  16.183
  382   2HB   SER  58           HB1      SER  58  10.104  14.608  14.608
  383    HG   SER  58           HG       SER  58   8.215  14.019  14.019
  384    H    ASN  59           HN       ASN  59  10.358  15.316  15.316
  385    HA   ASN  59           HA       ASN  59   7.725  16.585  16.585
  386   1HB   ASN  59           HB2      ASN  59   9.099  14.137  14.137
  387   2HB   ASN  59           HB1      ASN  59   7.751  14.922  14.922
  388   1HD2  ASN  59          HD22      ASN  59   7.067  12.743  12.743
  389   2HD2  ASN  59          HD21      ASN  59   8.654  13.074  13.074
  390    H    TYR  60           HN       TYR  60  11.067  16.766  16.766
  391    HA   TYR  60           HA       TYR  60  10.756  18.024  18.024
  392   1HB   TYR  60           HB2      TYR  60  13.139  17.144  17.144
  393   2HB   TYR  60           HB1      TYR  60  13.323  18.179  18.179
  394    HD1  TYR  60           HD1      TYR  60  11.120  15.238  15.238
  395    HD2  TYR  60           HD2      TYR  60  14.050  16.910  16.910
  396    HE1  TYR  60           HE1      TYR  60  10.954  13.273  13.273
  397    HE2  TYR  60           HE2      TYR  60  13.886  14.946  14.946
  398    HH   TYR  60           HH       TYR  60  11.425  12.844  12.844
  399    H    VAL  61           HN       VAL  61  10.261  19.040  19.040
  400    HA   VAL  61           HA       VAL  61  11.176  21.791  21.791
  401    HB   VAL  61           HB       VAL  61  12.919  21.139  21.139
  402   1HG1  VAL  61          HG13      VAL  61  11.023  19.222  19.222
  403   2HG1  VAL  61          HG12      VAL  61  11.531  20.135  20.135
  404   3HG1  VAL  61          HG11      VAL  61  12.733  19.317  19.317
  405   1HG2  VAL  61          HG22      VAL  61  11.841  23.242  23.242
  406   2HG2  VAL  61          HG21      VAL  61  12.525  22.363  22.363
  407   3HG2  VAL  61          HG23      VAL  61  10.786  22.322  22.322
  408    H    ALA  62           HN       ALA  62  10.101  23.390  23.390
  409    HA   ALA  62           HA       ALA  62   7.667  22.485  22.485
  410   1HB   ALA  62           HB2      ALA  62   7.582  23.943  23.943
  411   2HB   ALA  62           HB1      ALA  62   6.267  24.094  24.094
  412   3HB   ALA  62           HB3      ALA  62   6.675  22.514  22.514
  413    HA   PRO  63           HA       PRO  63   8.617  26.042  26.042
  414   1HB   PRO  63           HB2      PRO  63   5.881  26.499  26.499
  415   2HB   PRO  63           HB1      PRO  63   7.136  25.695  25.695
  416   1HG   PRO  63           HG2      PRO  63   4.866  24.487  24.487
  417   2HG   PRO  63           HG1      PRO  63   6.105  23.688  23.688
  418   1HD   PRO  63           HD1      PRO  63   5.772  23.592  23.592
  419   2HD   PRO  63           HD2      PRO  63   7.017  22.791  22.791
  420    H    SER  64           HN       SER  64   8.369  28.359  28.359
  421    HA   SER  64           HA       SER  64   6.357  29.741  29.741
  422   1HB   SER  64           HB2      SER  64   7.028  29.825  29.825
  423   2HB   SER  64           HB1      SER  64   7.781  28.280  28.280
  424    HG   SER  64           HG       SER  64   9.661  29.171  29.171
  425   1H    ALA  71           HT2      ALA  71   5.996  11.037  11.037
  426   2H    ALA  71           HT1      ALA  71   6.078   9.404   9.404
  427   3H    ALA  71           HT3      ALA  71   5.546   9.822   9.822
  428    HA   ALA  71           HA       ALA  71   7.616  10.186  10.186
  429   1HB   ALA  71           HB2      ALA  71   7.962   8.332   8.332
  430   2HB   ALA  71           HB1      ALA  71   9.242   8.621   8.621
  431   3HB   ALA  71           HB3      ALA  71   7.721   7.891   7.891
  432    H    PHE  72           HN       PHE  72   8.097  12.405  12.405
  433    HA   PHE  72           HA       PHE  72   9.147  14.246  14.246
  434   1HB   PHE  72           HB2      PHE  72  11.109  12.117  12.117
  435   2HB   PHE  72           HB1      PHE  72  11.443  13.825  13.825
  436    HD1  PHE  72           HD1      PHE  72   9.394  13.652  13.652
  437    HD2  PHE  72           HD2      PHE  72  12.971  11.636  11.636
  438    HE1  PHE  72           HE1      PHE  72   9.872  13.165  13.165
  439    HE2  PHE  72           HE2      PHE  72  13.444  11.152  11.152
  440    HZ   PHE  72           HZ       PHE  72  11.897  11.917  11.917
  441    H    ALA  73           HN       ALA  73  10.508  14.639  14.639
  442    HA   ALA  73           HA       ALA  73   8.652  14.923  14.923
  443   1HB   ALA  73           HB3      ALA  73  11.584  14.210  14.210
  444   2HB   ALA  73           HB2      ALA  73  10.566  14.778  14.778
  445   3HB   ALA  73           HB1      ALA  73  10.888  15.830  15.830
  446    HA   PRO  74           HA       PRO  74   7.369  11.025  11.025
  447   1HB   PRO  74           HB2      PRO  74   7.594  11.733  11.733
  448   2HB   PRO  74           HB1      PRO  74   6.134  11.679  11.679
  449   1HG   PRO  74           HG2      PRO  74   7.535  14.016  14.016
  450   2HG   PRO  74           HG1      PRO  74   6.065  13.962  13.962
  451   1HD   PRO  74           HD1      PRO  74   8.712  14.730  14.730
  452   2HD   PRO  74           HD2      PRO  74   7.244  14.643  14.643
  453    HA   PRO  75           HA       PRO  75  11.128   8.873   8.873
  454   1HB   PRO  75           HB2      PRO  75   9.731   6.643   6.643
  455   2HB   PRO  75           HB1      PRO  75  10.405   6.773   6.773
  456   1HG   PRO  75           HG2      PRO  75   7.620   6.818   6.818
  457   2HG   PRO  75           HG1      PRO  75   8.294   6.933   6.933
  458   1HD   PRO  75           HD1      PRO  75   7.085   9.032   9.032
  459   2HD   PRO  75           HD2      PRO  75   7.760   9.148   9.148
  460    H    LEU  76           HN       LEU  76  12.446   8.455   8.455
  461    HA   LEU  76           HA       LEU  76  11.652   9.736   9.736
  462   1HB   LEU  76           HB2      LEU  76  13.940   7.787   7.787
  463   2HB   LEU  76           HB1      LEU  76  13.803   9.041   9.041
  464    HG   LEU  76           HG       LEU  76  13.929   9.555   9.555
  465   1HD1  LEU  76          HD12      LEU  76  15.992   9.044   9.044
  466   2HD1  LEU  76          HD11      LEU  76  16.130  10.692  10.692
  467   3HD1  LEU  76          HD13      LEU  76  16.159   9.330   9.330
  468   1HD2  LEU  76          HD23      LEU  76  13.339  11.202  11.202
  469   2HD2  LEU  76          HD22      LEU  76  12.979  11.507  11.507
  470   3HD2  LEU  76          HD21      LEU  76  14.578  11.880  11.880
  471    HA   PRO  77           HA       PRO  77   9.563   6.264   6.264
  472   1HB   PRO  77           HB2      PRO  77   9.471   7.411   7.411
  473   2HB   PRO  77           HB1      PRO  77   8.261   7.613   7.613
  474   1HG   PRO  77           HG2      PRO  77  10.179   9.572   9.572
  475   2HG   PRO  77           HG1      PRO  77   8.836   9.824   9.824
  476   1HD   PRO  77           HD1      PRO  77  11.659   9.687   9.687
  477   2HD   PRO  77           HD2      PRO  77  10.311   9.961   9.961
  478    H    ARG  78           HN       ARG  78  12.202   5.573   5.573
  479    HA   ARG  78           HA       ARG  78  14.036   4.539   4.539
  480   1HB   ARG  78           HB2      ARG  78  11.670   3.591   3.591
  481   2HB   ARG  78           HB1      ARG  78  13.285   2.891   2.891
  482   1HG   ARG  78           HG2      ARG  78  12.614   3.052   3.052
  483   2HG   ARG  78           HG1      ARG  78  11.236   2.336   2.336
  484   1HD   ARG  78           HD2      ARG  78  13.888   1.336   1.336
  485   2HD   ARG  78           HD1      ARG  78  13.428   0.920   0.920
  486    HE   ARG  78           HE       ARG  78  12.256  -0.182  -0.182
  487   1HH1  ARG  78          HH21      ARG  78  11.638   0.848   0.848
  488   2HH1  ARG  78          HH22      ARG  78  10.292  -0.221  -0.221
  489   1HH2  ARG  78          HH11      ARG  78  10.507  -1.575  -1.575
  490   2HH2  ARG  78          HH12      ARG  78   9.653  -1.593  -1.593
  491    H    ARG  79           HN       ARG  79  14.650   3.953   3.953
  492    HA   ARG  79           HA       ARG  79  14.678   6.653   6.653
  493   1HB   ARG  79           HB2      ARG  79  16.702   4.461   4.461
  494   2HB   ARG  79           HB1      ARG  79  16.709   5.452   5.452
  495   1HG   ARG  79           HG2      ARG  79  16.426   7.316   7.316
  496   2HG   ARG  79           HG1      ARG  79  17.547   6.137   6.137
  497   1HD   ARG  79           HD2      ARG  79  18.327   6.549   6.549
  498   2HD   ARG  79           HD1      ARG  79  18.051   8.144   8.144
  499    HE   ARG  79           HE       ARG  79  20.203   6.321   6.321
  500   1HH1  ARG  79          HH21      ARG  79  18.074   8.818   8.818
  501   2HH1  ARG  79          HH22      ARG  79  19.147   9.373   9.373
  502   1HH2  ARG  79          HH11      ARG  79  21.608   7.035   7.035
  503   2HH2  ARG  79          HH12      ARG  79  21.145   8.364   8.364

  Start of MODEL    8
    1   1H    THR   9           HT1      THR   9  11.162  29.249  29.249
    2   2H    THR   9           HT3      THR   9  12.328  30.471  30.471
    3   3H    THR   9           HT2      THR   9  12.133  29.698  29.698
    4    HA   THR   9           HA       THR   9  13.373  27.941  27.941
    5    HB   THR   9           HB       THR   9  14.108  29.945  29.945
    6    HG1  THR   9           HG1      THR   9  15.929  30.056  30.056
    7   1HG2  THR   9          HG21      THR   9  15.545  27.457  27.457
    8   2HG2  THR   9          HG23      THR   9  16.273  28.696  28.696
    9   3HG2  THR   9          HG22      THR   9  14.912  27.746  27.746
   10    H    PHE  10           HN       PHE  10  13.690  26.126  26.126
   11    HA   PHE  10           HA       PHE  10  11.437  25.747  25.747
   12   1HB   PHE  10           HB2      PHE  10  13.540  23.957  23.957
   13   2HB   PHE  10           HB1      PHE  10  12.611  23.418  23.418
   14    HD1  PHE  10           HD2      PHE  10  11.248  25.703  25.703
   15    HD2  PHE  10           HD1      PHE  10  11.377  21.672  21.672
   16    HE1  PHE  10           HE2      PHE  10   9.362  25.144  25.144
   17    HE2  PHE  10           HE1      PHE  10   9.490  21.115  21.115
   18    HZ   PHE  10           HZ       PHE  10   8.481  22.850  22.850
   19    H    VAL  11           HN       VAL  11  11.917  24.759  24.759
   20    HA   VAL  11           HA       VAL  11  14.557  25.524  25.524
   21    HB   VAL  11           HB       VAL  11  11.960  26.448  26.448
   22   1HG1  VAL  11          HG11      VAL  11  14.894  26.794  26.794
   23   2HG1  VAL  11          HG13      VAL  11  13.702  27.954  27.954
   24   3HG1  VAL  11          HG12      VAL  11  13.603  26.263  26.263
   25   1HG2  VAL  11          HG22      VAL  11  13.983  27.981  27.981
   26   2HG2  VAL  11          HG21      VAL  11  12.313  27.637  27.637
   27   3HG2  VAL  11          HG23      VAL  11  12.658  28.714  28.714
   28    H    ALA  12           HN       ALA  12  15.207  24.088  24.088
   29    HA   ALA  12           HA       ALA  12  13.647  21.695  21.695
   30   1HB   ALA  12           HB1      ALA  12  16.226  22.763  22.763
   31   2HB   ALA  12           HB3      ALA  12  15.497  21.288  21.288
   32   3HB   ALA  12           HB2      ALA  12  15.982  21.374  21.374
   33    H    LEU  13           HN       LEU  13  11.668  22.580  22.580
   34    HA   LEU  13           HA       LEU  13  11.391  24.203  24.203
   35   1HB   LEU  13           HB2      LEU  13   9.758  21.711  21.711
   36   2HB   LEU  13           HB1      LEU  13   9.256  23.106  23.106
   37    HG   LEU  13           HG       LEU  13   9.901  23.115  23.115
   38   1HD1  LEU  13          HD11      LEU  13   7.425  22.879  22.879
   39   2HD1  LEU  13          HD13      LEU  13   7.347  23.997  23.997
   40   3HD1  LEU  13          HD12      LEU  13   7.762  22.304  22.304
   41   1HD2  LEU  13          HD21      LEU  13  10.557  25.212  25.212
   42   2HD2  LEU  13          HD23      LEU  13   9.179  25.466  25.466
   43   3HD2  LEU  13          HD22      LEU  13   8.931  25.339  25.339
   44    H    TYR  14           HN       TYR  14  11.493  20.625  20.625
   45    HA   TYR  14           HA       TYR  14  12.237  20.785  20.785
   46   1HB   TYR  14           HB2      TYR  14  11.705  18.239  18.239
   47   2HB   TYR  14           HB1      TYR  14  11.503  18.552  18.552
   48    HD1  TYR  14           HD1      TYR  14  10.215  21.420  21.420
   49    HD2  TYR  14           HD2      TYR  14   9.333  17.374  17.374
   50    HE1  TYR  14           HE1      TYR  14   7.893  22.040  22.040
   51    HE2  TYR  14           HE2      TYR  14   6.993  17.979  17.979
   52    HH   TYR  14           HH       TYR  14   5.541  20.539  20.539
   53    H    ASP  15           HN       ASP  15  13.764  18.706  18.706
   54    HA   ASP  15           HA       ASP  15  16.312  19.369  19.369
   55   1HB   ASP  15           HB2      ASP  15  15.646  18.403  18.403
   56   2HB   ASP  15           HB1      ASP  15  16.047  16.889  16.889
   57    H    TYR  16           HN       TYR  16  17.724  17.281  17.281
   58    HA   TYR  16           HA       TYR  16  16.207  15.248  15.248
   59   1HB   TYR  16           HB2      TYR  16  16.168  16.909  16.909
   60   2HB   TYR  16           HB1      TYR  16  17.835  17.385  17.385
   61    HD1  TYR  16           HD2      TYR  16  16.013  14.179  14.179
   62    HD2  TYR  16           HD1      TYR  16  19.363  16.646  16.646
   63    HE1  TYR  16           HE2      TYR  16  16.804  12.522  12.522
   64    HE2  TYR  16           HE1      TYR  16  20.157  14.987  14.987
   65    HH   TYR  16           HH       TYR  16  18.244  12.140  12.140
   66    H    GLU  17           HN       GLU  17  17.343  13.756  13.756
   67    HA   GLU  17           HA       GLU  17  20.309  13.785  13.785
   68   1HB   GLU  17           HB2      GLU  17  19.380  13.436  13.436
   69   2HB   GLU  17           HB1      GLU  17  18.352  12.130  12.130
   70   1HG   GLU  17           HG2      GLU  17  20.178  10.672  10.672
   71   2HG   GLU  17           HG1      GLU  17  21.348  11.992  11.992
   72    H    SER  18           HN       SER  18  20.049  13.231  13.231
   73    HA   SER  18           HA       SER  18  18.934  10.968  10.968
   74   1HB   SER  18           HB2      SER  18  20.593  12.768  12.768
   75   2HB   SER  18           HB1      SER  18  21.808  11.537  11.537
   76    HG   SER  18           HG       SER  18  20.893  10.196  10.196
   77    H    ARG  19           HN       ARG  19  19.597   8.759   8.759
   78    HA   ARG  19           HA       ARG  19  21.143   7.753   7.753
   79   1HB   ARG  19           HB2      ARG  19  19.495   6.347   6.347
   80   2HB   ARG  19           HB1      ARG  19  20.344   5.514   5.514
   81   1HG   ARG  19           HG2      ARG  19  19.031   6.656   6.656
   82   2HG   ARG  19           HG1      ARG  19  18.306   7.709   7.709
   83   1HD   ARG  19           HD2      ARG  19  16.728   6.173   6.173
   84   2HD   ARG  19           HD1      ARG  19  17.947   4.920   4.920
   85    HE   ARG  19           HE       ARG  19  17.508   4.169   4.169
   86   1HH1  ARG  19          HH21      ARG  19  16.281   7.352   7.352
   87   2HH1  ARG  19          HH22      ARG  19  15.443   7.429   7.429
   88   1HH2  ARG  19          HH11      ARG  19  16.419   4.263   4.263
   89   2HH2  ARG  19          HH12      ARG  19  15.521   5.684   5.684
   90    H    THR  20           HN       THR  20  21.594   8.428   8.428
   91    HA   THR  20           HA       THR  20  23.895   6.551   6.551
   92    HB   THR  20           HB       THR  20  23.871   7.660   7.660
   93    HG1  THR  20           HG1      THR  20  22.069   9.034   9.034
   94   1HG2  THR  20          HG21      THR  20  22.921   5.296   5.296
   95   2HG2  THR  20          HG23      THR  20  21.582   5.877   5.877
   96   3HG2  THR  20          HG22      THR  20  23.164   5.599   5.599
   97    H    GLU  21           HN       GLU  21  25.960   7.449   7.449
   98    HA   GLU  21           HA       GLU  21  26.530  10.053  10.053
   99   1HB   GLU  21           HB2      GLU  21  27.970   7.712   7.712
  100   2HB   GLU  21           HB1      GLU  21  28.719   8.711   8.711
  101   1HG   GLU  21           HG2      GLU  21  29.529  10.233  10.233
  102   2HG   GLU  21           HG1      GLU  21  28.157  10.032  10.032
  103    H    THR  22           HN       THR  22  25.034   9.625   9.625
  104    HA   THR  22           HA       THR  22  26.857  11.168  11.168
  105    HB   THR  22           HB       THR  22  24.244   9.742   9.742
  106    HG1  THR  22           HG1      THR  22  26.002   8.636   8.636
  107   1HG2  THR  22          HG23      THR  22  24.902  11.864  11.864
  108   2HG2  THR  22          HG22      THR  22  26.168  10.842  10.842
  109   3HG2  THR  22          HG21      THR  22  24.473  10.402  10.402
  110    H    ASP  23           HN       ASP  23  23.406  11.157  11.157
  111    HA   ASP  23           HA       ASP  23  22.877  13.804  13.804
  112   1HB   ASP  23           HB2      ASP  23  21.453  12.646  12.646
  113   2HB   ASP  23           HB1      ASP  23  20.797  13.603  13.603
  114    H    LEU  24           HN       LEU  24  22.908  15.797  15.797
  115    HA   LEU  24           HA       LEU  24  24.764  15.888  15.888
  116   1HB   LEU  24           HB2      LEU  24  23.451  18.217  18.217
  117   2HB   LEU  24           HB1      LEU  24  24.899  18.248  18.248
  118    HG   LEU  24           HG       LEU  24  24.641  16.708  16.708
  119   1HD1  LEU  24          HD13      LEU  24  26.006  19.344  19.344
  120   2HD1  LEU  24          HD12      LEU  24  26.186  18.462  18.462
  121   3HD1  LEU  24          HD11      LEU  24  24.613  19.118  19.118
  122   1HD2  LEU  24          HD23      LEU  24  26.865  17.162  17.162
  123   2HD2  LEU  24          HD22      LEU  24  26.277  15.636  15.636
  124   3HD2  LEU  24          HD21      LEU  24  27.210  16.738  16.738
  125    H    SER  25           HN       SER  25  23.497  15.135  15.135
  126    HA   SER  25           HA       SER  25  20.862  15.669  15.669
  127   1HB   SER  25           HB2      SER  25  22.650  16.046  16.046
  128   2HB   SER  25           HB1      SER  25  21.406  14.826  14.826
  129    HG   SER  25           HG       SER  25  24.026  14.560  14.560
  130    H    PHE  26           HN       PHE  26  19.703  17.460  17.460
  131    HA   PHE  26           HA       PHE  26  21.257  19.928  19.928
  132   1HB   PHE  26           HB2      PHE  26  19.526  21.228  21.228
  133   2HB   PHE  26           HB1      PHE  26  20.515  20.189  20.189
  134    HD1  PHE  26           HD1      PHE  26  17.271  20.367  20.367
  135    HD2  PHE  26           HD2      PHE  26  19.471  18.503  18.503
  136    HE1  PHE  26           HE1      PHE  26  15.215  19.270  19.270
  137    HE2  PHE  26           HE2      PHE  26  17.414  17.426  17.426
  138    HZ   PHE  26           HZ       PHE  26  15.287  17.794  17.794
  139    H    LYS  27           HN       LYS  27  20.280  21.283  21.283
  140    HA   LYS  27           HA       LYS  27  18.055  20.002  20.002
  141   1HB   LYS  27           HB2      LYS  27  19.896  22.263  22.263
  142   2HB   LYS  27           HB1      LYS  27  18.746  21.418  21.418
  143   1HG   LYS  27           HG2      LYS  27  20.344  19.899  19.899
  144   2HG   LYS  27           HG1      LYS  27  20.333  19.421  19.421
  145   1HD   LYS  27           HD2      LYS  27  22.563  20.054  20.054
  146   2HD   LYS  27           HD1      LYS  27  21.849  21.540  21.540
  147   1HE   LYS  27           HE2      LYS  27  21.440  21.565  21.565
  148   2HE   LYS  27           HE1      LYS  27  23.119  21.091  21.091
  149   1HZ   LYS  27           HZ1      LYS  27  23.010  23.036  23.036
  150   2HZ   LYS  27           HZ3      LYS  27  21.755  23.580  23.580
  151   3HZ   LYS  27           HZ2      LYS  27  23.312  23.343  23.343
  152    H    LYS  28           HN       LYS  28  16.636  21.799  21.799
  153    HA   LYS  28           HA       LYS  28  15.200  23.172  23.172
  154   1HB   LYS  28           HB2      LYS  28  14.000  22.527  22.527
  155   2HB   LYS  28           HB1      LYS  28  15.131  23.384  23.384
  156   1HG   LYS  28           HG2      LYS  28  14.355  25.511  25.511
  157   2HG   LYS  28           HG1      LYS  28  13.519  24.817  24.817
  158   1HD   LYS  28           HD2      LYS  28  11.750  25.161  25.161
  159   2HD   LYS  28           HD1      LYS  28  12.179  23.485  23.485
  160   1HE   LYS  28           HE2      LYS  28  13.519  24.168  24.168
  161   2HE   LYS  28           HE1      LYS  28  13.256  25.870  25.870
  162   1HZ   LYS  28           HZ3      LYS  28  11.133  23.918  23.918
  163   2HZ   LYS  28           HZ2      LYS  28  11.770  25.096  25.096
  164   3HZ   LYS  28           HZ1      LYS  28  10.898  25.566  25.566
  165    H    GLY  29           HN       GLY  29  15.500  25.200  25.200
  166   1HA   GLY  29           HA2      GLY  29  16.042  27.593  27.593
  167   2HA   GLY  29           HA1      GLY  29  17.378  27.017  27.017
  168    H    GLU  30           HN       GLU  30  17.660  24.852  24.852
  169    HA   GLU  30           HA       GLU  30  19.595  26.448  26.448
  170   1HB   GLU  30           HB2      GLU  30  20.324  24.269  24.269
  171   2HB   GLU  30           HB1      GLU  30  18.987  23.476  23.476
  172   1HG   GLU  30           HG2      GLU  30  20.500  23.194  23.194
  173   2HG   GLU  30           HG1      GLU  30  20.132  24.877  24.877
  174    H    ARG  31           HN       ARG  31  18.864  27.441  27.441
  175    HA   ARG  31           HA       ARG  31  16.479  26.362  26.362
  176   1HB   ARG  31           HB2      ARG  31  18.031  28.837  28.837
  177   2HB   ARG  31           HB1      ARG  31  16.336  28.465  28.465
  178   1HG   ARG  31           HG2      ARG  31  15.783  29.534  29.534
  179   2HG   ARG  31           HG1      ARG  31  16.679  28.316  28.316
  180   1HD   ARG  31           HD2      ARG  31  17.904  30.142  30.142
  181   2HD   ARG  31           HD1      ARG  31  18.742  29.834  29.834
  182    HE   ARG  31           HE       ARG  31  16.548  31.517  31.517
  183   1HH1  ARG  31          HH21      ARG  31  19.469  31.504  31.504
  184   2HH1  ARG  31          HH22      ARG  31  19.718  33.212  33.212
  185   1HH2  ARG  31          HH11      ARG  31  16.863  33.744  33.744
  186   2HH2  ARG  31          HH12      ARG  31  18.246  34.478  34.478
  187    H    LEU  32           HN       LEU  32  16.534  25.699  25.699
  188    HA   LEU  32           HA       LEU  32  19.186  25.605  25.605
  189   1HB   LEU  32           HB2      LEU  32  17.490  23.116  23.116
  190   2HB   LEU  32           HB1      LEU  32  19.195  23.267  23.267
  191    HG   LEU  32           HG       LEU  32  19.327  24.239  24.239
  192   1HD1  LEU  32          HD13      LEU  32  16.738  23.795  23.795
  193   2HD1  LEU  32          HD12      LEU  32  17.222  22.124  22.124
  194   3HD1  LEU  32          HD11      LEU  32  17.727  23.390  23.390
  195   1HD2  LEU  32          HD22      LEU  32  19.793  21.708  21.708
  196   2HD2  LEU  32          HD21      LEU  32  20.658  22.425  22.425
  197   3HD2  LEU  32          HD23      LEU  32  19.237  21.423  21.423
  198    H    GLN  33           HN       GLN  33  18.982  25.090  25.090
  199    HA   GLN  33           HA       GLN  33  16.356  26.012  26.012
  200   1HB   GLN  33           HB2      GLN  33  18.782  25.611  25.611
  201   2HB   GLN  33           HB1      GLN  33  17.491  26.804  26.804
  202   1HG   GLN  33           HG2      GLN  33  18.324  27.952  27.952
  203   2HG   GLN  33           HG1      GLN  33  19.628  26.770  26.770
  204   1HE2  GLN  33          HE22      GLN  33  19.739  29.370  29.370
  205   2HE2  GLN  33          HE21      GLN  33  18.232  28.857  28.857
  206    H    ILE  34           HN       ILE  34  15.001  24.515  24.515
  207    HA   ILE  34           HA       ILE  34  15.703  21.739  21.739
  208    HB   ILE  34           HB       ILE  34  13.398  23.283  23.283
  209   1HG1  ILE  34          HG12      ILE  34  13.366  23.345  23.345
  210   2HG1  ILE  34          HG11      ILE  34  12.160  22.171  22.171
  211   1HG2  ILE  34          HG22      ILE  34  14.298  20.695  20.695
  212   2HG2  ILE  34          HG21      ILE  34  12.952  20.452  20.452
  213   3HG2  ILE  34          HG23      ILE  34  12.715  21.380  21.380
  214   1HD1  ILE  34          HD13      ILE  34  13.987  20.396  20.396
  215   2HD1  ILE  34          HD12      ILE  34  14.921  21.632  21.632
  216   3HD1  ILE  34          HD11      ILE  34  13.368  21.102  21.102
  217    H    VAL  35           HN       VAL  35  16.520  20.564  20.564
  218    HA   VAL  35           HA       VAL  35  17.216  22.077  22.077
  219    HB   VAL  35           HB       VAL  35  18.312  19.493  19.493
  220   1HG1  VAL  35          HG12      VAL  35  18.328  20.530  20.530
  221   2HG1  VAL  35          HG11      VAL  35  19.969  20.545  20.545
  222   3HG1  VAL  35          HG13      VAL  35  19.048  19.040  19.040
  223   1HG2  VAL  35          HG21      VAL  35  18.936  21.714  21.714
  224   2HG2  VAL  35          HG23      VAL  35  20.289  20.766  20.766
  225   3HG2  VAL  35          HG22      VAL  35  19.697  22.151  22.151
  226    H    ASN  36           HN       ASN  36  16.538  18.646  18.646
  227    HA   ASN  36           HA       ASN  36  14.980  18.545  18.545
  228   1HB   ASN  36           HB2      ASN  36  16.674  16.835  16.835
  229   2HB   ASN  36           HB1      ASN  36  16.133  16.379  16.379
  230   1HD2  ASN  36          HD22      ASN  36  13.730  14.129  14.129
  231   2HD2  ASN  36          HD21      ASN  36  14.670  14.662  14.662
  232    H    ASN  37           HN       ASN  37  12.873  17.473  17.473
  233    HA   ASN  37           HA       ASN  37  11.573  17.066  17.066
  234   1HB   ASN  37           HB2      ASN  37   9.655  18.607  18.607
  235   2HB   ASN  37           HB1      ASN  37  11.102  19.377  19.377
  236   1HD2  ASN  37          HD22      ASN  37  10.601  21.199  21.199
  237   2HD2  ASN  37          HD21      ASN  37  10.010  21.164  21.164
  238    H    THR  38           HN       THR  38  12.135  15.153  15.153
  239    HA   THR  38           HA       THR  38   9.384  14.458  14.458
  240    HB   THR  38           HB       THR  38  10.692  15.445  15.445
  241    HG1  THR  38           HG1      THR  38   9.822  14.001  14.001
  242   1HG2  THR  38          HG22      THR  38  12.804  14.096  14.096
  243   2HG2  THR  38          HG21      THR  38  12.287  12.957  12.957
  244   3HG2  THR  38          HG23      THR  38  12.714  14.610  14.610
  245    H    GLU  39           HN       GLU  39  11.721  13.629  13.629
  246    HA   GLU  39           HA       GLU  39  12.116  10.822  10.822
  247   1HB   GLU  39           HB2      GLU  39  13.318  12.680  12.680
  248   2HB   GLU  39           HB1      GLU  39  12.825  11.232  11.232
  249   1HG   GLU  39           HG2      GLU  39  14.979  10.678  10.678
  250   2HG   GLU  39           HG1      GLU  39  13.920   9.939   9.939
  251    H    GLY  40           HN       GLY  40  11.105  11.994  11.994
  252   1HA   GLY  40           HA2      GLY  40   8.443  10.979  10.979
  253   2HA   GLY  40           HA1      GLY  40   9.501   9.721   9.721
  254    H    ASP  41           HN       ASP  41  10.279   9.935   9.935
  255    HA   ASP  41           HA       ASP  41   9.284  12.314  12.314
  256   1HB   ASP  41           HB2      ASP  41   9.497   9.427   9.427
  257   2HB   ASP  41           HB1      ASP  41   9.971  10.508  10.508
  258    H    TRP  42           HN       TRP  42  11.752  12.350  12.350
  259    HA   TRP  42           HA       TRP  42  13.554  13.202  13.202
  260   1HB   TRP  42           HB2      TRP  42  14.190  10.820  10.820
  261   2HB   TRP  42           HB1      TRP  42  15.441  11.749  11.749
  262    HD1  TRP  42           HD1      TRP  42  12.670   9.189   9.189
  263    HE1  TRP  42           HE1      TRP  42  12.838   8.567   8.567
  264    HE3  TRP  42           HE3      TRP  42  15.982  12.582  12.582
  265    HZ2  TRP  42           HZ2      TRP  42  14.301   9.456   9.456
  266    HZ3  TRP  42           HZ3      TRP  42  16.790  12.737  12.737
  267    HH2  TRP  42           HH2      TRP  42  15.950  11.174  11.174
  268    H    TRP  43           HN       TRP  43  14.537  15.024  15.024
  269    HA   TRP  43           HA       TRP  43  14.985  15.258  15.258
  270   1HB   TRP  43           HB2      TRP  43  14.120  17.486  17.486
  271   2HB   TRP  43           HB1      TRP  43  14.396  17.630  17.630
  272    HD1  TRP  43           HD1      TRP  43  12.899  14.946  14.946
  273    HE1  TRP  43           HE1      TRP  43  10.377  14.935  14.935
  274    HE3  TRP  43           HE3      TRP  43  12.349  18.542  18.542
  275    HZ2  TRP  43           HZ2      TRP  43   8.272  16.359  16.359
  276    HZ3  TRP  43           HZ3      TRP  43  10.142  19.245  19.245
  277    HH2  TRP  43           HH2      TRP  43   8.106  18.156  18.156
  278    H    LEU  44           HN       LEU  44  16.683  16.949  16.949
  279    HA   LEU  44           HA       LEU  44  18.817  16.846  16.846
  280   1HB   LEU  44           HB2      LEU  44  19.392  15.710  15.710
  281   2HB   LEU  44           HB1      LEU  44  19.061  17.199  17.199
  282    HG   LEU  44           HG       LEU  44  21.032  17.198  17.198
  283   1HD1  LEU  44          HD13      LEU  44  21.436  15.395  15.395
  284   2HD1  LEU  44          HD12      LEU  44  21.961  16.809  16.809
  285   3HD1  LEU  44          HD11      LEU  44  22.768  16.388  16.388
  286   1HD2  LEU  44          HD22      LEU  44  20.037  19.070  19.070
  287   2HD2  LEU  44          HD21      LEU  44  21.235  19.339  19.339
  288   3HD2  LEU  44          HD23      LEU  44  21.748  18.797  18.797
  289    H    ALA  45           HN       ALA  45  19.165  18.774  18.774
  290    HA   ALA  45           HA       ALA  45  18.571  21.251  21.251
  291   1HB   ALA  45           HB2      ALA  45  17.051  20.730  20.730
  292   2HB   ALA  45           HB1      ALA  45  18.457  21.031  21.031
  293   3HB   ALA  45           HB3      ALA  45  17.814  22.320  22.320
  294    H    HIS  46           HN       HIS  46  19.914  23.132  23.132
  295    HA   HIS  46           HA       HIS  46  22.606  22.285  22.285
  296   1HB   HIS  46           HB2      HIS  46  23.123  22.798  22.798
  297   2HB   HIS  46           HB1      HIS  46  21.755  23.891  23.891
  298    HD1  HIS  46           HD1      HIS  46  25.284  23.965  23.965
  299    HD2  HIS  46           HD2      HIS  46  22.182  26.487  26.487
  300    HE1  HIS  46           HE1      HIS  46  26.303  26.142  26.142
  301    H    SER  47           HN       SER  47  22.958  23.189  23.189
  302    HA   SER  47           HA       SER  47  21.399  25.215  25.215
  303   1HB   SER  47           HB2      SER  47  24.286  25.083  25.083
  304   2HB   SER  47           HB1      SER  47  22.862  25.076  25.076
  305    HG   SER  47           HG       SER  47  23.839  23.039  23.039
  306    H    LEU  48           HN       LEU  48  21.695  27.476  27.476
  307    HA   LEU  48           HA       LEU  48  23.249  28.687  28.687
  308   1HB   LEU  48           HB2      LEU  48  21.041  29.615  29.615
  309   2HB   LEU  48           HB1      LEU  48  22.056  30.810  30.810
  310    HG   LEU  48           HG       LEU  48  20.513  28.583  28.583
  311   1HD1  LEU  48          HD12      LEU  48  19.340  30.727  30.727
  312   2HD1  LEU  48          HD11      LEU  48  20.078  31.528  31.528
  313   3HD1  LEU  48          HD13      LEU  48  18.953  30.192  30.192
  314   1HD2  LEU  48          HD23      LEU  48  22.575  30.547  30.547
  315   2HD2  LEU  48          HD22      LEU  48  22.284  28.894  28.894
  316   3HD2  LEU  48          HD21      LEU  48  21.236  30.201  30.201
  317    H    THR  49           HN       THR  49  24.469  27.575  27.575
  318    HA   THR  49           HA       THR  49  25.540  30.049  30.049
  319    HB   THR  49           HB       THR  49  25.861  27.115  27.115
  320    HG1  THR  49           HG1      THR  49  24.038  27.621  27.621
  321   1HG2  THR  49          HG21      THR  49  26.985  29.573  29.573
  322   2HG2  THR  49          HG23      THR  49  27.053  27.932  27.932
  323   3HG2  THR  49          HG22      THR  49  27.922  28.338  28.338
  324    H    THR  50           HN       THR  50  27.405  27.094  27.094
  325    HA   THR  50           HA       THR  50  29.552  28.679  28.679
  326    HB   THR  50           HB       THR  50  30.084  25.830  25.830
  327    HG1  THR  50           HG1      THR  50  29.520  25.548  25.548
  328   1HG2  THR  50          HG21      THR  50  31.585  28.008  28.008
  329   2HG2  THR  50          HG23      THR  50  31.326  27.987  27.987
  330   3HG2  THR  50          HG22      THR  50  32.086  26.609  26.609
  331    H    GLY  51           HN       GLY  51  28.562  25.324  25.324
  332   1HA   GLY  51           HA2      GLY  51  27.459  25.658  25.658
  333   2HA   GLY  51           HA1      GLY  51  29.204  25.574  25.574
  334    H    GLN  52           HN       GLN  52  26.974  23.866  23.866
  335    HA   GLN  52           HA       GLN  52  28.242  21.316  21.316
  336   1HB   GLN  52           HB2      GLN  52  27.536  22.362  22.362
  337   2HB   GLN  52           HB1      GLN  52  26.575  20.915  20.915
  338   1HG   GLN  52           HG2      GLN  52  28.379  19.646  19.646
  339   2HG   GLN  52           HG1      GLN  52  29.218  20.382  20.382
  340   1HE2  GLN  52          HE22      GLN  52  30.136  21.528  21.528
  341   2HE2  GLN  52          HE21      GLN  52  28.882  20.422  20.422
  342    H    THR  53           HN       THR  53  26.742  19.426  19.426
  343    HA   THR  53           HA       THR  53  23.960  20.248  20.248
  344    HB   THR  53           HB       THR  53  25.988  19.356  19.356
  345    HG1  THR  53           HG1      THR  53  23.197  19.756  19.756
  346   1HG2  THR  53          HG21      THR  53  25.288  17.040  17.040
  347   2HG2  THR  53          HG23      THR  53  23.649  17.430  17.430
  348   3HG2  THR  53          HG22      THR  53  24.970  17.408  17.408
  349    H    GLY  54           HN       GLY  54  22.420  18.934  18.934
  350   1HA   GLY  54           HA2      GLY  54  23.172  16.189  16.189
  351   2HA   GLY  54           HA1      GLY  54  22.579  17.288  17.288
  352    H    TYR  55           HN       TYR  55  21.463  14.773  14.773
  353    HA   TYR  55           HA       TYR  55  19.082  15.704  15.704
  354   1HB   TYR  55           HB2      TYR  55  19.344  12.998  12.998
  355   2HB   TYR  55           HB1      TYR  55  18.522  13.434  13.434
  356    HD1  TYR  55           HD2      TYR  55  20.887  15.282  15.282
  357    HD2  TYR  55           HD1      TYR  55  20.690  11.243  11.243
  358    HE1  TYR  55           HE2      TYR  55  22.914  14.764  14.764
  359    HE2  TYR  55           HE1      TYR  55  22.718  10.727  10.727
  360    HH   TYR  55           HH       TYR  55  23.861  11.781  11.781
  361    H    ILE  56           HN       ILE  56  17.771  16.996  16.996
  362    HA   ILE  56           HA       ILE  56  17.209  16.196  16.196
  363    HB   ILE  56           HB       ILE  56  16.184  18.305  18.305
  364   1HG1  ILE  56          HG12      ILE  56  14.679  18.091  18.091
  365   2HG1  ILE  56          HG11      ILE  56  15.353  19.704  19.704
  366   1HG2  ILE  56          HG22      ILE  56  18.483  18.400  18.400
  367   2HG2  ILE  56          HG21      ILE  56  17.748  19.891  19.891
  368   3HG2  ILE  56          HG23      ILE  56  18.480  18.761  18.761
  369   1HD1  ILE  56          HD12      ILE  56  17.261  18.781  18.781
  370   2HD1  ILE  56          HD11      ILE  56  16.019  17.628  17.628
  371   3HD1  ILE  56          HD13      ILE  56  15.747  19.357  19.357
  372    HA   PRO  57           HA       PRO  57  13.671  13.821  13.821
  373   1HB   PRO  57           HB2      PRO  57  12.523  14.130  14.130
  374   2HB   PRO  57           HB1      PRO  57  13.401  12.735  12.735
  375   1HG   PRO  57           HG2      PRO  57  14.304  14.657  14.657
  376   2HG   PRO  57           HG1      PRO  57  15.168  13.243  13.243
  377   1HD   PRO  57           HD1      PRO  57  15.691  16.021  16.021
  378   2HD   PRO  57           HD2      PRO  57  16.550  14.597  14.597
  379    H    SER  58           HN       SER  58  11.431  14.232  14.232
  380    HA   SER  58           HA       SER  58  10.721  17.085  17.085
  381   1HB   SER  58           HB2      SER  58   8.558  15.947  15.947
  382   2HB   SER  58           HB1      SER  58  10.041  16.138  16.138
  383    HG   SER  58           HG       SER  58   8.802  13.915  13.915
  384    H    ASN  59           HN       ASN  59  10.868  16.153  16.153
  385    HA   ASN  59           HA       ASN  59   7.995  16.283  16.283
  386   1HB   ASN  59           HB2      ASN  59   9.944  14.152  14.152
  387   2HB   ASN  59           HB1      ASN  59   9.114  14.774  14.774
  388   1HD2  ASN  59          HD21      ASN  59   8.305  13.769  13.769
  389   2HD2  ASN  59          HD22      ASN  59   6.839  13.024  13.024
  390    H    TYR  60           HN       TYR  60  11.388  16.601  16.601
  391    HA   TYR  60           HA       TYR  60  10.577  18.296  18.296
  392   1HB   TYR  60           HB2      TYR  60  13.350  17.694  17.694
  393   2HB   TYR  60           HB1      TYR  60  12.967  18.407  18.407
  394    HD1  TYR  60           HD2      TYR  60  10.750  16.823  16.823
  395    HD2  TYR  60           HD1      TYR  60  14.170  15.528  15.528
  396    HE1  TYR  60           HE2      TYR  60  10.520  14.588  14.588
  397    HE2  TYR  60           HE1      TYR  60  13.940  13.290  13.290
  398    HH   TYR  60           HH       TYR  60  12.901  12.315  12.315
  399    H    VAL  61           HN       VAL  61  10.783  18.843  18.843
  400    HA   VAL  61           HA       VAL  61  11.789  21.623  21.623
  401    HB   VAL  61           HB       VAL  61  12.767  19.844  19.844
  402   1HG1  VAL  61          HG13      VAL  61  10.369  19.946  19.946
  403   2HG1  VAL  61          HG12      VAL  61  10.979  21.443  21.443
  404   3HG1  VAL  61          HG11      VAL  61  11.804  19.918  19.918
  405   1HG2  VAL  61          HG22      VAL  61  12.504  22.823  22.823
  406   2HG2  VAL  61          HG21      VAL  61  13.934  21.831  21.831
  407   3HG2  VAL  61          HG23      VAL  61  13.291  22.003  22.003
  408    H    ALA  62           HN       ALA  62  10.708  22.769  22.769
  409    HA   ALA  62           HA       ALA  62   8.045  22.336  22.336
  410   1HB   ALA  62           HB1      ALA  62   8.287  23.016  23.016
  411   2HB   ALA  62           HB3      ALA  62   7.461  24.334  24.334
  412   3HB   ALA  62           HB2      ALA  62   6.819  22.693  22.693
  413    HA   PRO  63           HA       PRO  63   8.967  25.905  25.905
  414   1HB   PRO  63           HB2      PRO  63   6.210  26.609  26.609
  415   2HB   PRO  63           HB1      PRO  63   7.261  25.738  25.738
  416   1HG   PRO  63           HG2      PRO  63   5.081  24.677  24.677
  417   2HG   PRO  63           HG1      PRO  63   6.108  23.814  23.814
  418   1HD   PRO  63           HD1      PRO  63   6.143  23.635  23.635
  419   2HD   PRO  63           HD2      PRO  63   7.178  22.775  22.775
  420    H    SER  64           HN       SER  64   9.375  28.031  28.031
  421    HA   SER  64           HA       SER  64   7.515  29.475  29.475
  422   1HB   SER  64           HB2      SER  64   9.196  29.965  29.965
  423   2HB   SER  64           HB1      SER  64   9.026  28.217  28.217
  424    HG   SER  64           HG       SER  64  10.828  28.400  28.400
  425   1H    ALA  71           HT3      ALA  71   9.228   9.620   9.620
  426   2H    ALA  71           HT2      ALA  71   8.937   8.716   8.716
  427   3H    ALA  71           HT1      ALA  71   8.429  10.335  10.335
  428    HA   ALA  71           HA       ALA  71  10.388  10.249  10.249
  429   1HB   ALA  71           HB2      ALA  71  11.112   8.054   8.054
  430   2HB   ALA  71           HB1      ALA  71  11.866   9.110   9.110
  431   3HB   ALA  71           HB3      ALA  71  12.379   9.180   9.180
  432    H    PHE  72           HN       PHE  72   9.091  11.693  11.693
  433    HA   PHE  72           HA       PHE  72  10.370  14.142  14.142
  434   1HB   PHE  72           HB2      PHE  72  12.069  12.209  12.209
  435   2HB   PHE  72           HB1      PHE  72  11.615  13.467  13.467
  436    HD1  PHE  72           HD2      PHE  72  11.733  15.944  15.944
  437    HD2  PHE  72           HD1      PHE  72  13.887  12.630  12.630
  438    HE1  PHE  72           HE2      PHE  72  13.341  17.484  17.484
  439    HE2  PHE  72           HE1      PHE  72  15.495  14.172  14.172
  440    HZ   PHE  72           HZ       PHE  72  15.223  16.600  16.600
  441    H    ALA  73           HN       ALA  73  10.427  15.108  15.108
  442    HA   ALA  73           HA       ALA  73   7.730  15.454  15.454
  443   1HB   ALA  73           HB1      ALA  73  10.215  16.356  16.356
  444   2HB   ALA  73           HB3      ALA  73   9.522  15.545  15.545
  445   3HB   ALA  73           HB2      ALA  73   8.642  16.855  16.855
  446    HA   PRO  74           HA       PRO  74   6.319  12.145  12.145
  447   1HB   PRO  74           HB2      PRO  74   7.026  13.135  13.135
  448   2HB   PRO  74           HB1      PRO  74   5.425  12.881  12.881
  449   1HG   PRO  74           HG2      PRO  74   6.712  15.384  15.384
  450   2HG   PRO  74           HG1      PRO  74   5.218  15.112  15.112
  451   1HD   PRO  74           HD1      PRO  74   7.820  15.843  15.843
  452   2HD   PRO  74           HD2      PRO  74   6.314  15.649  15.649
  453    HA   PRO  75           HA       PRO  75   9.934   9.668   9.668
  454   1HB   PRO  75           HB2      PRO  75   8.519   7.702   7.702
  455   2HB   PRO  75           HB1      PRO  75   8.971   7.624   7.624
  456   1HG   PRO  75           HG2      PRO  75   6.339   8.024   8.024
  457   2HG   PRO  75           HG1      PRO  75   6.793   7.965   7.965
  458   1HD   PRO  75           HD1      PRO  75   6.013  10.274  10.274
  459   2HD   PRO  75           HD2      PRO  75   6.466  10.213  10.213
  460    H    LEU  76           HN       LEU  76  11.396   8.909   8.909
  461    HA   LEU  76           HA       LEU  76  11.109  10.418  10.418
  462   1HB   LEU  76           HB2      LEU  76  13.309   9.288   9.288
  463   2HB   LEU  76           HB1      LEU  76  13.481   9.002   9.002
  464    HG   LEU  76           HG       LEU  76  12.924  11.708  11.708
  465   1HD1  LEU  76          HD11      LEU  76  15.211  10.719  10.719
  466   2HD1  LEU  76          HD13      LEU  76  15.482  10.699  10.699
  467   3HD1  LEU  76          HD12      LEU  76  15.237  12.231  12.231
  468   1HD2  LEU  76          HD22      LEU  76  12.629  10.705  10.705
  469   2HD2  LEU  76          HD21      LEU  76  12.458  12.371  12.371
  470   3HD2  LEU  76          HD23      LEU  76  14.028  11.779  11.779
  471    HA   PRO  77           HA       PRO  77   9.391   6.720   6.720
  472   1HB   PRO  77           HB2      PRO  77   9.704   7.965   7.965
  473   2HB   PRO  77           HB1      PRO  77   8.214   7.711   7.711
  474   1HG   PRO  77           HG2      PRO  77   9.604  10.197  10.197
  475   2HG   PRO  77           HG1      PRO  77   8.130   9.937   9.937
  476   1HD   PRO  77           HD1      PRO  77  10.783  10.516  10.516
  477   2HD   PRO  77           HD2      PRO  77   9.301  10.269  10.269
  478    H    ARG  78           HN       ARG  78  11.189   5.316   5.316
  479    HA   ARG  78           HA       ARG  78  13.762   5.446   5.446
  480   1HB   ARG  78           HB2      ARG  78  12.615   3.539   3.539
  481   2HB   ARG  78           HB1      ARG  78  12.169   2.893   2.893
  482   1HG   ARG  78           HG2      ARG  78  14.209   1.941   1.941
  483   2HG   ARG  78           HG1      ARG  78  14.892   3.562   3.562
  484   1HD   ARG  78           HD2      ARG  78  14.168   2.904   2.904
  485   2HD   ARG  78           HD1      ARG  78  15.316   1.742   1.742
  486    HE   ARG  78           HE       ARG  78  15.927   4.459   4.459
  487   1HH1  ARG  78          HH21      ARG  78  16.490   2.003   2.003
  488   2HH1  ARG  78          HH22      ARG  78  18.053   2.605   2.605
  489   1HH2  ARG  78          HH11      ARG  78  17.963   5.252   5.252
  490   2HH2  ARG  78          HH12      ARG  78  18.885   4.442   4.442
  491    H    ARG  79           HN       ARG  79  14.668   5.562   5.562
  492    HA   ARG  79           HA       ARG  79  13.314   6.017   6.017
  493   1HB   ARG  79           HB2      ARG  79  15.897   4.440   4.440
  494   2HB   ARG  79           HB1      ARG  79  15.345   5.378   5.378
  495   1HG   ARG  79           HG2      ARG  79  16.439   7.143   7.143
  496   2HG   ARG  79           HG1      ARG  79  15.229   7.160   7.160
  497   1HD   ARG  79           HD2      ARG  79  16.680   5.350   5.350
  498   2HD   ARG  79           HD1      ARG  79  17.940   5.831   5.831
  499    HE   ARG  79           HE       ARG  79  17.079   7.347   7.347
  500   1HH1  ARG  79          HH21      ARG  79  18.299   7.506   7.506
  501   2HH1  ARG  79          HH22      ARG  79  19.057   9.047   9.047
  502   1HH2  ARG  79          HH11      ARG  79  18.066   9.352   9.352
  503   2HH2  ARG  79          HH12      ARG  79  18.926  10.091  10.091

  Start of MODEL    9
    1   1H    THR   9           HT3      THR   9  13.060  30.135  30.135
    2   2H    THR   9           HT2      THR   9  14.444  30.196  30.196
    3   3H    THR   9           HT1      THR   9  13.370  28.885  28.885
    4    HA   THR   9           HA       THR   9  15.200  28.089  28.089
    5    HB   THR   9           HB       THR   9  15.184  29.817  29.817
    6    HG1  THR   9           HG1      THR   9  14.945  31.691  31.691
    7   1HG2  THR   9          HG21      THR   9  17.072  28.891  28.891
    8   2HG2  THR   9          HG23      THR   9  17.551  30.295  30.295
    9   3HG2  THR   9          HG22      THR   9  17.198  28.764  28.764
   10    H    PHE  10           HN       PHE  10  14.627  26.453  26.453
   11    HA   PHE  10           HA       PHE  10  11.944  26.596  26.596
   12   1HB   PHE  10           HB2      PHE  10  13.877  24.429  24.429
   13   2HB   PHE  10           HB1      PHE  10  12.771  24.132  24.132
   14    HD1  PHE  10           HD2      PHE  10  12.116  26.208  26.208
   15    HD2  PHE  10           HD1      PHE  10  11.249  22.568  22.568
   16    HE1  PHE  10           HE2      PHE  10  10.307  25.742  25.742
   17    HE2  PHE  10           HE1      PHE  10   9.442  22.107  22.107
   18    HZ   PHE  10           HZ       PHE  10   8.970  23.692  23.692
   19    H    VAL  11           HN       VAL  11  11.715  25.780  25.780
   20    HA   VAL  11           HA       VAL  11  14.086  26.563  26.563
   21    HB   VAL  11           HB       VAL  11  11.146  27.120  27.120
   22   1HG1  VAL  11          HG11      VAL  11  12.400  26.354  26.354
   23   2HG1  VAL  11          HG13      VAL  11  13.483  27.727  27.727
   24   3HG1  VAL  11          HG12      VAL  11  11.773  27.999  27.999
   25   1HG2  VAL  11          HG22      VAL  11  12.965  28.573  28.573
   26   2HG2  VAL  11          HG21      VAL  11  11.622  29.291  29.291
   27   3HG2  VAL  11          HG23      VAL  11  13.225  29.220  29.220
   28    H    ALA  12           HN       ALA  12  14.672  25.084  25.084
   29    HA   ALA  12           HA       ALA  12  13.306  22.504  22.504
   30   1HB   ALA  12           HB1      ALA  12  15.756  23.641  23.641
   31   2HB   ALA  12           HB3      ALA  12  15.079  22.120  22.120
   32   3HB   ALA  12           HB2      ALA  12  15.617  22.262  22.262
   33    H    LEU  13           HN       LEU  13  11.413  22.369  22.369
   34    HA   LEU  13           HA       LEU  13  10.824  24.045  24.045
   35   1HB   LEU  13           HB2      LEU  13   9.391  21.553  21.553
   36   2HB   LEU  13           HB1      LEU  13   8.747  22.779  22.779
   37    HG   LEU  13           HG       LEU  13   9.596  23.269  23.269
   38   1HD1  LEU  13          HD11      LEU  13   7.053  22.470  22.470
   39   2HD1  LEU  13          HD13      LEU  13   6.926  23.810  23.810
   40   3HD1  LEU  13          HD12      LEU  13   7.583  22.261  22.261
   41   1HD2  LEU  13          HD21      LEU  13   8.427  25.021  25.021
   42   2HD2  LEU  13          HD23      LEU  13   9.898  25.288  25.288
   43   3HD2  LEU  13          HD22      LEU  13   8.320  25.446  25.446
   44    H    TYR  14           HN       TYR  14  11.160  20.491  20.491
   45    HA   TYR  14           HA       TYR  14  11.775  20.372  20.372
   46   1HB   TYR  14           HB2      TYR  14  11.461  17.964  17.964
   47   2HB   TYR  14           HB1      TYR  14  11.153  18.103  18.103
   48    HD1  TYR  14           HD2      TYR  14   9.708  20.941  20.941
   49    HD2  TYR  14           HD1      TYR  14   9.156  16.958  16.958
   50    HE1  TYR  14           HE2      TYR  14   7.378  21.458  21.458
   51    HE2  TYR  14           HE1      TYR  14   6.815  17.465  17.465
   52    HH   TYR  14           HH       TYR  14   5.329  20.479  20.479
   53    H    ASP  15           HN       ASP  15  13.767  19.657  19.657
   54    HA   ASP  15           HA       ASP  15  16.051  19.975  19.975
   55   1HB   ASP  15           HB2      ASP  15  17.183  18.684  18.684
   56   2HB   ASP  15           HB1      ASP  15  16.444  20.244  20.244
   57    H    TYR  16           HN       TYR  16  16.501  18.653  18.653
   58    HA   TYR  16           HA       TYR  16  15.687  15.834  15.834
   59   1HB   TYR  16           HB2      TYR  16  15.502  16.896  16.896
   60   2HB   TYR  16           HB1      TYR  16  17.106  17.616  17.616
   61    HD1  TYR  16           HD1      TYR  16  16.083  14.100  14.100
   62    HD2  TYR  16           HD2      TYR  16  18.283  16.687  16.687
   63    HE1  TYR  16           HE1      TYR  16  17.055  12.154  12.154
   64    HE2  TYR  16           HE2      TYR  16  19.256  14.741  14.741
   65    HH   TYR  16           HH       TYR  16  18.372  11.432  11.432
   66    H    GLU  17           HN       GLU  17  16.929  14.364  14.364
   67    HA   GLU  17           HA       GLU  17  19.841  14.899  14.899
   68   1HB   GLU  17           HB2      GLU  17  18.776  14.392  14.392
   69   2HB   GLU  17           HB1      GLU  17  17.929  13.010  13.010
   70   1HG   GLU  17           HG2      GLU  17  20.176  11.953  11.953
   71   2HG   GLU  17           HG1      GLU  17  20.913  13.277  13.277
   72    H    SER  18           HN       SER  18  20.856  14.142  14.142
   73    HA   SER  18           HA       SER  18  19.961  11.748  11.748
   74   1HB   SER  18           HB2      SER  18  22.179  13.719  13.719
   75   2HB   SER  18           HB1      SER  18  22.412  12.130  12.130
   76    HG   SER  18           HG       SER  18  20.825  14.172  14.172
   77    H    ARG  19           HN       ARG  19  21.069   9.723   9.723
   78    HA   ARG  19           HA       ARG  19  22.633   9.160   9.160
   79   1HB   ARG  19           HB2      ARG  19  20.635   7.734   7.734
   80   2HB   ARG  19           HB1      ARG  19  22.124   6.791   6.791
   81   1HG   ARG  19           HG2      ARG  19  21.377   8.004   8.004
   82   2HG   ARG  19           HG1      ARG  19  20.392   6.651   6.651
   83   1HD   ARG  19           HD2      ARG  19  22.237   5.179   5.179
   84   2HD   ARG  19           HD1      ARG  19  23.405   6.499   6.499
   85    HE   ARG  19           HE       ARG  19  23.221   6.562   6.562
   86   1HH1  ARG  19          HH21      ARG  19  20.628   4.810   4.810
   87   2HH1  ARG  19          HH22      ARG  19  19.992   4.240   4.240
   88   1HH2  ARG  19          HH11      ARG  19  22.399   5.823   5.823
   89   2HH2  ARG  19          HH12      ARG  19  20.992   4.813   4.813
   90    H    THR  20           HN       THR  20  23.053   9.652   9.652
   91    HA   THR  20           HA       THR  20  25.732   8.325   8.325
   92    HB   THR  20           HB       THR  20  24.230   7.311   7.311
   93    HG1  THR  20           HG1      THR  20  26.384   7.352   7.352
   94   1HG2  THR  20          HG22      THR  20  23.970  10.184  10.184
   95   2HG2  THR  20          HG21      THR  20  23.835   8.925   8.925
   96   3HG2  THR  20          HG23      THR  20  22.721   8.945   8.945
   97    H    GLU  21           HN       GLU  21  27.262   9.471   9.471
   98    HA   GLU  21           HA       GLU  21  27.303  12.311  12.311
   99   1HB   GLU  21           HB2      GLU  21  29.489  12.212  12.212
  100   2HB   GLU  21           HB1      GLU  21  29.431  11.281  11.281
  101   1HG   GLU  21           HG2      GLU  21  29.109   9.236   9.236
  102   2HG   GLU  21           HG1      GLU  21  28.693  10.068  10.068
  103    H    THR  22           HN       THR  22  26.329  10.386  10.386
  104    HA   THR  22           HA       THR  22  26.753  12.156  12.156
  105    HB   THR  22           HB       THR  22  24.272  10.461  10.461
  106    HG1  THR  22           HG1      THR  22  26.688   9.631   9.631
  107   1HG2  THR  22          HG23      THR  22  24.383  12.050  12.050
  108   2HG2  THR  22          HG22      THR  22  25.822  11.195  11.195
  109   3HG2  THR  22          HG21      THR  22  24.274  10.355  10.355
  110    H    ASP  23           HN       ASP  23  23.562  11.747  11.747
  111    HA   ASP  23           HA       ASP  23  22.741  14.412  14.412
  112   1HB   ASP  23           HB2      ASP  23  21.316  12.841  12.841
  113   2HB   ASP  23           HB1      ASP  23  20.640  13.843  13.843
  114    H    LEU  24           HN       LEU  24  23.092  16.277  16.277
  115    HA   LEU  24           HA       LEU  24  24.494  16.162  16.162
  116   1HB   LEU  24           HB2      LEU  24  23.329  18.724  18.724
  117   2HB   LEU  24           HB1      LEU  24  24.905  18.418  18.418
  118    HG   LEU  24           HG       LEU  24  24.025  17.764  17.764
  119   1HD1  LEU  24          HD12      LEU  24  25.889  19.727  19.727
  120   2HD1  LEU  24          HD11      LEU  24  26.249  19.139  19.139
  121   3HD1  LEU  24          HD13      LEU  24  24.732  19.981  19.981
  122   1HD2  LEU  24          HD21      LEU  24  25.480  15.998  15.998
  123   2HD2  LEU  24          HD23      LEU  24  26.022  16.565  16.565
  124   3HD2  LEU  24          HD22      LEU  24  26.759  17.206  17.206
  125    H    SER  25           HN       SER  25  23.673  17.247  17.247
  126    HA   SER  25           HA       SER  25  20.738  16.829  16.829
  127   1HB   SER  25           HB2      SER  25  21.989  17.409  17.409
  128   2HB   SER  25           HB1      SER  25  21.301  15.880  15.880
  129    HG   SER  25           HG       SER  25  23.418  15.478  15.478
  130    H    PHE  26           HN       PHE  26  19.411  18.516  18.516
  131    HA   PHE  26           HA       PHE  26  20.763  21.149  21.149
  132   1HB   PHE  26           HB2      PHE  26  18.889  22.226  22.226
  133   2HB   PHE  26           HB1      PHE  26  19.897  21.191  21.191
  134    HD1  PHE  26           HD1      PHE  26  16.752  21.237  21.237
  135    HD2  PHE  26           HD2      PHE  26  18.894  19.399  19.399
  136    HE1  PHE  26           HE1      PHE  26  14.735  19.971  19.971
  137    HE2  PHE  26           HE2      PHE  26  16.877  18.143  18.143
  138    HZ   PHE  26           HZ       PHE  26  14.798  18.425  18.425
  139    H    LYS  27           HN       LYS  27  19.843  22.441  22.441
  140    HA   LYS  27           HA       LYS  27  17.874  21.104  21.104
  141   1HB   LYS  27           HB2      LYS  27  19.254  23.774  23.774
  142   2HB   LYS  27           HB1      LYS  27  18.436  22.808  22.808
  143   1HG   LYS  27           HG2      LYS  27  20.164  20.954  20.954
  144   2HG   LYS  27           HG1      LYS  27  21.093  22.364  22.364
  145   1HD   LYS  27           HD2      LYS  27  21.543  22.986  22.986
  146   2HD   LYS  27           HD1      LYS  27  19.918  22.586  22.586
  147   1HE   LYS  27           HE2      LYS  27  20.526  20.169  20.169
  148   2HE   LYS  27           HE1      LYS  27  22.169  20.621  20.621
  149   1HZ   LYS  27           HZ2      LYS  27  21.890  22.134  22.134
  150   2HZ   LYS  27           HZ1      LYS  27  20.807  20.901  20.901
  151   3HZ   LYS  27           HZ3      LYS  27  22.429  20.527  20.527
  152    H    LYS  28           HN       LYS  28  16.450  23.140  23.140
  153    HA   LYS  28           HA       LYS  28  14.609  23.820  23.820
  154   1HB   LYS  28           HB2      LYS  28  13.661  23.193  23.193
  155   2HB   LYS  28           HB1      LYS  28  14.591  24.443  24.443
  156   1HG   LYS  28           HG2      LYS  28  13.279  26.170  26.170
  157   2HG   LYS  28           HG1      LYS  28  12.755  25.218  25.218
  158   1HD   LYS  28           HD2      LYS  28  11.153  24.057  24.057
  159   2HD   LYS  28           HD1      LYS  28  11.989  24.327  24.327
  160   1HE   LYS  28           HE2      LYS  28  11.321  26.879  26.879
  161   2HE   LYS  28           HE1      LYS  28   9.876  25.871  25.871
  162   1HZ   LYS  28           HZ3      LYS  28  11.109  25.400  25.400
  163   2HZ   LYS  28           HZ2      LYS  28  11.080  27.084  27.084
  164   3HZ   LYS  28           HZ1      LYS  28   9.635  26.195  26.195
  165    H    GLY  29           HN       GLY  29  15.435  25.419  25.419
  166   1HA   GLY  29           HA2      GLY  29  15.225  28.038  28.038
  167   2HA   GLY  29           HA1      GLY  29  16.605  27.838  27.838
  168    H    GLU  30           HN       GLU  30  17.542  25.523  25.523
  169    HA   GLU  30           HA       GLU  30  19.279  27.069  27.069
  170   1HB   GLU  30           HB2      GLU  30  20.073  24.963  24.963
  171   2HB   GLU  30           HB1      GLU  30  18.724  24.094  24.094
  172   1HG   GLU  30           HG2      GLU  30  19.746  24.002  24.002
  173   2HG   GLU  30           HG1      GLU  30  20.242  25.693  25.693
  174    H    ARG  31           HN       ARG  31  19.109  27.477  27.477
  175    HA   ARG  31           HA       ARG  31  16.546  26.636  26.636
  176   1HB   ARG  31           HB2      ARG  31  18.399  28.912  28.912
  177   2HB   ARG  31           HB1      ARG  31  16.811  28.575  28.575
  178   1HG   ARG  31           HG2      ARG  31  15.732  29.544  29.544
  179   2HG   ARG  31           HG1      ARG  31  16.779  28.769  28.769
  180   1HD   ARG  31           HD2      ARG  31  16.915  31.331  31.331
  181   2HD   ARG  31           HD1      ARG  31  18.445  30.455  30.455
  182    HE   ARG  31           HE       ARG  31  17.629  30.734  30.734
  183   1HH1  ARG  31          HH21      ARG  31  18.358  32.741  32.741
  184   2HH1  ARG  31          HH22      ARG  31  18.931  34.059  34.059
  185   1HH2  ARG  31          HH11      ARG  31  18.376  32.447  32.447
  186   2HH2  ARG  31          HH12      ARG  31  18.941  33.893  33.893
  187    H    LEU  32           HN       LEU  32  16.623  25.846  25.846
  188    HA   LEU  32           HA       LEU  32  19.299  25.288  25.288
  189   1HB   LEU  32           HB2      LEU  32  17.252  23.112  23.112
  190   2HB   LEU  32           HB1      LEU  32  18.803  22.901  22.901
  191    HG   LEU  32           HG       LEU  32  19.693  24.048  24.048
  192   1HD1  LEU  32          HD13      LEU  32  16.945  23.590  23.590
  193   2HD1  LEU  32          HD12      LEU  32  17.853  22.405  22.405
  194   3HD1  LEU  32          HD11      LEU  32  18.189  24.126  24.126
  195   1HD2  LEU  32          HD23      LEU  32  19.560  21.435  21.435
  196   2HD2  LEU  32          HD22      LEU  32  20.678  22.028  22.028
  197   3HD2  LEU  32          HD21      LEU  32  19.155  21.282  21.282
  198    H    GLN  33           HN       GLN  33  19.244  25.221  25.221
  199    HA   GLN  33           HA       GLN  33  16.766  26.126  26.126
  200   1HB   GLN  33           HB2      GLN  33  19.500  25.454  25.454
  201   2HB   GLN  33           HB1      GLN  33  18.167  26.091  26.091
  202   1HG   GLN  33           HG2      GLN  33  18.066  28.067  28.067
  203   2HG   GLN  33           HG1      GLN  33  19.479  27.445  27.445
  204   1HE2  GLN  33          HE22      GLN  33  19.982  29.463  29.463
  205   2HE2  GLN  33          HE21      GLN  33  18.469  29.326  29.326
  206    H    ILE  34           HN       ILE  34  15.278  24.805  24.805
  207    HA   ILE  34           HA       ILE  34  15.594  21.933  21.933
  208    HB   ILE  34           HB       ILE  34  13.543  23.596  23.596
  209   1HG1  ILE  34          HG12      ILE  34  13.465  24.179  24.179
  210   2HG1  ILE  34          HG11      ILE  34  12.136  23.060  23.060
  211   1HG2  ILE  34          HG23      ILE  34  13.908  21.067  21.067
  212   2HG2  ILE  34          HG22      ILE  34  13.193  20.798  20.798
  213   3HG2  ILE  34          HG21      ILE  34  12.268  21.623  21.623
  214   1HD1  ILE  34          HD11      ILE  34  14.182  21.334  21.334
  215   2HD1  ILE  34          HD13      ILE  34  14.554  22.705  22.705
  216   3HD1  ILE  34          HD12      ILE  34  12.986  21.907  21.907
  217    H    VAL  35           HN       VAL  35  16.222  20.543  20.543
  218    HA   VAL  35           HA       VAL  35  17.291  21.814  21.814
  219    HB   VAL  35           HB       VAL  35  17.705  19.076  19.076
  220   1HG1  VAL  35          HG13      VAL  35  18.424  20.210  20.210
  221   2HG1  VAL  35          HG12      VAL  35  19.547  19.099  19.099
  222   3HG1  VAL  35          HG11      VAL  35  17.904  18.577  18.577
  223   1HG2  VAL  35          HG22      VAL  35  18.841  21.385  21.385
  224   2HG2  VAL  35          HG21      VAL  35  19.742  19.869  19.869
  225   3HG2  VAL  35          HG23      VAL  35  19.896  21.010  21.010
  226    H    ASN  36           HN       ASN  36  15.379  18.944  18.944
  227    HA   ASN  36           HA       ASN  36  13.548  19.401  19.401
  228   1HB   ASN  36           HB2      ASN  36  15.747  18.074  18.074
  229   2HB   ASN  36           HB1      ASN  36  14.848  16.715  16.715
  230   1HD2  ASN  36          HD22      ASN  36  12.849  16.462  16.462
  231   2HD2  ASN  36          HD21      ASN  36  13.583  15.694  15.694
  232    H    ASN  37           HN       ASN  37  12.657  16.629  16.629
  233    HA   ASN  37           HA       ASN  37  11.199  15.221  15.221
  234   1HB   ASN  37           HB2      ASN  37  12.883  16.198  16.198
  235   2HB   ASN  37           HB1      ASN  37  11.695  14.900  14.900
  236   1HD2  ASN  37          HD22      ASN  37  13.989  12.515  12.515
  237   2HD2  ASN  37          HD21      ASN  37  12.602  12.862  12.862
  238    H    THR  38           HN       THR  38   9.300  16.425  16.425
  239    HA   THR  38           HA       THR  38   8.613  18.637  18.637
  240    HB   THR  38           HB       THR  38   8.057  18.796  18.796
  241    HG1  THR  38           HG1      THR  38   5.693  19.104  19.104
  242   1HG2  THR  38          HG23      THR  38   7.147  16.127  16.127
  243   2HG2  THR  38          HG22      THR  38   5.766  17.094  17.094
  244   3HG2  THR  38          HG21      THR  38   7.214  17.012  17.012
  245    H    GLU  39           HN       GLU  39   8.110  15.244  15.244
  246    HA   GLU  39           HA       GLU  39   6.272  15.357  15.357
  247   1HB   GLU  39           HB2      GLU  39   5.488  14.618  14.618
  248   2HB   GLU  39           HB1      GLU  39   5.483  13.161  13.161
  249   1HG   GLU  39           HG2      GLU  39   3.699  13.865  13.865
  250   2HG   GLU  39           HG1      GLU  39   4.347  15.498  15.498
  251    H    GLY  40           HN       GLY  40   5.873  12.510  12.510
  252   1HA   GLY  40           HA2      GLY  40   7.064  10.470  10.470
  253   2HA   GLY  40           HA1      GLY  40   8.572  11.318  11.318
  254    H    ASP  41           HN       ASP  41   9.820  11.237  11.237
  255    HA   ASP  41           HA       ASP  41   8.816  12.413  12.413
  256   1HB   ASP  41           HB2      ASP  41   8.692   9.557   9.557
  257   2HB   ASP  41           HB1      ASP  41   9.851   9.940   9.940
  258    H    TRP  42           HN       TRP  42  11.114  12.505  12.505
  259    HA   TRP  42           HA       TRP  42  13.191  13.060  13.060
  260   1HB   TRP  42           HB2      TRP  42  13.330  10.655  10.655
  261   2HB   TRP  42           HB1      TRP  42  14.814  11.509  11.509
  262    HD1  TRP  42           HD1      TRP  42  12.352   9.007   9.007
  263    HE1  TRP  42           HE1      TRP  42  12.974   8.596   8.596
  264    HE3  TRP  42           HE3      TRP  42  15.632  12.668  12.668
  265    HZ2  TRP  42           HZ2      TRP  42  14.757   9.763   9.763
  266    HZ3  TRP  42           HZ3      TRP  42  16.807  13.064  13.064
  267    HH2  TRP  42           HH2      TRP  42  16.372  11.610  11.610
  268    H    TRP  43           HN       TRP  43  13.689  15.061  15.061
  269    HA   TRP  43           HA       TRP  43  14.126  15.370  15.370
  270   1HB   TRP  43           HB2      TRP  43  13.688  17.589  17.589
  271   2HB   TRP  43           HB1      TRP  43  13.612  17.700  17.700
  272    HD1  TRP  43           HD1      TRP  43  11.872  14.763  14.763
  273    HE1  TRP  43           HE1      TRP  43   9.403  15.100  15.100
  274    HE3  TRP  43           HE3      TRP  43  12.070  19.183  19.183
  275    HZ2  TRP  43           HZ2      TRP  43   7.641  17.103  17.103
  276    HZ3  TRP  43           HZ3      TRP  43  10.068  20.320  20.320
  277    HH2  TRP  43           HH2      TRP  43   7.853  19.284  19.284
  278    H    LEU  44           HN       LEU  44  15.929  16.875  16.875
  279    HA   LEU  44           HA       LEU  44  18.161  16.658  16.658
  280   1HB   LEU  44           HB2      LEU  44  18.597  15.339  15.339
  281   2HB   LEU  44           HB1      LEU  44  18.241  16.730  16.730
  282    HG   LEU  44           HG       LEU  44  20.123  17.900  17.900
  283   1HD1  LEU  44          HD13      LEU  44  20.121  15.550  15.550
  284   2HD1  LEU  44          HD12      LEU  44  21.354  15.204  15.204
  285   3HD1  LEU  44          HD11      LEU  44  21.542  16.584  16.584
  286   1HD2  LEU  44          HD22      LEU  44  20.046  16.937  16.937
  287   2HD2  LEU  44          HD21      LEU  44  21.554  17.519  17.519
  288   3HD2  LEU  44          HD23      LEU  44  21.208  15.790  15.790
  289    H    ALA  45           HN       ALA  45  18.801  18.597  18.597
  290    HA   ALA  45           HA       ALA  45  18.308  21.027  21.027
  291   1HB   ALA  45           HB2      ALA  45  16.866  20.823  20.823
  292   2HB   ALA  45           HB1      ALA  45  18.343  20.928  20.928
  293   3HB   ALA  45           HB3      ALA  45  17.856  22.281  22.281
  294    H    HIS  46           HN       HIS  46  19.876  22.770  22.770
  295    HA   HIS  46           HA       HIS  46  22.550  21.721  21.721
  296   1HB   HIS  46           HB2      HIS  46  22.875  22.236  22.236
  297   2HB   HIS  46           HB1      HIS  46  21.623  23.472  23.472
  298    HD1  HIS  46           HD1      HIS  46  25.179  23.152  23.152
  299    HD2  HIS  46           HD2      HIS  46  22.467  25.958  25.958
  300    HE1  HIS  46           HE1      HIS  46  26.472  25.185  25.185
  301    H    SER  47           HN       SER  47  23.206  22.557  22.557
  302    HA   SER  47           HA       SER  47  21.929  24.702  24.702
  303   1HB   SER  47           HB2      SER  47  24.724  23.566  23.566
  304   2HB   SER  47           HB1      SER  47  23.992  24.706  24.706
  305    HG   SER  47           HG       SER  47  22.366  23.205  23.205
  306    H    LEU  48           HN       LEU  48  22.674  26.884  26.884
  307    HA   LEU  48           HA       LEU  48  24.225  27.956  27.956
  308   1HB   LEU  48           HB2      LEU  48  22.432  29.401  29.401
  309   2HB   LEU  48           HB1      LEU  48  23.199  30.120  30.120
  310    HG   LEU  48           HG       LEU  48  21.263  27.788  27.788
  311   1HD1  LEU  48          HD11      LEU  48  20.492  30.239  30.239
  312   2HD1  LEU  48          HD13      LEU  48  20.587  30.518  30.518
  313   3HD1  LEU  48          HD12      LEU  48  19.523  29.263  29.263
  314   1HD2  LEU  48          HD22      LEU  48  23.140  28.733  28.733
  315   2HD2  LEU  48          HD21      LEU  48  21.768  27.681  27.681
  316   3HD2  LEU  48          HD23      LEU  48  21.610  29.427  29.427
  317    H    THR  49           HN       THR  49  25.173  26.752  26.752
  318    HA   THR  49           HA       THR  49  26.683  29.107  29.107
  319    HB   THR  49           HB       THR  49  27.236  26.670  26.670
  320    HG1  THR  49           HG1      THR  49  25.259  25.945  25.945
  321   1HG2  THR  49          HG23      THR  49  26.207  29.405  29.405
  322   2HG2  THR  49          HG22      THR  49  25.727  28.196  28.196
  323   3HG2  THR  49          HG21      THR  49  27.437  28.496  28.496
  324    H    THR  50           HN       THR  50  27.660  25.687  25.687
  325    HA   THR  50           HA       THR  50  30.326  26.491  26.491
  326    HB   THR  50           HB       THR  50  30.821  24.052  24.052
  327    HG1  THR  50           HG1      THR  50  28.435  23.659  23.659
  328   1HG2  THR  50          HG23      THR  50  29.374  25.317  25.317
  329   2HG2  THR  50          HG22      THR  50  30.374  23.869  23.869
  330   3HG2  THR  50          HG21      THR  50  31.100  25.405  25.405
  331    H    GLY  51           HN       GLY  51  27.384  25.672  25.672
  332   1HA   GLY  51           HA2      GLY  51  26.874  25.479  25.479
  333   2HA   GLY  51           HA1      GLY  51  28.583  25.734  25.734
  334    H    GLN  52           HN       GLN  52  26.900  23.211  23.211
  335    HA   GLN  52           HA       GLN  52  28.224  21.193  21.193
  336   1HB   GLN  52           HB2      GLN  52  27.596  21.090  21.090
  337   2HB   GLN  52           HB1      GLN  52  28.085  19.678  19.678
  338   1HG   GLN  52           HG2      GLN  52  29.842  21.966  21.966
  339   2HG   GLN  52           HG1      GLN  52  29.799  21.493  21.493
  340   1HE2  GLN  52          HE22      GLN  52  31.239  18.254  18.254
  341   2HE2  GLN  52          HE21      GLN  52  30.209  19.099  19.099
  342    H    THR  53           HN       THR  53  26.931  18.952  18.952
  343    HA   THR  53           HA       THR  53  24.148  19.563  19.563
  344    HB   THR  53           HB       THR  53  25.392  16.816  16.816
  345    HG1  THR  53           HG1      THR  53  25.448  18.298  18.298
  346   1HG2  THR  53          HG21      THR  53  22.924  17.968  17.968
  347   2HG2  THR  53          HG23      THR  53  23.788  17.179  17.179
  348   3HG2  THR  53          HG22      THR  53  23.378  16.268  16.268
  349    H    GLY  54           HN       GLY  54  22.350  18.365  18.365
  350   1HA   GLY  54           HA2      GLY  54  22.846  17.031  17.031
  351   2HA   GLY  54           HA1      GLY  54  22.115  18.626  18.626
  352    H    TYR  55           HN       TYR  55  21.621  15.367  15.367
  353    HA   TYR  55           HA       TYR  55  19.100  15.656  15.656
  354   1HB   TYR  55           HB2      TYR  55  20.359  13.404  13.404
  355   2HB   TYR  55           HB1      TYR  55  18.756  13.250  13.250
  356    HD1  TYR  55           HD1      TYR  55  18.479  13.406  13.406
  357    HD2  TYR  55           HD2      TYR  55  22.334  13.408  13.408
  358    HE1  TYR  55           HE1      TYR  55  19.492  12.896  12.896
  359    HE2  TYR  55           HE2      TYR  55  23.347  12.903  12.903
  360    HH   TYR  55           HH       TYR  55  22.705  11.882  11.882
  361    H    ILE  56           HN       ILE  56  17.672  17.036  17.036
  362    HA   ILE  56           HA       ILE  56  17.148  16.577  16.577
  363    HB   ILE  56           HB       ILE  56  15.717  18.561  18.561
  364   1HG1  ILE  56          HG12      ILE  56  16.102  19.599  19.599
  365   2HG1  ILE  56          HG11      ILE  56  15.872  17.883  17.883
  366   1HG2  ILE  56          HG22      ILE  56  18.520  18.475  18.475
  367   2HG2  ILE  56          HG21      ILE  56  17.701  19.892  19.892
  368   3HG2  ILE  56          HG23      ILE  56  17.703  19.602  19.602
  369   1HD1  ILE  56          HD12      ILE  56  14.018  19.563  19.563
  370   2HD1  ILE  56          HD11      ILE  56  13.723  19.160  19.160
  371   3HD1  ILE  56          HD13      ILE  56  13.771  17.883  17.883
  372    HA   PRO  57           HA       PRO  57  13.890  13.705  13.705
  373   1HB   PRO  57           HB2      PRO  57  12.679  14.319  14.319
  374   2HB   PRO  57           HB1      PRO  57  13.577  12.870  12.870
  375   1HG   PRO  57           HG2      PRO  57  14.456  14.983  14.983
  376   2HG   PRO  57           HG1      PRO  57  15.385  13.576  13.576
  377   1HD   PRO  57           HD1      PRO  57  15.709  16.334  16.334
  378   2HD   PRO  57           HD2      PRO  57  16.667  14.927  14.927
  379    H    SER  58           HN       SER  58  11.917  14.047  14.047
  380    HA   SER  58           HA       SER  58  10.856  16.560  16.560
  381   1HB   SER  58           HB2      SER  58   9.059  15.448  15.448
  382   2HB   SER  58           HB1      SER  58  10.132  14.065  14.065
  383    HG   SER  58           HG       SER  58   7.765  14.547  14.547
  384    H    ASN  59           HN       ASN  59  10.425  14.554  14.554
  385    HA   ASN  59           HA       ASN  59   8.544  16.531  16.531
  386   1HB   ASN  59           HB2      ASN  59   8.897  13.695  13.695
  387   2HB   ASN  59           HB1      ASN  59   9.160  14.429  14.429
  388   1HD2  ASN  59          HD22      ASN  59   5.435  14.522  14.522
  389   2HD2  ASN  59          HD21      ASN  59   6.770  14.003  14.003
  390    H    TYR  60           HN       TYR  60   9.144  17.824  17.824
  391    HA   TYR  60           HA       TYR  60  10.498  18.308  18.308
  392   1HB   TYR  60           HB2      TYR  60  12.774  17.274  17.274
  393   2HB   TYR  60           HB1      TYR  60  12.974  18.054  18.054
  394    HD1  TYR  60           HD1      TYR  60  10.104  16.602  16.602
  395    HD2  TYR  60           HD2      TYR  60  13.998  15.326  15.326
  396    HE1  TYR  60           HE1      TYR  60   9.739  14.471  14.471
  397    HE2  TYR  60           HE2      TYR  60  13.621  13.178  13.178
  398    HH   TYR  60           HH       TYR  60  11.374  12.666  12.666
  399    H    VAL  61           HN       VAL  61  10.130  19.244  19.244
  400    HA   VAL  61           HA       VAL  61  11.296  21.913  21.913
  401    HB   VAL  61           HB       VAL  61  12.978  21.063  21.063
  402   1HG1  VAL  61          HG12      VAL  61  10.889  19.309  19.309
  403   2HG1  VAL  61          HG11      VAL  61  11.584  20.076  20.076
  404   3HG1  VAL  61          HG13      VAL  61  12.619  19.178  19.178
  405   1HG2  VAL  61          HG21      VAL  61  12.086  23.212  23.212
  406   2HG2  VAL  61          HG23      VAL  61  12.690  22.216  22.216
  407   3HG2  VAL  61          HG22      VAL  61  10.956  22.338  22.338
  408    H    ALA  62           HN       ALA  62  10.386  23.559  23.559
  409    HA   ALA  62           HA       ALA  62   7.919  22.861  22.861
  410   1HB   ALA  62           HB3      ALA  62   7.796  24.513  24.513
  411   2HB   ALA  62           HB2      ALA  62   6.466  24.328  24.328
  412   3HB   ALA  62           HB1      ALA  62   7.063  22.929  22.929
  413    HA   PRO  63           HA       PRO  63   9.334  26.353  26.353
  414   1HB   PRO  63           HB2      PRO  63   6.712  26.880  26.880
  415   2HB   PRO  63           HB1      PRO  63   8.052  26.051  26.051
  416   1HG   PRO  63           HG2      PRO  63   5.616  24.892  24.892
  417   2HG   PRO  63           HG1      PRO  63   6.943  24.067  24.067
  418   1HD   PRO  63           HD1      PRO  63   6.273  23.969  23.969
  419   2HD   PRO  63           HD2      PRO  63   7.610  23.148  23.148
  420    H    SER  64           HN       SER  64   9.664  28.325  28.325
  421    HA   SER  64           HA       SER  64   7.429  30.048  30.048
  422   1HB   SER  64           HB2      SER  64   7.713  30.145  30.145
  423   2HB   SER  64           HB1      SER  64   7.697  28.423  28.423
  424    HG   SER  64           HG       SER  64   9.826  30.077  30.077
  425   1H    ALA  71           HT3      ALA  71   1.373  15.835  15.835
  426   2H    ALA  71           HT2      ALA  71   1.833  17.324  17.324
  427   3H    ALA  71           HT1      ALA  71   2.637  16.729  16.729
  428    HA   ALA  71           HA       ALA  71   4.023  16.395  16.395
  429   1HB   ALA  71           HB1      ALA  71   1.595  16.034  16.034
  430   2HB   ALA  71           HB3      ALA  71   2.291  14.414  14.414
  431   3HB   ALA  71           HB2      ALA  71   3.189  15.751  15.751
  432    H    PHE  72           HN       PHE  72   4.785  13.994  13.994
  433    HA   PHE  72           HA       PHE  72   5.588  11.936  11.936
  434   1HB   PHE  72           HB2      PHE  72   2.775  12.083  12.083
  435   2HB   PHE  72           HB1      PHE  72   3.742  11.056  11.056
  436    HD1  PHE  72           HD1      PHE  72   5.323   9.342   9.342
  437    HD2  PHE  72           HD2      PHE  72   2.026  11.225  11.225
  438    HE1  PHE  72           HE1      PHE  72   5.311   7.577   7.577
  439    HE2  PHE  72           HE2      PHE  72   2.018   9.458   9.458
  440    HZ   PHE  72           HZ       PHE  72   3.660   7.633   7.633
  441    H    ALA  73           HN       ALA  73   7.133  13.549  13.549
  442    HA   ALA  73           HA       ALA  73   6.888  14.307  14.307
  443   1HB   ALA  73           HB3      ALA  73   8.782  14.813  14.813
  444   2HB   ALA  73           HB2      ALA  73   9.494  13.300  13.300
  445   3HB   ALA  73           HB1      ALA  73   9.231  14.623  14.623
  446    HA   PRO  74           HA       PRO  74   6.685  10.417  10.417
  447   1HB   PRO  74           HB2      PRO  74   7.695  11.592  11.592
  448   2HB   PRO  74           HB1      PRO  74   6.020  11.194  11.194
  449   1HG   PRO  74           HG2      PRO  74   7.218  13.813  13.813
  450   2HG   PRO  74           HG1      PRO  74   5.546  13.414  13.414
  451   1HD   PRO  74           HD1      PRO  74   7.639  14.353  14.353
  452   2HD   PRO  74           HD2      PRO  74   5.951  13.989  13.989
  453    HA   PRO  75           HA       PRO  75  11.085   9.557   9.557
  454   1HB   PRO  75           HB2      PRO  75  10.461   6.767   6.767
  455   2HB   PRO  75           HB1      PRO  75  10.856   7.621   7.621
  456   1HG   PRO  75           HG2      PRO  75   8.282   6.616   6.616
  457   2HG   PRO  75           HG1      PRO  75   8.675   7.492   7.492
  458   1HD   PRO  75           HD1      PRO  75   7.218   8.458   8.458
  459   2HD   PRO  75           HD2      PRO  75   7.583   9.324   9.324
  460    H    LEU  76           HN       LEU  76  12.703   9.139   9.139
  461    HA   LEU  76           HA       LEU  76  12.291   9.363   9.363
  462   1HB   LEU  76           HB2      LEU  76  14.405   7.646   7.646
  463   2HB   LEU  76           HB1      LEU  76  14.473   8.238   8.238
  464    HG   LEU  76           HG       LEU  76  14.267  10.021  10.021
  465   1HD1  LEU  76          HD12      LEU  76  16.457   8.581   8.581
  466   2HD1  LEU  76          HD11      LEU  76  16.709   9.921   9.921
  467   3HD1  LEU  76          HD13      LEU  76  16.559  10.232  10.232
  468   1HD2  LEU  76          HD22      LEU  76  13.687  10.512  10.512
  469   2HD2  LEU  76          HD21      LEU  76  14.001  11.729  11.729
  470   3HD2  LEU  76          HD23      LEU  76  15.316  11.150  11.150
  471    HA   PRO  77           HA       PRO  77  10.140   5.483   5.483
  472   1HB   PRO  77           HB2      PRO  77   9.500   6.245   6.245
  473   2HB   PRO  77           HB1      PRO  77   8.479   6.462   6.462
  474   1HG   PRO  77           HG2      PRO  77   9.898   8.495   8.495
  475   2HG   PRO  77           HG1      PRO  77   8.752   8.724   8.724
  476   1HD   PRO  77           HD1      PRO  77  11.636   8.990   8.990
  477   2HD   PRO  77           HD2      PRO  77  10.480   9.279   9.279
  478    H    ARG  78           HN       ARG  78  12.936   5.363   5.363
  479    HA   ARG  78           HA       ARG  78  14.727   4.519   4.519
  480   1HB   ARG  78           HB2      ARG  78  13.374   2.550   2.550
  481   2HB   ARG  78           HB1      ARG  78  12.569   2.526   2.526
  482   1HG   ARG  78           HG2      ARG  78  14.419   1.719   1.719
  483   2HG   ARG  78           HG1      ARG  78  15.537   2.621   2.621
  484   1HD   ARG  78           HD2      ARG  78  15.624   0.966   0.966
  485   2HD   ARG  78           HD1      ARG  78  13.971   0.435   0.435
  486    HE   ARG  78           HE       ARG  78  14.824  -1.081  -1.081
  487   1HH1  ARG  78          HH21      ARG  78  17.100   1.402   1.402
  488   2HH1  ARG  78          HH22      ARG  78  18.383   0.686   0.686
  489   1HH2  ARG  78          HH11      ARG  78  16.491  -2.022  -2.022
  490   2HH2  ARG  78          HH12      ARG  78  18.040  -1.249  -1.249
  491    H    ARG  79           HN       ARG  79  14.086   6.567   6.567
  492    HA   ARG  79           HA       ARG  79  13.948   7.394   7.394
  493   1HB   ARG  79           HB2      ARG  79  14.821   4.555   4.555
  494   2HB   ARG  79           HB1      ARG  79  14.872   5.907   5.907
  495   1HG   ARG  79           HG2      ARG  79  16.312   5.868   5.868
  496   2HG   ARG  79           HG1      ARG  79  17.073   5.472   5.472
  497   1HD   ARG  79           HD2      ARG  79  16.210   7.766   7.766
  498   2HD   ARG  79           HD1      ARG  79  15.929   8.120   8.120
  499    HE   ARG  79           HE       ARG  79  18.614   7.140   7.140
  500   1HH1  ARG  79          HH21      ARG  79  16.514   9.861   9.861
  501   2HH1  ARG  79          HH22      ARG  79  17.792  11.024  11.024
  502   1HH2  ARG  79          HH11      ARG  79  20.286   8.649   8.649
  503   2HH2  ARG  79          HH12      ARG  79  19.923  10.340  10.340

  Start of MODEL   10
    1   1H    THR   9           HT2      THR   9  14.167  27.775  27.775
    2   2H    THR   9           HT1      THR   9  13.756  29.422  29.422
    3   3H    THR   9           HT3      THR   9  15.355  28.942  28.942
    4    HA   THR   9           HA       THR   9  15.765  28.364  28.364
    5    HB   THR   9           HB       THR   9  14.109  30.512  30.512
    6    HG1  THR   9           HG1      THR   9  15.275  30.832  30.832
    7   1HG2  THR   9          HG21      THR   9  16.857  29.723  29.723
    8   2HG2  THR   9          HG23      THR   9  16.725  31.395  31.395
    9   3HG2  THR   9          HG22      THR   9  16.123  30.934  30.934
   10    H    PHE  10           HN       PHE  10  14.876  26.545  26.545
   11    HA   PHE  10           HA       PHE  10  12.001  26.646  26.646
   12   1HB   PHE  10           HB2      PHE  10  13.898  24.487  24.487
   13   2HB   PHE  10           HB1      PHE  10  12.783  24.109  24.109
   14    HD1  PHE  10           HD2      PHE  10  12.056  26.460  26.460
   15    HD2  PHE  10           HD1      PHE  10  11.356  22.561  22.561
   16    HE1  PHE  10           HE2      PHE  10  10.248  26.129  26.129
   17    HE2  PHE  10           HE1      PHE  10   9.547  22.235  22.235
   18    HZ   PHE  10           HZ       PHE  10   8.993  24.016  24.016
   19    H    VAL  11           HN       VAL  11  11.459  25.884  25.884
   20    HA   VAL  11           HA       VAL  11  13.650  26.493  26.493
   21    HB   VAL  11           HB       VAL  11  10.747  26.552  26.552
   22   1HG1  VAL  11          HG13      VAL  11  13.267  27.257  27.257
   23   2HG1  VAL  11          HG12      VAL  11  12.326  28.735  28.735
   24   3HG1  VAL  11          HG11      VAL  11  11.664  27.385  27.385
   25   1HG2  VAL  11          HG23      VAL  11  10.972  27.829  27.829
   26   2HG2  VAL  11          HG22      VAL  11  10.542  28.851  28.851
   27   3HG2  VAL  11          HG21      VAL  11  12.200  28.833  28.833
   28    H    ALA  12           HN       ALA  12  13.997  25.029  25.029
   29    HA   ALA  12           HA       ALA  12  12.844  22.342  22.342
   30   1HB   ALA  12           HB1      ALA  12  15.146  23.457  23.457
   31   2HB   ALA  12           HB3      ALA  12  14.495  21.872  21.872
   32   3HB   ALA  12           HB2      ALA  12  15.139  22.161  22.161
   33    H    LEU  13           HN       LEU  13  10.791  22.258  22.258
   34    HA   LEU  13           HA       LEU  13   9.967  23.630  23.630
   35   1HB   LEU  13           HB2      LEU  13   8.833  21.087  21.087
   36   2HB   LEU  13           HB1      LEU  13   8.019  22.146  22.146
   37    HG   LEU  13           HG       LEU  13   8.886  22.872  22.872
   38   1HD1  LEU  13          HD13      LEU  13   6.410  21.901  21.901
   39   2HD1  LEU  13          HD12      LEU  13   6.185  23.399  23.399
   40   3HD1  LEU  13          HD11      LEU  13   6.858  21.979  21.979
   41   1HD2  LEU  13          HD22      LEU  13   8.199  24.491  24.491
   42   2HD2  LEU  13          HD21      LEU  13   9.058  24.956  24.956
   43   3HD2  LEU  13          HD23      LEU  13   7.295  24.911  24.911
   44    H    TYR  14           HN       TYR  14  10.698  20.161  20.161
   45    HA   TYR  14           HA       TYR  14  11.068  19.905  19.905
   46   1HB   TYR  14           HB2      TYR  14  11.153  17.640  17.640
   47   2HB   TYR  14           HB1      TYR  14  10.763  17.570  17.570
   48    HD1  TYR  14           HD1      TYR  14   9.055  20.317  20.317
   49    HD2  TYR  14           HD2      TYR  14   8.959  16.379  16.379
   50    HE1  TYR  14           HE1      TYR  14   6.714  20.634  20.634
   51    HE2  TYR  14           HE2      TYR  14   6.597  16.674  16.674
   52    HH   TYR  14           HH       TYR  14   4.646  18.217  18.217
   53    H    ASP  15           HN       ASP  15  13.056  19.364  19.364
   54    HA   ASP  15           HA       ASP  15  15.427  20.016  20.016
   55   1HB   ASP  15           HB2      ASP  15  16.527  18.776  18.776
   56   2HB   ASP  15           HB1      ASP  15  15.588  20.229  20.229
   57    H    TYR  16           HN       TYR  16  16.451  18.813  18.813
   58    HA   TYR  16           HA       TYR  16  15.882  15.896  15.896
   59   1HB   TYR  16           HB2      TYR  16  15.524  17.134  17.134
   60   2HB   TYR  16           HB1      TYR  16  17.160  17.786  17.786
   61    HD1  TYR  16           HD2      TYR  16  16.213  14.313  14.313
   62    HD2  TYR  16           HD1      TYR  16  18.031  16.816  16.816
   63    HE1  TYR  16           HE2      TYR  16  17.044  12.332  12.332
   64    HE2  TYR  16           HE1      TYR  16  18.855  14.838  14.838
   65    HH   TYR  16           HH       TYR  16  17.794  11.661  11.661
   66    H    GLU  17           HN       GLU  17  17.329  14.716  14.716
   67    HA   GLU  17           HA       GLU  17  20.198  15.561  15.561
   68   1HB   GLU  17           HB2      GLU  17  18.951  15.521  15.521
   69   2HB   GLU  17           HB1      GLU  17  18.986  13.764  13.764
   70   1HG   GLU  17           HG2      GLU  17  21.437  13.815  13.815
   71   2HG   GLU  17           HG1      GLU  17  21.420  15.574  15.574
   72    H    SER  18           HN       SER  18  20.048  14.287  14.287
   73    HA   SER  18           HA       SER  18  19.561  11.558  11.558
   74   1HB   SER  18           HB2      SER  18  20.218  12.855  12.855
   75   2HB   SER  18           HB1      SER  18  21.796  13.198  13.198
   76    HG   SER  18           HG       SER  18  20.780  10.684  10.684
   77    H    ARG  19           HN       ARG  19  21.302   9.785   9.785
   78    HA   ARG  19           HA       ARG  19  23.129  10.032  10.032
   79   1HB   ARG  19           HB2      ARG  19  22.305   7.358   7.358
   80   2HB   ARG  19           HB1      ARG  19  22.655   7.848   7.848
   81   1HG   ARG  19           HG2      ARG  19  20.404   7.880   7.880
   82   2HG   ARG  19           HG1      ARG  19  20.459   9.398   9.398
   83   1HD   ARG  19           HD2      ARG  19  19.539   8.468   8.468
   84   2HD   ARG  19           HD1      ARG  19  20.497   6.996   6.996
   85    HE   ARG  19           HE       ARG  19  18.377   7.205   7.205
   86   1HH1  ARG  19          HH21      ARG  19  19.273   6.262   6.262
   87   2HH1  ARG  19          HH22      ARG  19  18.005   5.092   5.092
   88   1HH2  ARG  19          HH11      ARG  19  16.720   5.682   5.682
   89   2HH2  ARG  19          HH12      ARG  19  16.564   4.763   4.763
   90    H    THR  20           HN       THR  20  23.049   9.826   9.826
   91    HA   THR  20           HA       THR  20  25.746   8.538   8.538
   92    HB   THR  20           HB       THR  20  24.192   7.317   7.317
   93    HG1  THR  20           HG1      THR  20  25.710   7.285   7.285
   94   1HG2  THR  20          HG22      THR  20  23.186  10.013  10.013
   95   2HG2  THR  20          HG21      THR  20  23.324   9.025   9.025
   96   3HG2  THR  20          HG23      THR  20  22.351   8.461   8.461
   97    H    GLU  21           HN       GLU  21  27.175   9.489   9.489
   98    HA   GLU  21           HA       GLU  21  27.162  12.418  12.418
   99   1HB   GLU  21           HB2      GLU  21  29.341  12.138  12.138
  100   2HB   GLU  21           HB1      GLU  21  29.317  11.472  11.472
  101   1HG   GLU  21           HG2      GLU  21  29.510   9.342   9.342
  102   2HG   GLU  21           HG1      GLU  21  28.333   9.605   9.605
  103    H    THR  22           HN       THR  22  25.298  10.705  10.705
  104    HA   THR  22           HA       THR  22  26.008  11.739  11.739
  105    HB   THR  22           HB       THR  22  23.575  10.202  10.202
  106    HG1  THR  22           HG1      THR  22  24.940   8.626   8.626
  107   1HG2  THR  22          HG21      THR  22  23.343  11.662  11.662
  108   2HG2  THR  22          HG23      THR  22  24.519  10.583  10.583
  109   3HG2  THR  22          HG22      THR  22  22.971   9.949   9.949
  110    H    ASP  23           HN       ASP  23  22.785  11.809  11.809
  111    HA   ASP  23           HA       ASP  23  22.157  14.359  14.359
  112   1HB   ASP  23           HB2      ASP  23  20.700  13.355  13.355
  113   2HB   ASP  23           HB1      ASP  23  20.056  14.115  14.115
  114    H    LEU  24           HN       LEU  24  21.846  16.390  16.390
  115    HA   LEU  24           HA       LEU  24  23.841  16.803  16.803
  116   1HB   LEU  24           HB2      LEU  24  22.169  18.601  18.601
  117   2HB   LEU  24           HB1      LEU  24  22.952  19.246  19.246
  118    HG   LEU  24           HG       LEU  24  24.203  19.274  19.274
  119   1HD1  LEU  24          HD13      LEU  24  25.437  18.461  18.461
  120   2HD1  LEU  24          HD12      LEU  24  26.370  19.023  19.023
  121   3HD1  LEU  24          HD11      LEU  24  25.209  20.100  20.100
  122   1HD2  LEU  24          HD23      LEU  24  23.878  16.755  16.755
  123   2HD2  LEU  24          HD22      LEU  24  25.531  17.332  17.332
  124   3HD2  LEU  24          HD21      LEU  24  25.051  16.569  16.569
  125    H    SER  25           HN       SER  25  23.297  17.734  17.734
  126    HA   SER  25           HA       SER  25  20.493  17.132  17.132
  127   1HB   SER  25           HB2      SER  25  23.141  16.909  16.909
  128   2HB   SER  25           HB1      SER  25  21.836  17.500  17.500
  129    HG   SER  25           HG       SER  25  22.213  15.021  15.021
  130    H    PHE  26           HN       PHE  26  19.191  18.815  18.815
  131    HA   PHE  26           HA       PHE  26  20.504  21.431  21.431
  132   1HB   PHE  26           HB2      PHE  26  18.399  22.452  22.452
  133   2HB   PHE  26           HB1      PHE  26  19.543  21.716  21.716
  134    HD1  PHE  26           HD1      PHE  26  16.339  21.216  21.216
  135    HD2  PHE  26           HD2      PHE  26  18.928  19.742  19.742
  136    HE1  PHE  26           HE1      PHE  26  14.563  19.708  19.708
  137    HE2  PHE  26           HE2      PHE  26  17.152  18.236  18.236
  138    HZ   PHE  26           HZ       PHE  26  14.967  18.219  18.219
  139    H    LYS  27           HN       LYS  27  18.998  22.894  22.894
  140    HA   LYS  27           HA       LYS  27  17.533  21.236  21.236
  141   1HB   LYS  27           HB2      LYS  27  18.210  24.132  24.132
  142   2HB   LYS  27           HB1      LYS  27  18.061  22.840  22.840
  143   1HG   LYS  27           HG2      LYS  27  20.125  21.792  21.792
  144   2HG   LYS  27           HG1      LYS  27  20.294  23.174  23.174
  145   1HD   LYS  27           HD2      LYS  27  21.670  23.751  23.751
  146   2HD   LYS  27           HD1      LYS  27  20.166  24.604  24.604
  147   1HE   LYS  27           HE2      LYS  27  19.530  23.062  23.062
  148   2HE   LYS  27           HE1      LYS  27  20.607  21.811  21.811
  149   1HZ   LYS  27           HZ2      LYS  27  22.011  24.185  24.185
  150   2HZ   LYS  27           HZ1      LYS  27  21.143  23.524  23.524
  151   3HZ   LYS  27           HZ3      LYS  27  22.280  22.575  22.575
  152    H    LYS  28           HN       LYS  28  15.799  22.960  22.960
  153    HA   LYS  28           HA       LYS  28  13.786  23.295  23.295
  154   1HB   LYS  28           HB2      LYS  28  13.008  22.559  22.559
  155   2HB   LYS  28           HB1      LYS  28  13.809  23.903  23.903
  156   1HG   LYS  28           HG2      LYS  28  12.247  25.466  25.466
  157   2HG   LYS  28           HG1      LYS  28  11.768  24.466  24.466
  158   1HD   LYS  28           HD2      LYS  28  10.886  22.801  22.801
  159   2HD   LYS  28           HD1      LYS  28  11.028  24.140  24.140
  160   1HE   LYS  28           HE2      LYS  28   9.454  25.461  25.461
  161   2HE   LYS  28           HE1      LYS  28   9.554  24.429  24.429
  162   1HZ   LYS  28           HZ3      LYS  28   8.751  23.102  23.102
  163   2HZ   LYS  28           HZ2      LYS  28   7.640  24.236  24.236
  164   3HZ   LYS  28           HZ1      LYS  28   8.143  22.938  22.938
  165    H    GLY  29           HN       GLY  29  14.006  25.022  25.022
  166   1HA   GLY  29           HA2      GLY  29  13.518  27.478  27.478
  167   2HA   GLY  29           HA1      GLY  29  14.628  27.668  27.668
  168    H    GLU  30           HN       GLU  30  16.154  25.370  25.370
  169    HA   GLU  30           HA       GLU  30  18.160  27.091  27.091
  170   1HB   GLU  30           HB2      GLU  30  18.490  24.686  24.686
  171   2HB   GLU  30           HB1      GLU  30  17.654  24.203  24.203
  172   1HG   GLU  30           HG2      GLU  30  20.034  24.161  24.161
  173   2HG   GLU  30           HG1      GLU  30  19.346  25.540  25.540
  174    H    ARG  31           HN       ARG  31  18.630  27.589  27.589
  175    HA   ARG  31           HA       ARG  31  16.301  27.227  27.227
  176   1HB   ARG  31           HB2      ARG  31  18.265  29.504  29.504
  177   2HB   ARG  31           HB1      ARG  31  17.273  29.319  29.319
  178   1HG   ARG  31           HG2      ARG  31  15.353  29.913  29.913
  179   2HG   ARG  31           HG1      ARG  31  15.820  29.087  29.087
  180   1HD   ARG  31           HD2      ARG  31  17.249  30.900  30.900
  181   2HD   ARG  31           HD1      ARG  31  17.114  31.663  31.663
  182    HE   ARG  31           HE       ARG  31  15.182  31.877  31.877
  183   1HH1  ARG  31          HH21      ARG  31  15.687  31.861  31.861
  184   2HH1  ARG  31          HH22      ARG  31  14.281  32.811  32.811
  185   1HH2  ARG  31          HH11      ARG  31  13.345  33.116  33.116
  186   2HH2  ARG  31          HH12      ARG  31  12.957  33.521  33.521
  187    H    LEU  32           HN       LEU  32  16.719  26.333  26.333
  188    HA   LEU  32           HA       LEU  32  19.577  25.962  25.962
  189   1HB   LEU  32           HB2      LEU  32  17.444  23.804  23.804
  190   2HB   LEU  32           HB1      LEU  32  19.109  23.635  23.635
  191    HG   LEU  32           HG       LEU  32  19.389  24.623  24.623
  192   1HD1  LEU  32          HD12      LEU  32  17.028  22.754  22.754
  193   2HD1  LEU  32          HD11      LEU  32  17.998  22.843  22.843
  194   3HD1  LEU  32          HD13      LEU  32  17.148  24.274  24.274
  195   1HD2  LEU  32          HD21      LEU  32  20.336  22.544  22.544
  196   2HD2  LEU  32          HD23      LEU  32  20.649  22.733  22.733
  197   3HD2  LEU  32          HD22      LEU  32  19.348  21.675  21.675
  198    H    GLN  33           HN       GLN  33  19.391  24.781  24.781
  199    HA   GLN  33           HA       GLN  33  17.496  26.496  26.496
  200   1HB   GLN  33           HB2      GLN  33  20.187  26.658  26.658
  201   2HB   GLN  33           HB1      GLN  33  19.919  25.379  25.379
  202   1HG   GLN  33           HG2      GLN  33  17.944  27.220  27.220
  203   2HG   GLN  33           HG1      GLN  33  19.314  28.242  28.242
  204   1HE2  GLN  33          HE22      GLN  33  19.912  27.608  27.608
  205   2HE2  GLN  33          HE21      GLN  33  18.946  28.591  28.591
  206    H    ILE  34           HN       ILE  34  15.928  24.708  24.708
  207    HA   ILE  34           HA       ILE  34  16.335  22.045  22.045
  208    HB   ILE  34           HB       ILE  34  13.934  23.863  23.863
  209   1HG1  ILE  34          HG12      ILE  34  14.699  23.136  23.136
  210   2HG1  ILE  34          HG11      ILE  34  13.113  22.478  22.478
  211   1HG2  ILE  34          HG23      ILE  34  14.394  21.221  21.221
  212   2HG2  ILE  34          HG22      ILE  34  12.960  21.287  21.287
  213   3HG2  ILE  34          HG21      ILE  34  13.128  22.403  22.403
  214   1HD1  ILE  34          HD13      ILE  34  15.054  20.653  20.653
  215   2HD1  ILE  34          HD12      ILE  34  15.521  21.056  21.056
  216   3HD1  ILE  34          HD11      ILE  34  13.917  20.401  20.401
  217    H    VAL  35           HN       VAL  35  16.407  20.988  20.988
  218    HA   VAL  35           HA       VAL  35  16.601  22.742  22.742
  219    HB   VAL  35           HB       VAL  35  17.816  20.005  20.005
  220   1HG1  VAL  35          HG13      VAL  35  17.220  21.343  21.343
  221   2HG1  VAL  35          HG12      VAL  35  18.956  21.534  21.534
  222   3HG1  VAL  35          HG11      VAL  35  18.244  19.921  19.921
  223   1HG2  VAL  35          HG23      VAL  35  18.665  22.696  22.696
  224   2HG2  VAL  35          HG22      VAL  35  19.440  21.161  21.161
  225   3HG2  VAL  35          HG21      VAL  35  19.790  21.959  21.959
  226    H    ASN  36           HN       ASN  36  15.154  19.849  19.849
  227    HA   ASN  36           HA       ASN  36  13.336  19.741  19.741
  228   1HB   ASN  36           HB2      ASN  36  15.099  17.882  17.882
  229   2HB   ASN  36           HB1      ASN  36  14.281  17.288  17.288
  230   1HD2  ASN  36          HD22      ASN  36  11.531  15.948  15.948
  231   2HD2  ASN  36          HD21      ASN  36  12.191  16.285  16.285
  232    H    ASN  37           HN       ASN  37  11.181  18.918  18.918
  233    HA   ASN  37           HA       ASN  37  10.347  18.124  18.124
  234   1HB   ASN  37           HB2      ASN  37   9.263  20.283  20.283
  235   2HB   ASN  37           HB1      ASN  37  11.026  20.292  20.292
  236   1HD2  ASN  37          HD22      ASN  37  11.383  22.694  22.694
  237   2HD2  ASN  37          HD21      ASN  37  12.185  21.504  21.504
  238    H    THR  38           HN       THR  38   8.619  16.964  16.964
  239    HA   THR  38           HA       THR  38   6.296  18.270  18.270
  240    HB   THR  38           HB       THR  38   7.917  18.198  18.198
  241    HG1  THR  38           HG1      THR  38   6.009  18.521  18.521
  242   1HG2  THR  38          HG22      THR  38   8.687  15.865  15.865
  243   2HG2  THR  38          HG21      THR  38   7.067  15.288  15.288
  244   3HG2  THR  38          HG23      THR  38   8.044  16.070  16.070
  245    H    GLU  39           HN       GLU  39   8.064  15.190  15.190
  246    HA   GLU  39           HA       GLU  39   5.736  13.963  13.963
  247   1HB   GLU  39           HB2      GLU  39   6.236  13.603  13.603
  248   2HB   GLU  39           HB1      GLU  39   6.570  12.081  12.081
  249   1HG   GLU  39           HG2      GLU  39   4.386  11.773  11.773
  250   2HG   GLU  39           HG1      GLU  39   4.125  13.491  13.491
  251    H    GLY  40           HN       GLY  40   9.021  13.587  13.587
  252   1HA   GLY  40           HA2      GLY  40   9.840  11.221  11.221
  253   2HA   GLY  40           HA1      GLY  40  10.900  12.623  12.623
  254    H    ASP  41           HN       ASP  41  10.468  10.603  10.603
  255    HA   ASP  41           HA       ASP  41   9.354  12.219  12.219
  256   1HB   ASP  41           HB2      ASP  41   9.587   9.536   9.536
  257   2HB   ASP  41           HB1      ASP  41  11.003   9.842   9.842
  258    H    TRP  42           HN       TRP  42  12.307  12.122  12.122
  259    HA   TRP  42           HA       TRP  42  13.600  13.555  13.555
  260   1HB   TRP  42           HB2      TRP  42  14.643  11.161  11.161
  261   2HB   TRP  42           HB1      TRP  42  15.774  12.357  12.357
  262    HD1  TRP  42           HD1      TRP  42  13.622   9.441   9.441
  263    HE1  TRP  42           HE1      TRP  42  13.847   9.257   9.257
  264    HE3  TRP  42           HE3      TRP  42  15.960  13.717  13.717
  265    HZ2  TRP  42           HZ2      TRP  42  14.949  10.839  10.839
  266    HZ3  TRP  42           HZ3      TRP  42  16.618  14.419  14.419
  267    HH2  TRP  42           HH2      TRP  42  16.111  12.981  12.981
  268    H    TRP  43           HN       TRP  43  13.990  15.564  15.564
  269    HA   TRP  43           HA       TRP  43  14.539  15.854  15.854
  270   1HB   TRP  43           HB2      TRP  43  14.083  18.005  18.005
  271   2HB   TRP  43           HB1      TRP  43  14.131  18.230  18.230
  272    HD1  TRP  43           HD1      TRP  43  12.324  15.653  15.653
  273    HE1  TRP  43           HE1      TRP  43   9.851  15.839  15.839
  274    HE3  TRP  43           HE3      TRP  43  12.498  19.219  19.219
  275    HZ2  TRP  43           HZ2      TRP  43   8.078  17.392  17.392
  276    HZ3  TRP  43           HZ3      TRP  43  10.479  20.081  20.081
  277    HH2  TRP  43           HH2      TRP  43   8.270  19.167  19.167
  278    H    LEU  44           HN       LEU  44  16.298  17.411  17.411
  279    HA   LEU  44           HA       LEU  44  18.653  17.027  17.027
  280   1HB   LEU  44           HB2      LEU  44  18.966  16.008  16.008
  281   2HB   LEU  44           HB1      LEU  44  18.462  17.491  17.491
  282    HG   LEU  44           HG       LEU  44  20.788  17.536  17.536
  283   1HD1  LEU  44          HD11      LEU  44  21.047  15.692  15.692
  284   2HD1  LEU  44          HD13      LEU  44  21.062  16.989  16.989
  285   3HD1  LEU  44          HD12      LEU  44  22.315  16.917  16.917
  286   1HD2  LEU  44          HD23      LEU  44  19.609  19.240  19.240
  287   2HD2  LEU  44          HD22      LEU  44  20.404  19.710  19.710
  288   3HD2  LEU  44          HD21      LEU  44  21.370  19.224  19.224
  289    H    ALA  45           HN       ALA  45  19.002  18.864  18.864
  290    HA   ALA  45           HA       ALA  45  18.518  21.481  21.481
  291   1HB   ALA  45           HB3      ALA  45  17.601  20.538  20.538
  292   2HB   ALA  45           HB2      ALA  45  18.918  21.636  21.636
  293   3HB   ALA  45           HB1      ALA  45  17.561  22.208  22.208
  294    H    HIS  46           HN       HIS  46  19.999  23.244  23.244
  295    HA   HIS  46           HA       HIS  46  22.771  22.130  22.130
  296   1HB   HIS  46           HB2      HIS  46  22.437  23.233  23.233
  297   2HB   HIS  46           HB1      HIS  46  21.872  24.689  24.689
  298    HD1  HIS  46           HD1      HIS  46  24.773  22.859  22.859
  299    HD2  HIS  46           HD2      HIS  46  24.088  26.213  26.213
  300    HE1  HIS  46           HE1      HIS  46  26.909  24.039  24.039
  301    H    SER  47           HN       SER  47  24.024  22.986  22.986
  302    HA   SER  47           HA       SER  47  22.608  24.561  24.561
  303   1HB   SER  47           HB2      SER  47  25.492  23.625  23.625
  304   2HB   SER  47           HB1      SER  47  24.602  24.212  24.212
  305    HG   SER  47           HG       SER  47  23.070  22.393  22.393
  306    H    LEU  48           HN       LEU  48  23.813  25.577  25.577
  307    HA   LEU  48           HA       LEU  48  24.944  27.514  27.514
  308   1HB   LEU  48           HB2      LEU  48  23.451  28.565  28.565
  309   2HB   LEU  48           HB1      LEU  48  24.120  29.565  29.565
  310    HG   LEU  48           HG       LEU  48  21.933  27.480  27.480
  311   1HD1  LEU  48          HD13      LEU  48  21.660  30.031  30.031
  312   2HD1  LEU  48          HD12      LEU  48  21.708  30.298  30.298
  313   3HD1  LEU  48          HD11      LEU  48  20.476  29.248  29.248
  314   1HD2  LEU  48          HD21      LEU  48  23.374  29.077  29.077
  315   2HD2  LEU  48          HD23      LEU  48  23.415  27.326  27.326
  316   3HD2  LEU  48          HD22      LEU  48  21.915  28.123  28.123
  317    H    THR  49           HN       THR  49  26.405  25.833  25.833
  318    HA   THR  49           HA       THR  49  27.974  27.944  27.944
  319    HB   THR  49           HB       THR  49  28.023  24.928  24.928
  320    HG1  THR  49           HG1      THR  49  27.020  26.934  26.934
  321   1HG2  THR  49          HG22      THR  49  29.981  26.790  26.790
  322   2HG2  THR  49          HG21      THR  49  29.079  26.593  26.593
  323   3HG2  THR  49          HG23      THR  49  29.800  25.188  25.188
  324    H    THR  50           HN       THR  50  29.721  25.047  25.047
  325    HA   THR  50           HA       THR  50  31.492  26.472  26.472
  326    HB   THR  50           HB       THR  50  32.826  24.228  24.228
  327    HG1  THR  50           HG1      THR  50  31.515  24.202  24.202
  328   1HG2  THR  50          HG23      THR  50  33.483  26.452  26.452
  329   2HG2  THR  50          HG22      THR  50  32.414  26.226  26.226
  330   3HG2  THR  50          HG21      THR  50  33.821  25.184  25.184
  331    H    GLY  51           HN       GLY  51  28.772  25.185  25.185
  332   1HA   GLY  51           HA2      GLY  51  28.071  24.435  24.435
  333   2HA   GLY  51           HA1      GLY  51  29.718  23.901  23.901
  334    H    GLN  52           HN       GLN  52  28.495  23.029  23.029
  335    HA   GLN  52           HA       GLN  52  28.537  20.197  20.197
  336   1HB   GLN  52           HB2      GLN  52  28.216  21.717  21.717
  337   2HB   GLN  52           HB1      GLN  52  27.813  20.002  20.002
  338   1HG   GLN  52           HG2      GLN  52  30.317  20.390  20.390
  339   2HG   GLN  52           HG1      GLN  52  30.397  21.189  21.189
  340   1HE2  GLN  52          HE22      GLN  52  31.272  17.913  17.913
  341   2HE2  GLN  52          HE21      GLN  52  31.900  19.429  19.429
  342    H    THR  53           HN       THR  53  26.760  19.065  19.065
  343    HA   THR  53           HA       THR  53  24.115  20.372  20.372
  344    HB   THR  53           HB       THR  53  25.261  18.045  18.045
  345    HG1  THR  53           HG1      THR  53  23.485  20.102  20.102
  346   1HG2  THR  53          HG23      THR  53  23.181  17.180  17.180
  347   2HG2  THR  53          HG22      THR  53  22.289  18.533  18.533
  348   3HG2  THR  53          HG21      THR  53  23.028  17.325  17.325
  349    H    GLY  54           HN       GLY  54  22.246  18.905  18.905
  350   1HA   GLY  54           HA2      GLY  54  22.839  16.708  16.708
  351   2HA   GLY  54           HA1      GLY  54  22.354  18.176  18.176
  352    H    TYR  55           HN       TYR  55  21.203  15.383  15.383
  353    HA   TYR  55           HA       TYR  55  18.715  16.331  16.331
  354   1HB   TYR  55           HB2      TYR  55  19.038  13.595  13.595
  355   2HB   TYR  55           HB1      TYR  55  18.172  14.072  14.072
  356    HD1  TYR  55           HD1      TYR  55  19.961  15.521  15.521
  357    HD2  TYR  55           HD2      TYR  55  20.902  12.271  12.271
  358    HE1  TYR  55           HE1      TYR  55  21.956  15.036  15.036
  359    HE2  TYR  55           HE2      TYR  55  22.894  11.784  11.784
  360    HH   TYR  55           HH       TYR  55  23.523  13.416  13.416
  361    H    ILE  56           HN       ILE  56  17.178  17.320  17.320
  362    HA   ILE  56           HA       ILE  56  17.002  16.658  16.658
  363    HB   ILE  56           HB       ILE  56  15.586  18.660  18.660
  364   1HG1  ILE  56          HG12      ILE  56  16.081  19.415  19.415
  365   2HG1  ILE  56          HG11      ILE  56  14.877  18.155  18.155
  366   1HG2  ILE  56          HG22      ILE  56  18.217  18.843  18.843
  367   2HG2  ILE  56          HG21      ILE  56  17.324  20.306  20.306
  368   3HG2  ILE  56          HG23      ILE  56  17.864  19.211  19.211
  369   1HD1  ILE  56          HD13      ILE  56  14.208  19.966  19.966
  370   2HD1  ILE  56          HD12      ILE  56  14.768  21.029  21.029
  371   3HD1  ILE  56          HD11      ILE  56  13.453  19.893  19.893
  372    HA   PRO  57           HA       PRO  57  13.480  14.102  14.102
  373   1HB   PRO  57           HB2      PRO  57  12.250  15.037  15.037
  374   2HB   PRO  57           HB1      PRO  57  13.170  13.548  13.548
  375   1HG   PRO  57           HG2      PRO  57  13.989  15.922  15.922
  376   2HG   PRO  57           HG1      PRO  57  14.905  14.428  14.428
  377   1HD   PRO  57           HD1      PRO  57  15.354  16.993  16.993
  378   2HD   PRO  57           HD2      PRO  57  16.274  15.493  15.493
  379    H    SER  58           HN       SER  58  11.261  14.298  14.298
  380    HA   SER  58           HA       SER  58  10.444  17.055  17.055
  381   1HB   SER  58           HB2      SER  58   9.461  16.074  16.074
  382   2HB   SER  58           HB1      SER  58  10.141  14.541  14.541
  383    HG   SER  58           HG       SER  58   8.242  13.936  13.936
  384    H    ASN  59           HN       ASN  59  10.289  15.579  15.579
  385    HA   ASN  59           HA       ASN  59   7.462  16.410  16.410
  386   1HB   ASN  59           HB2      ASN  59   8.840  14.319  14.319
  387   2HB   ASN  59           HB1      ASN  59   7.114  14.575  14.575
  388   1HD2  ASN  59          HD22      ASN  59   9.257  12.349  12.349
  389   2HD2  ASN  59          HD21      ASN  59  10.058  13.234  13.234
  390    H    TYR  60           HN       TYR  60  10.719  16.965  16.965
  391    HA   TYR  60           HA       TYR  60  10.089  18.153  18.153
  392   1HB   TYR  60           HB2      TYR  60  12.768  17.441  17.441
  393   2HB   TYR  60           HB1      TYR  60  12.543  18.150  18.150
  394    HD1  TYR  60           HD1      TYR  60   9.758  16.304  16.304
  395    HD2  TYR  60           HD2      TYR  60  13.955  15.618  15.618
  396    HE1  TYR  60           HE1      TYR  60   9.411  14.081  14.081
  397    HE2  TYR  60           HE2      TYR  60  13.607  13.390  13.390
  398    HH   TYR  60           HH       TYR  60  11.175  11.710  11.710
  399    H    VAL  61           HN       VAL  61  10.005  19.126  19.126
  400    HA   VAL  61           HA       VAL  61  10.960  21.852  21.852
  401    HB   VAL  61           HB       VAL  61  12.796  21.152  21.152
  402   1HG1  VAL  61          HG11      VAL  61  10.851  19.308  19.308
  403   2HG1  VAL  61          HG13      VAL  61  11.798  20.046  20.046
  404   3HG1  VAL  61          HG12      VAL  61  12.610  19.183  19.183
  405   1HG2  VAL  61          HG23      VAL  61  10.833  22.285  22.285
  406   2HG2  VAL  61          HG22      VAL  61  11.856  23.228  23.228
  407   3HG2  VAL  61          HG21      VAL  61  12.585  22.251  22.251
  408    H    ALA  62           HN       ALA  62  10.111  23.482  23.482
  409    HA   ALA  62           HA       ALA  62   7.743  22.697  22.697
  410   1HB   ALA  62           HB3      ALA  62   7.073  23.026  23.026
  411   2HB   ALA  62           HB2      ALA  62   7.330  24.741  24.741
  412   3HB   ALA  62           HB1      ALA  62   6.117  23.847  23.847
  413    HA   PRO  63           HA       PRO  63   8.942  26.105  26.105
  414   1HB   PRO  63           HB2      PRO  63   6.265  27.091  27.091
  415   2HB   PRO  63           HB1      PRO  63   7.254  26.124  26.124
  416   1HG   PRO  63           HG2      PRO  63   4.955  25.268  25.268
  417   2HG   PRO  63           HG1      PRO  63   5.953  24.297  24.297
  418   1HD   PRO  63           HD1      PRO  63   5.856  24.192  24.192
  419   2HD   PRO  63           HD2      PRO  63   6.853  23.212  23.212
  420    H    SER  64           HN       SER  64   9.321  28.352  28.352
  421    HA   SER  64           HA       SER  64   8.093  29.615  29.615
  422   1HB   SER  64           HB2      SER  64  10.733  29.087  29.087
  423   2HB   SER  64           HB1      SER  64  10.648  30.691  30.691
  424    HG   SER  64           HG       SER  64   9.357  30.239  30.239
  425   1H    ALA  71           HT2      ALA  71   6.469  11.578  11.578
  426   2H    ALA  71           HT1      ALA  71   4.799  11.781  11.781
  427   3H    ALA  71           HT3      ALA  71   5.424  11.626  11.626
  428    HA   ALA  71           HA       ALA  71   4.905  13.919  13.919
  429   1HB   ALA  71           HB3      ALA  71   5.181  13.608  13.608
  430   2HB   ALA  71           HB2      ALA  71   6.907  13.844  13.844
  431   3HB   ALA  71           HB1      ALA  71   5.766  15.126  15.126
  432    H    PHE  72           HN       PHE  72   7.169  11.947  11.947
  433    HA   PHE  72           HA       PHE  72   9.166  14.084  14.084
  434   1HB   PHE  72           HB2      PHE  72   9.776  11.780  11.780
  435   2HB   PHE  72           HB1      PHE  72   9.692  11.175  11.175
  436    HD1  PHE  72           HD2      PHE  72  10.846  14.485  14.485
  437    HD2  PHE  72           HD1      PHE  72  11.930  10.893  10.893
  438    HE1  PHE  72           HE2      PHE  72  13.076  15.409  15.409
  439    HE2  PHE  72           HE1      PHE  72  14.159  11.820  11.820
  440    HZ   PHE  72           HZ       PHE  72  14.735  14.078  14.078
  441    H    ALA  73           HN       ALA  73   9.838  14.324  14.324
  442    HA   ALA  73           HA       ALA  73   7.939  14.304  14.304
  443   1HB   ALA  73           HB2      ALA  73  10.922  14.085  14.085
  444   2HB   ALA  73           HB1      ALA  73  10.054  13.830  13.830
  445   3HB   ALA  73           HB3      ALA  73   9.883  15.355  15.355
  446    HA   PRO  74           HA       PRO  74   6.938  10.221  10.221
  447   1HB   PRO  74           HB2      PRO  74   7.242  10.669  10.669
  448   2HB   PRO  74           HB1      PRO  74   5.747  10.611  10.611
  449   1HG   PRO  74           HG2      PRO  74   7.025  12.934  12.934
  450   2HG   PRO  74           HG1      PRO  74   5.534  12.877  12.877
  451   1HD   PRO  74           HD1      PRO  74   8.109  13.886  13.886
  452   2HD   PRO  74           HD2      PRO  74   6.616  13.812  13.812
  453    HA   PRO  75           HA       PRO  75  10.698   8.029   8.029
  454   1HB   PRO  75           HB2      PRO  75   9.445   5.875   5.875
  455   2HB   PRO  75           HB1      PRO  75   9.928   5.910   5.910
  456   1HG   PRO  75           HG2      PRO  75   7.253   6.017   6.017
  457   2HG   PRO  75           HG1      PRO  75   7.738   6.068   6.068
  458   1HD   PRO  75           HD1      PRO  75   6.721   8.232   8.232
  459   2HD   PRO  75           HD2      PRO  75   7.200   8.281   8.281
  460    H    LEU  76           HN       LEU  76  12.161   8.681   8.681
  461    HA   LEU  76           HA       LEU  76  11.596   9.583   9.583
  462   1HB   LEU  76           HB2      LEU  76  14.083   8.348   8.348
  463   2HB   LEU  76           HB1      LEU  76  14.043   8.934   8.934
  464    HG   LEU  76           HG       LEU  76  13.165  10.660  10.660
  465   1HD1  LEU  76          HD12      LEU  76  15.928  10.458  10.458
  466   2HD1  LEU  76          HD11      LEU  76  15.425  11.659  11.659
  467   3HD1  LEU  76          HD13      LEU  76  15.498   9.954   9.954
  468   1HD2  LEU  76          HD23      LEU  76  13.512  10.934  10.934
  469   2HD2  LEU  76          HD22      LEU  76  12.525  11.887  11.887
  470   3HD2  LEU  76          HD21      LEU  76  14.245  12.240  12.240
  471    HA   PRO  77           HA       PRO  77  10.351   5.819   5.819
  472   1HB   PRO  77           HB2      PRO  77  10.835   6.999   6.999
  473   2HB   PRO  77           HB1      PRO  77   9.283   6.761   6.761
  474   1HG   PRO  77           HG2      PRO  77  10.706   9.244   9.244
  475   2HG   PRO  77           HG1      PRO  77   9.142   9.008   9.008
  476   1HD   PRO  77           HD1      PRO  77  11.669   9.649   9.649
  477   2HD   PRO  77           HD2      PRO  77  10.102   9.402   9.402
  478    H    ARG  78           HN       ARG  78  11.593   4.060   4.060
  479    HA   ARG  78           HA       ARG  78  14.403   4.097   4.097
  480   1HB   ARG  78           HB2      ARG  78  12.390   2.156   2.156
  481   2HB   ARG  78           HB1      ARG  78  13.406   2.027   2.027
  482   1HG   ARG  78           HG2      ARG  78  14.959   2.379   2.379
  483   2HG   ARG  78           HG1      ARG  78  13.972   0.917   0.917
  484   1HD   ARG  78           HD2      ARG  78  15.077  -0.017  -0.017
  485   2HD   ARG  78           HD1      ARG  78  15.527   1.553   1.553
  486    HE   ARG  78           HE       ARG  78  16.918   1.349   1.349
  487   1HH1  ARG  78          HH21      ARG  78  16.622  -0.407  -0.407
  488   2HH1  ARG  78          HH22      ARG  78  18.243  -1.013  -1.013
  489   1HH2  ARG  78          HH11      ARG  78  19.033   0.565   0.565
  490   2HH2  ARG  78          HH12      ARG  78  19.607  -0.465  -0.465
  491    H    ARG  79           HN       ARG  79  15.344   5.644   5.644
  492    HA   ARG  79           HA       ARG  79  14.613   6.442   6.442
  493   1HB   ARG  79           HB2      ARG  79  16.708   7.036   7.036
  494   2HB   ARG  79           HB1      ARG  79  17.525   5.960   5.960
  495   1HG   ARG  79           HG2      ARG  79  16.679   7.303   7.303
  496   2HG   ARG  79           HG1      ARG  79  15.850   8.374   8.374
  497   1HD   ARG  79           HD2      ARG  79  17.906   9.178   9.178
  498   2HD   ARG  79           HD1      ARG  79  18.831   7.884   7.884
  499    HE   ARG  79           HE       ARG  79  17.432   9.574   9.574
  500   1HH1  ARG  79          HH21      ARG  79  20.239   9.133   9.133
  501   2HH1  ARG  79          HH22      ARG  79  21.261  10.087  10.087
  502   1HH2  ARG  79          HH11      ARG  79  18.752  10.821  10.821
  503   2HH2  ARG  79          HH12      ARG  79  20.421  11.041  11.041

  Start of MODEL   11
    1   1H    THR   9           HT2      THR   9  12.519  29.691  29.691
    2   2H    THR   9           HT1      THR   9  12.675  30.843  30.843
    3   3H    THR   9           HT3      THR   9  13.814  30.790  30.790
    4    HA   THR   9           HA       THR   9  14.607  28.652  28.652
    5    HB   THR   9           HB       THR   9  14.586  29.986  29.986
    6    HG1  THR   9           HG1      THR   9  15.824  31.778  31.778
    7   1HG2  THR   9          HG22      THR   9  16.300  28.430  28.430
    8   2HG2  THR   9          HG21      THR   9  16.989  30.037  30.037
    9   3HG2  THR   9          HG23      THR   9  16.774  29.393  29.393
   10    H    PHE  10           HN       PHE  10  14.589  27.116  27.116
   11    HA   PHE  10           HA       PHE  10  11.759  26.697  26.697
   12   1HB   PHE  10           HB2      PHE  10  13.903  24.851  24.851
   13   2HB   PHE  10           HB1      PHE  10  12.885  24.278  24.278
   14    HD1  PHE  10           HD2      PHE  10  11.829  26.608  26.608
   15    HD2  PHE  10           HD1      PHE  10  11.584  22.630  22.630
   16    HE1  PHE  10           HE2      PHE  10  10.029  26.115  26.115
   17    HE2  PHE  10           HE1      PHE  10   9.786  22.140  22.140
   18    HZ   PHE  10           HZ       PHE  10   9.006  23.881  23.881
   19    H    VAL  11           HN       VAL  11  11.440  25.929  25.929
   20    HA   VAL  11           HA       VAL  11  13.723  26.613  26.613
   21    HB   VAL  11           HB       VAL  11  10.733  26.859  26.859
   22   1HG1  VAL  11          HG12      VAL  11  13.079  26.892  26.892
   23   2HG1  VAL  11          HG11      VAL  11  11.827  28.103  28.103
   24   3HG1  VAL  11          HG13      VAL  11  11.417  26.387  26.387
   25   1HG2  VAL  11          HG21      VAL  11  11.881  28.608  28.608
   26   2HG2  VAL  11          HG23      VAL  11  11.156  29.238  29.238
   27   3HG2  VAL  11          HG22      VAL  11  12.898  28.981  28.981
   28    H    ALA  12           HN       ALA  12  13.965  25.271  25.271
   29    HA   ALA  12           HA       ALA  12  13.097  22.490  22.490
   30   1HB   ALA  12           HB3      ALA  12  15.098  23.812  23.812
   31   2HB   ALA  12           HB2      ALA  12  14.565  22.162  22.162
   32   3HB   ALA  12           HB1      ALA  12  15.356  22.548  22.548
   33    H    LEU  13           HN       LEU  13  11.014  22.154  22.154
   34    HA   LEU  13           HA       LEU  13   9.849  23.514  23.514
   35   1HB   LEU  13           HB2      LEU  13   8.991  21.007  21.007
   36   2HB   LEU  13           HB1      LEU  13   8.010  21.848  21.848
   37    HG   LEU  13           HG       LEU  13   9.118  23.238  23.238
   38   1HD1  LEU  13          HD12      LEU  13   6.827  21.394  21.394
   39   2HD1  LEU  13          HD11      LEU  13   6.441  22.936  22.936
   40   3HD1  LEU  13          HD13      LEU  13   7.694  21.899  21.899
   41   1HD2  LEU  13          HD22      LEU  13   6.902  23.856  23.856
   42   2HD2  LEU  13          HD21      LEU  13   8.433  24.716  24.716
   43   3HD2  LEU  13          HD23      LEU  13   7.226  24.800  24.800
   44    H    TYR  14           HN       TYR  14  11.968  20.851  20.851
   45    HA   TYR  14           HA       TYR  14  11.797  20.387  20.387
   46   1HB   TYR  14           HB2      TYR  14  11.465  18.085  18.085
   47   2HB   TYR  14           HB1      TYR  14  11.428  18.000  18.000
   48    HD1  TYR  14           HD2      TYR  14   9.619  19.224  19.224
   49    HD2  TYR  14           HD1      TYR  14   9.465  18.698  18.698
   50    HE1  TYR  14           HE2      TYR  14   7.230  19.773  19.773
   51    HE2  TYR  14           HE1      TYR  14   7.069  19.228  19.228
   52    HH   TYR  14           HH       TYR  14   5.151  19.008  19.008
   53    H    ASP  15           HN       ASP  15  13.736  19.444  19.444
   54    HA   ASP  15           HA       ASP  15  16.091  19.914  19.914
   55   1HB   ASP  15           HB2      ASP  15  17.211  18.740  18.740
   56   2HB   ASP  15           HB1      ASP  15  16.375  20.259  20.259
   57    H    TYR  16           HN       TYR  16  16.909  18.531  18.531
   58    HA   TYR  16           HA       TYR  16  16.148  15.655  15.655
   59   1HB   TYR  16           HB2      TYR  16  15.583  16.602  16.602
   60   2HB   TYR  16           HB1      TYR  16  17.166  17.366  17.366
   61    HD1  TYR  16           HD2      TYR  16  16.041  13.904  13.904
   62    HD2  TYR  16           HD1      TYR  16  18.435  16.302  16.302
   63    HE1  TYR  16           HE2      TYR  16  16.914  11.881  11.881
   64    HE2  TYR  16           HE1      TYR  16  19.310  14.274  14.274
   65    HH   TYR  16           HH       TYR  16  19.620  11.834  11.834
   66    H    GLU  17           HN       GLU  17  17.665  14.347  14.347
   67    HA   GLU  17           HA       GLU  17  20.488  15.243  15.243
   68   1HB   GLU  17           HB2      GLU  17  18.874  13.890  13.890
   69   2HB   GLU  17           HB1      GLU  17  19.904  12.620  12.620
   70   1HG   GLU  17           HG2      GLU  17  21.863  14.244  14.244
   71   2HG   GLU  17           HG1      GLU  17  20.736  15.169  15.169
   72    H    SER  18           HN       SER  18  21.049  14.896  14.896
   73    HA   SER  18           HA       SER  18  20.550  12.653  12.653
   74   1HB   SER  18           HB2      SER  18  22.191  13.459  13.459
   75   2HB   SER  18           HB1      SER  18  22.068  14.865  14.865
   76    HG   SER  18           HG       SER  18  24.139  13.218  13.218
   77    H    ARG  19           HN       ARG  19  21.435  10.579  10.579
   78    HA   ARG  19           HA       ARG  19  23.114   9.751   9.751
   79   1HB   ARG  19           HB2      ARG  19  21.126   8.330   8.330
   80   2HB   ARG  19           HB1      ARG  19  22.368   7.401   7.401
   81   1HG   ARG  19           HG2      ARG  19  21.635   8.202   8.202
   82   2HG   ARG  19           HG1      ARG  19  20.570   9.396   9.396
   83   1HD   ARG  19           HD2      ARG  19  18.909   7.885   7.885
   84   2HD   ARG  19           HD1      ARG  19  19.990   6.721   6.721
   85    HE   ARG  19           HE       ARG  19  20.262   5.667   5.667
   86   1HH1  ARG  19          HH21      ARG  19  18.891   8.825   8.825
   87   2HH1  ARG  19          HH22      ARG  19  18.537   8.655   8.655
   88   1HH2  ARG  19          HH11      ARG  19  19.809   5.439   5.439
   89   2HH2  ARG  19          HH12      ARG  19  19.056   6.742   6.742
   90    H    THR  20           HN       THR  20  23.102  10.101  10.101
   91    HA   THR  20           HA       THR  20  25.709   8.642   8.642
   92    HB   THR  20           HB       THR  20  23.518   9.054   9.054
   93    HG1  THR  20           HG1      THR  20  25.017   6.776   6.776
   94   1HG2  THR  20          HG21      THR  20  26.378   8.203   8.203
   95   2HG2  THR  20          HG23      THR  20  25.061   8.104   8.104
   96   3HG2  THR  20          HG22      THR  20  25.610   9.677   9.677
   97    H    GLU  21           HN       GLU  21  27.213   9.627   9.627
   98    HA   GLU  21           HA       GLU  21  27.659  12.396  12.396
   99   1HB   GLU  21           HB2      GLU  21  29.266  10.444  10.444
  100   2HB   GLU  21           HB1      GLU  21  28.905  11.213  11.213
  101   1HG   GLU  21           HG2      GLU  21  29.394  13.397  13.397
  102   2HG   GLU  21           HG1      GLU  21  30.503  12.215  12.215
  103    H    THR  22           HN       THR  22  26.796  10.873  10.873
  104    HA   THR  22           HA       THR  22  26.473  13.103  13.103
  105    HB   THR  22           HB       THR  22  25.979  11.108  11.108
  106    HG1  THR  22           HG1      THR  22  24.499  12.554  12.554
  107   1HG2  THR  22          HG21      THR  22  24.049  10.534  10.534
  108   2HG2  THR  22          HG23      THR  22  24.184   9.543   9.543
  109   3HG2  THR  22          HG22      THR  22  25.556   9.689   9.689
  110    H    ASP  23           HN       ASP  23  24.047  11.939  11.939
  111    HA   ASP  23           HA       ASP  23  22.351  14.278  14.278
  112   1HB   ASP  23           HB2      ASP  23  21.836  12.589  12.589
  113   2HB   ASP  23           HB1      ASP  23  20.705  13.214  13.214
  114    H    LEU  24           HN       LEU  24  22.512  16.182  16.182
  115    HA   LEU  24           HA       LEU  24  24.440  16.392  16.392
  116   1HB   LEU  24           HB2      LEU  24  23.266  18.211  18.211
  117   2HB   LEU  24           HB1      LEU  24  23.382  18.910  18.910
  118    HG   LEU  24           HG       LEU  24  25.741  18.516  18.516
  119   1HD1  LEU  24          HD13      LEU  24  25.120  16.621  16.621
  120   2HD1  LEU  24          HD12      LEU  24  26.695  17.414  17.414
  121   3HD1  LEU  24          HD11      LEU  24  26.236  16.438  16.438
  122   1HD2  LEU  24          HD23      LEU  24  24.956  19.451  19.451
  123   2HD2  LEU  24          HD22      LEU  24  25.147  20.463  20.463
  124   3HD2  LEU  24          HD21      LEU  24  26.553  19.675  19.675
  125    H    SER  25           HN       SER  25  23.750  17.809  17.809
  126    HA   SER  25           HA       SER  25  20.975  17.058  17.058
  127   1HB   SER  25           HB2      SER  25  22.538  17.924  17.924
  128   2HB   SER  25           HB1      SER  25  21.929  16.305  16.305
  129    HG   SER  25           HG       SER  25  24.028  15.956  15.956
  130    H    PHE  26           HN       PHE  26  19.601  18.690  18.690
  131    HA   PHE  26           HA       PHE  26  20.748  21.431  21.431
  132   1HB   PHE  26           HB2      PHE  26  18.765  22.311  22.311
  133   2HB   PHE  26           HB1      PHE  26  19.879  21.361  21.361
  134    HD1  PHE  26           HD2      PHE  26  16.595  21.360  21.360
  135    HD2  PHE  26           HD1      PHE  26  19.214  19.187  19.187
  136    HE1  PHE  26           HE2      PHE  26  14.753  19.851  19.851
  137    HE2  PHE  26           HE1      PHE  26  17.369  17.682  17.682
  138    HZ   PHE  26           HZ       PHE  26  15.140  18.009  18.009
  139    H    LYS  27           HN       LYS  27  20.156  22.212  22.212
  140    HA   LYS  27           HA       LYS  27  18.105  20.963  20.963
  141   1HB   LYS  27           HB2      LYS  27  19.527  23.622  23.622
  142   2HB   LYS  27           HB1      LYS  27  18.552  22.818  22.818
  143   1HG   LYS  27           HG2      LYS  27  20.229  21.392  21.392
  144   2HG   LYS  27           HG1      LYS  27  20.568  21.045  21.045
  145   1HD   LYS  27           HD2      LYS  27  21.353  23.757  23.757
  146   2HD   LYS  27           HD1      LYS  27  22.126  22.609  22.609
  147   1HE   LYS  27           HE2      LYS  27  23.191  21.462  21.462
  148   2HE   LYS  27           HE1      LYS  27  22.070  22.084  22.084
  149   1HZ   LYS  27           HZ2      LYS  27  23.890  23.857  23.857
  150   2HZ   LYS  27           HZ1      LYS  27  24.361  23.113  23.113
  151   3HZ   LYS  27           HZ3      LYS  27  23.049  24.191  24.191
  152    H    LYS  28           HN       LYS  28  16.270  22.333  22.333
  153    HA   LYS  28           HA       LYS  28  14.564  23.242  23.242
  154   1HB   LYS  28           HB2      LYS  28  13.557  22.402  22.402
  155   2HB   LYS  28           HB1      LYS  28  14.416  23.584  23.584
  156   1HG   LYS  28           HG2      LYS  28  13.007  25.306  25.306
  157   2HG   LYS  28           HG1      LYS  28  12.706  24.645  24.645
  158   1HD   LYS  28           HD2      LYS  28  10.907  23.452  23.452
  159   2HD   LYS  28           HD1      LYS  28  11.717  22.938  22.938
  160   1HE   LYS  28           HE2      LYS  28  11.360  25.630  25.630
  161   2HE   LYS  28           HE1      LYS  28   9.905  25.216  25.216
  162   1HZ   LYS  28           HZ1      LYS  28  10.227  23.155  23.155
  163   2HZ   LYS  28           HZ3      LYS  28  10.624  24.533  24.533
  164   3HZ   LYS  28           HZ2      LYS  28   9.115  24.432  24.432
  165    H    GLY  29           HN       GLY  29  14.121  25.316  25.316
  166   1HA   GLY  29           HA2      GLY  29  14.188  27.720  27.720
  167   2HA   GLY  29           HA1      GLY  29  15.385  27.616  27.616
  168    H    GLU  30           HN       GLU  30  16.231  25.423  25.423
  169    HA   GLU  30           HA       GLU  30  18.360  27.228  27.228
  170   1HB   GLU  30           HB2      GLU  30  18.762  24.819  24.819
  171   2HB   GLU  30           HB1      GLU  30  17.956  24.319  24.319
  172   1HG   GLU  30           HG2      GLU  30  19.914  24.574  24.574
  173   2HG   GLU  30           HG1      GLU  30  19.821  26.304  26.304
  174    H    ARG  31           HN       ARG  31  18.701  27.631  27.631
  175    HA   ARG  31           HA       ARG  31  16.243  27.229  27.229
  176   1HB   ARG  31           HB2      ARG  31  18.390  29.360  29.360
  177   2HB   ARG  31           HB1      ARG  31  16.970  29.225  29.225
  178   1HG   ARG  31           HG2      ARG  31  15.488  29.606  29.606
  179   2HG   ARG  31           HG1      ARG  31  16.837  29.541  29.541
  180   1HD   ARG  31           HD2      ARG  31  16.672  31.832  31.832
  181   2HD   ARG  31           HD1      ARG  31  17.767  31.485  31.485
  182    HE   ARG  31           HE       ARG  31  15.166  31.254  31.254
  183   1HH1  ARG  31          HH21      ARG  31  17.169  33.617  33.617
  184   2HH1  ARG  31          HH22      ARG  31  16.431  34.955  34.955
  185   1HH2  ARG  31          HH11      ARG  31  14.197  32.993  32.993
  186   2HH2  ARG  31          HH12      ARG  31  14.751  34.603  34.603
  187    H    LEU  32           HN       LEU  32  16.476  25.847  25.847
  188    HA   LEU  32           HA       LEU  32  19.211  25.498  25.498
  189   1HB   LEU  32           HB2      LEU  32  17.167  23.293  23.293
  190   2HB   LEU  32           HB1      LEU  32  18.807  23.113  23.113
  191    HG   LEU  32           HG       LEU  32  19.196  24.433  24.433
  192   1HD1  LEU  32          HD11      LEU  32  16.690  23.862  23.862
  193   2HD1  LEU  32          HD13      LEU  32  17.249  22.201  22.201
  194   3HD1  LEU  32          HD12      LEU  32  17.828  23.462  23.462
  195   1HD2  LEU  32          HD23      LEU  32  19.785  21.913  21.913
  196   2HD2  LEU  32          HD22      LEU  32  20.657  22.724  22.724
  197   3HD2  LEU  32          HD21      LEU  32  19.338  21.617  21.617
  198    H    GLN  33           HN       GLN  33  19.222  24.999  24.999
  199    HA   GLN  33           HA       GLN  33  16.850  26.055  26.055
  200   1HB   GLN  33           HB2      GLN  33  19.100  26.824  26.824
  201   2HB   GLN  33           HB1      GLN  33  19.548  25.164  25.164
  202   1HG   GLN  33           HG2      GLN  33  17.092  25.689  25.689
  203   2HG   GLN  33           HG1      GLN  33  18.140  27.076  27.076
  204   1HE2  GLN  33          HE22      GLN  33  20.625  25.092  25.092
  205   2HE2  GLN  33          HE21      GLN  33  20.480  26.433  26.433
  206    H    ILE  34           HN       ILE  34  15.594  24.833  24.833
  207    HA   ILE  34           HA       ILE  34  15.827  21.897  21.897
  208    HB   ILE  34           HB       ILE  34  13.647  23.533  23.533
  209   1HG1  ILE  34          HG12      ILE  34  13.807  24.088  24.088
  210   2HG1  ILE  34          HG11      ILE  34  12.397  23.062  23.062
  211   1HG2  ILE  34          HG22      ILE  34  13.738  20.647  20.647
  212   2HG2  ILE  34          HG21      ILE  34  12.329  21.456  21.456
  213   3HG2  ILE  34          HG23      ILE  34  13.758  21.178  21.178
  214   1HD1  ILE  34          HD11      ILE  34  13.791  21.080  21.080
  215   2HD1  ILE  34          HD13      ILE  34  15.110  22.184  22.184
  216   3HD1  ILE  34          HD12      ILE  34  13.606  22.249  22.249
  217    H    VAL  35           HN       VAL  35  16.775  20.696  20.696
  218    HA   VAL  35           HA       VAL  35  17.552  21.930  21.930
  219    HB   VAL  35           HB       VAL  35  17.887  19.094  19.094
  220   1HG1  VAL  35          HG11      VAL  35  18.593  20.463  20.463
  221   2HG1  VAL  35          HG13      VAL  35  19.817  19.402  19.402
  222   3HG1  VAL  35          HG12      VAL  35  18.221  18.765  18.765
  223   1HG2  VAL  35          HG21      VAL  35  19.048  21.018  21.018
  224   2HG2  VAL  35          HG23      VAL  35  20.102  19.745  19.745
  225   3HG2  VAL  35          HG22      VAL  35  19.968  21.276  21.276
  226    H    ASN  36           HN       ASN  36  15.632  19.052  19.052
  227    HA   ASN  36           HA       ASN  36  13.669  19.671  19.671
  228   1HB   ASN  36           HB2      ASN  36  15.878  18.192  18.192
  229   2HB   ASN  36           HB1      ASN  36  14.673  16.956  16.956
  230   1HD2  ASN  36          HD22      ASN  36  13.406  17.557  17.557
  231   2HD2  ASN  36          HD21      ASN  36  14.153  16.445  16.445
  232    H    ASN  37           HN       ASN  37  11.749  18.414  18.414
  233    HA   ASN  37           HA       ASN  37  11.606  16.136  16.136
  234   1HB   ASN  37           HB2      ASN  37  10.559  17.123  17.123
  235   2HB   ASN  37           HB1      ASN  37  12.061  18.001  18.001
  236   1HD2  ASN  37          HD22      ASN  37  10.432  21.052  21.052
  237   2HD2  ASN  37          HD21      ASN  37  11.905  20.209  20.209
  238    H    THR  38           HN       THR  38   9.408  15.331  15.331
  239    HA   THR  38           HA       THR  38   7.111  16.715  16.715
  240    HB   THR  38           HB       THR  38   8.423  16.668  16.668
  241    HG1  THR  38           HG1      THR  38   6.232  14.992  14.992
  242   1HG2  THR  38          HG21      THR  38   9.398  14.370  14.370
  243   2HG2  THR  38          HG23      THR  38   7.839  13.703  13.703
  244   3HG2  THR  38          HG22      THR  38   8.816  14.597  14.597
  245    H    GLU  39           HN       GLU  39   8.745  13.562  13.562
  246    HA   GLU  39           HA       GLU  39   6.334  12.417  12.417
  247   1HB   GLU  39           HB2      GLU  39   7.324  11.781  11.781
  248   2HB   GLU  39           HB1      GLU  39   7.357  10.360  10.360
  249   1HG   GLU  39           HG2      GLU  39   5.139  10.149  10.149
  250   2HG   GLU  39           HG1      GLU  39   4.916  11.654  11.654
  251    H    GLY  40           HN       GLY  40   9.767  12.085  12.085
  252   1HA   GLY  40           HA2      GLY  40  10.447   9.851   9.851
  253   2HA   GLY  40           HA1      GLY  40  11.523  11.230  11.230
  254    H    ASP  41           HN       ASP  41  10.550   9.440   9.440
  255    HA   ASP  41           HA       ASP  41   9.370  11.354  11.354
  256   1HB   ASP  41           HB2      ASP  41  10.700   8.664   8.664
  257   2HB   ASP  41           HB1      ASP  41   9.978   9.600   9.600
  258    H    TRP  42           HN       TRP  42  12.402  11.212  11.212
  259    HA   TRP  42           HA       TRP  42  13.552  12.643  12.643
  260   1HB   TRP  42           HB2      TRP  42  14.709  10.351  10.351
  261   2HB   TRP  42           HB1      TRP  42  15.794  11.567  11.567
  262    HD1  TRP  42           HD1      TRP  42  13.517   8.666   8.666
  263    HE1  TRP  42           HE1      TRP  42  13.788   8.388   8.388
  264    HE3  TRP  42           HE3      TRP  42  16.194  12.722  12.722
  265    HZ2  TRP  42           HZ2      TRP  42  15.053   9.824   9.824
  266    HZ3  TRP  42           HZ3      TRP  42  16.961  13.304  13.304
  267    HH2  TRP  42           HH2      TRP  42  16.390  11.856  11.856
  268    H    TRP  43           HN       TRP  43  13.753  14.707  14.707
  269    HA   TRP  43           HA       TRP  43  14.349  15.206  15.206
  270   1HB   TRP  43           HB2      TRP  43  13.938  17.182  17.182
  271   2HB   TRP  43           HB1      TRP  43  13.957  17.554  17.554
  272    HD1  TRP  43           HD1      TRP  43  12.200  14.618  14.618
  273    HE1  TRP  43           HE1      TRP  43   9.714  14.924  14.924
  274    HE3  TRP  43           HE3      TRP  43  12.292  18.866  18.866
  275    HZ2  TRP  43           HZ2      TRP  43   7.893  16.858  16.858
  276    HZ3  TRP  43           HZ3      TRP  43  10.244  19.972  19.972
  277    HH2  TRP  43           HH2      TRP  43   8.045  18.970  18.970
  278    H    LEU  44           HN       LEU  44  16.090  16.872  16.872
  279    HA   LEU  44           HA       LEU  44  18.444  16.423  16.423
  280   1HB   LEU  44           HB2      LEU  44  18.506  15.349  15.349
  281   2HB   LEU  44           HB1      LEU  44  18.554  16.985  16.985
  282    HG   LEU  44           HG       LEU  44  20.569  17.405  17.405
  283   1HD1  LEU  44          HD13      LEU  44  20.377  14.395  14.395
  284   2HD1  LEU  44          HD12      LEU  44  21.760  15.366  15.366
  285   3HD1  LEU  44          HD11      LEU  44  20.205  15.579  15.579
  286   1HD2  LEU  44          HD23      LEU  44  20.393  15.669  15.669
  287   2HD2  LEU  44          HD22      LEU  44  21.384  17.101  17.101
  288   3HD2  LEU  44          HD21      LEU  44  21.907  15.534  15.534
  289    H    ALA  45           HN       ALA  45  18.697  18.313  18.313
  290    HA   ALA  45           HA       ALA  45  18.215  20.881  20.881
  291   1HB   ALA  45           HB2      ALA  45  18.095  20.007  20.007
  292   2HB   ALA  45           HB1      ALA  45  18.644  21.655  21.655
  293   3HB   ALA  45           HB3      ALA  45  17.060  21.135  21.135
  294    H    HIS  46           HN       HIS  46  19.802  22.609  22.609
  295    HA   HIS  46           HA       HIS  46  22.562  21.587  21.587
  296   1HB   HIS  46           HB2      HIS  46  22.485  21.879  21.879
  297   2HB   HIS  46           HB1      HIS  46  21.517  23.346  23.346
  298    HD1  HIS  46           HD1      HIS  46  24.977  22.241  22.241
  299    HD2  HIS  46           HD2      HIS  46  22.970  25.673  25.673
  300    HE1  HIS  46           HE1      HIS  46  26.681  23.989  23.989
  301    H    SER  47           HN       SER  47  23.722  22.819  22.819
  302    HA   SER  47           HA       SER  47  22.383  25.136  25.136
  303   1HB   SER  47           HB2      SER  47  25.061  23.842  23.842
  304   2HB   SER  47           HB1      SER  47  24.284  25.089  25.089
  305    HG   SER  47           HG       SER  47  23.960  22.543  22.543
  306    H    LEU  48           HN       LEU  48  23.946  27.076  27.076
  307    HA   LEU  48           HA       LEU  48  25.343  27.766  27.766
  308   1HB   LEU  48           HB2      LEU  48  24.133  29.699  29.699
  309   2HB   LEU  48           HB1      LEU  48  24.727  30.067  30.067
  310    HG   LEU  48           HG       LEU  48  22.404  28.218  28.218
  311   1HD1  LEU  48          HD13      LEU  48  22.608  31.120  31.120
  312   2HD1  LEU  48          HD12      LEU  48  21.479  30.375  30.375
  313   3HD1  LEU  48          HD11      LEU  48  21.261  30.155  30.155
  314   1HD2  LEU  48          HD21      LEU  48  23.858  27.864  27.864
  315   2HD2  LEU  48          HD23      LEU  48  22.118  28.029  28.029
  316   3HD2  LEU  48          HD22      LEU  48  23.186  29.396  29.396
  317    H    THR  49           HN       THR  49  25.366  28.830  28.830
  318    HA   THR  49           HA       THR  49  27.918  29.902  29.902
  319    HB   THR  49           HB       THR  49  26.765  28.074  28.074
  320    HG1  THR  49           HG1      THR  49  25.236  29.503  29.503
  321   1HG2  THR  49          HG21      THR  49  29.122  29.728  29.728
  322   2HG2  THR  49          HG23      THR  49  28.053  30.345  30.345
  323   3HG2  THR  49          HG22      THR  49  28.612  28.674  28.674
  324    H    THR  50           HN       THR  50  27.299  26.519  26.519
  325    HA   THR  50           HA       THR  50  30.111  25.866  25.866
  326    HB   THR  50           HB       THR  50  27.929  23.965  23.965
  327    HG1  THR  50           HG1      THR  50  29.307  25.963  25.963
  328   1HG2  THR  50          HG21      THR  50  30.949  23.994  23.994
  329   2HG2  THR  50          HG23      THR  50  29.936  22.856  22.856
  330   3HG2  THR  50          HG22      THR  50  29.940  22.843  22.843
  331    H    GLY  51           HN       GLY  51  27.189  25.909  25.909
  332   1HA   GLY  51           HA2      GLY  51  26.605  25.084  25.084
  333   2HA   GLY  51           HA1      GLY  51  28.327  24.801  24.801
  334    H    GLN  52           HN       GLN  52  28.442  22.710  22.710
  335    HA   GLN  52           HA       GLN  52  28.283  20.371  20.371
  336   1HB   GLN  52           HB2      GLN  52  27.780  21.052  21.052
  337   2HB   GLN  52           HB1      GLN  52  27.780  19.386  19.386
  338   1HG   GLN  52           HG2      GLN  52  30.071  21.233  21.233
  339   2HG   GLN  52           HG1      GLN  52  30.015  20.384  20.384
  340   1HE2  GLN  52          HE22      GLN  52  31.329  18.393  18.393
  341   2HE2  GLN  52          HE21      GLN  52  31.247  20.085  20.085
  342    H    THR  53           HN       THR  53  26.650  18.622  18.622
  343    HA   THR  53           HA       THR  53  23.880  19.749  19.749
  344    HB   THR  53           HB       THR  53  25.198  17.477  17.477
  345    HG1  THR  53           HG1      THR  53  23.837  19.861  19.861
  346   1HG2  THR  53          HG22      THR  53  22.239  18.089  18.089
  347   2HG2  THR  53          HG21      THR  53  22.952  16.953  16.953
  348   3HG2  THR  53          HG23      THR  53  23.051  16.638  16.638
  349    H    GLY  54           HN       GLY  54  22.161  18.093  18.093
  350   1HA   GLY  54           HA2      GLY  54  22.974  15.879  15.879
  351   2HA   GLY  54           HA1      GLY  54  22.414  17.259  17.259
  352    H    TYR  55           HN       TYR  55  21.376  14.408  14.408
  353    HA   TYR  55           HA       TYR  55  18.842  15.066  15.066
  354   1HB   TYR  55           HB2      TYR  55  19.986  12.601  12.601
  355   2HB   TYR  55           HB1      TYR  55  18.309  12.650  12.650
  356    HD1  TYR  55           HD2      TYR  55  17.789  13.030  13.030
  357    HD2  TYR  55           HD1      TYR  55  21.777  12.437  12.437
  358    HE1  TYR  55           HE2      TYR  55  18.490  12.509  12.509
  359    HE2  TYR  55           HE1      TYR  55  22.479  11.914  11.914
  360    HH   TYR  55           HH       TYR  55  20.150  11.612  11.612
  361    H    ILE  56           HN       ILE  56  17.708  16.546  16.546
  362    HA   ILE  56           HA       ILE  56  17.361  15.972  15.972
  363    HB   ILE  56           HB       ILE  56  15.943  18.000  18.000
  364   1HG1  ILE  56          HG12      ILE  56  16.521  18.074  18.074
  365   2HG1  ILE  56          HG11      ILE  56  14.980  17.570  17.570
  366   1HG2  ILE  56          HG21      ILE  56  18.441  18.163  18.163
  367   2HG2  ILE  56          HG23      ILE  56  18.475  18.370  18.370
  368   3HG2  ILE  56          HG22      ILE  56  17.694  19.582  19.582
  369   1HD1  ILE  56          HD12      ILE  56  15.931  20.116  20.116
  370   2HD1  ILE  56          HD11      ILE  56  15.681  20.176  20.176
  371   3HD1  ILE  56          HD13      ILE  56  14.355  19.707  19.707
  372    HA   PRO  57           HA       PRO  57  13.857  13.361  13.361
  373   1HB   PRO  57           HB2      PRO  57  12.691  14.254  14.254
  374   2HB   PRO  57           HB1      PRO  57  13.610  12.773  12.773
  375   1HG   PRO  57           HG2      PRO  57  14.461  15.132  15.132
  376   2HG   PRO  57           HG1      PRO  57  15.367  13.638  13.638
  377   1HD   PRO  57           HD1      PRO  57  15.801  16.212  16.212
  378   2HD   PRO  57           HD2      PRO  57  16.702  14.711  14.711
  379    H    SER  58           HN       SER  58  11.638  13.567  13.567
  380    HA   SER  58           HA       SER  58  10.795  16.307  16.307
  381   1HB   SER  58           HB2      SER  58   9.530  15.325  15.325
  382   2HB   SER  58           HB1      SER  58  10.521  13.907  13.907
  383    HG   SER  58           HG       SER  58   8.328  13.386  13.386
  384    H    ASN  59           HN       ASN  59  10.851  15.601  15.601
  385    HA   ASN  59           HA       ASN  59   8.033  16.247  16.247
  386   1HB   ASN  59           HB2      ASN  59   9.109  13.627  13.627
  387   2HB   ASN  59           HB1      ASN  59   8.896  14.342  14.342
  388   1HD2  ASN  59          HD22      ASN  59   5.296  14.915  14.915
  389   2HD2  ASN  59          HD21      ASN  59   6.621  15.859  15.859
  390    H    TYR  60           HN       TYR  60  10.983  17.282  17.282
  391    HA   TYR  60           HA       TYR  60  10.699  18.218  18.218
  392   1HB   TYR  60           HB2      TYR  60  13.141  17.207  17.207
  393   2HB   TYR  60           HB1      TYR  60  13.298  18.342  18.342
  394    HD1  TYR  60           HD1      TYR  60  11.330  15.239  15.239
  395    HD2  TYR  60           HD2      TYR  60  13.616  17.375  17.375
  396    HE1  TYR  60           HE1      TYR  60  11.054  13.393  13.393
  397    HE2  TYR  60           HE2      TYR  60  13.344  15.525  15.525
  398    HH   TYR  60           HH       TYR  60  11.177  13.405  13.405
  399    H    VAL  61           HN       VAL  61  10.365  19.190  19.190
  400    HA   VAL  61           HA       VAL  61  11.300  21.936  21.936
  401    HB   VAL  61           HB       VAL  61  13.114  21.271  21.271
  402   1HG1  VAL  61          HG11      VAL  61  11.231  19.326  19.326
  403   2HG1  VAL  61          HG13      VAL  61  11.978  20.121  20.121
  404   3HG1  VAL  61          HG12      VAL  61  12.986  19.329  19.329
  405   1HG2  VAL  61          HG22      VAL  61  12.073  23.315  23.315
  406   2HG2  VAL  61          HG21      VAL  61  12.808  22.361  22.361
  407   3HG2  VAL  61          HG23      VAL  61  11.061  22.333  22.333
  408    H    ALA  62           HN       ALA  62  10.332  23.516  23.516
  409    HA   ALA  62           HA       ALA  62   7.959  22.604  22.604
  410   1HB   ALA  62           HB2      ALA  62   7.786  23.942  23.942
  411   2HB   ALA  62           HB1      ALA  62   6.633  24.438  24.438
  412   3HB   ALA  62           HB3      ALA  62   6.709  22.752  22.752
  413    HA   PRO  63           HA       PRO  63   8.940  26.072  26.072
  414   1HB   PRO  63           HB2      PRO  63   6.193  26.731  26.731
  415   2HB   PRO  63           HB1      PRO  63   7.331  25.855  25.855
  416   1HG   PRO  63           HG2      PRO  63   5.078  24.783  24.783
  417   2HG   PRO  63           HG1      PRO  63   6.216  23.908  23.908
  418   1HD   PRO  63           HD1      PRO  63   6.025  23.842  23.842
  419   2HD   PRO  63           HD2      PRO  63   7.166  22.964  22.964
  420    H    SER  64           HN       SER  64   9.690  27.624  27.624
  421    HA   SER  64           HA       SER  64   8.085  29.937  29.937
  422   1HB   SER  64           HB2      SER  64   7.618  29.809  29.809
  423   2HB   SER  64           HB1      SER  64   6.980  28.340  28.340
  424    HG   SER  64           HG       SER  64   8.488  28.326  28.326
  425   1H    ALA  71           HT3      ALA  71   4.698  14.507  14.507
  426   2H    ALA  71           HT2      ALA  71   3.441  15.598  15.598
  427   3H    ALA  71           HT1      ALA  71   3.115  14.164  14.164
  428    HA   ALA  71           HA       ALA  71   3.417  15.238  15.238
  429   1HB   ALA  71           HB2      ALA  71   3.210  17.285  17.285
  430   2HB   ALA  71           HB1      ALA  71   4.783  17.625  17.625
  431   3HB   ALA  71           HB3      ALA  71   3.346  17.515  17.515
  432    H    PHE  72           HN       PHE  72   5.319  13.415  13.415
  433    HA   PHE  72           HA       PHE  72   8.014  14.521  14.521
  434   1HB   PHE  72           HB2      PHE  72   7.307  12.188  12.188
  435   2HB   PHE  72           HB1      PHE  72   7.222  11.738  11.738
  436    HD1  PHE  72           HD1      PHE  72   9.515  13.164  13.164
  437    HD2  PHE  72           HD2      PHE  72   9.208  11.224  11.224
  438    HE1  PHE  72           HE1      PHE  72  11.951  12.856  12.856
  439    HE2  PHE  72           HE2      PHE  72  11.644  10.918  10.918
  440    HZ   PHE  72           HZ       PHE  72  13.018  11.732  11.732
  441    H    ALA  73           HN       ALA  73   9.266  14.911  14.911
  442    HA   ALA  73           HA       ALA  73   8.158  15.649  15.649
  443   1HB   ALA  73           HB1      ALA  73  10.604  15.864  15.864
  444   2HB   ALA  73           HB3      ALA  73  10.837  14.258  14.258
  445   3HB   ALA  73           HB2      ALA  73  10.344  15.598  15.598
  446    HA   PRO  74           HA       PRO  74   6.680  12.037  12.037
  447   1HB   PRO  74           HB2      PRO  74   7.526  12.902  12.902
  448   2HB   PRO  74           HB1      PRO  74   5.903  12.968  12.968
  449   1HG   PRO  74           HG2      PRO  74   7.709  15.169  15.169
  450   2HG   PRO  74           HG1      PRO  74   6.092  15.232  15.232
  451   1HD   PRO  74           HD1      PRO  74   8.630  15.568  15.568
  452   2HD   PRO  74           HD2      PRO  74   7.007  15.644  15.644
  453    HA   PRO  75           HA       PRO  75  10.297   9.504   9.504
  454   1HB   PRO  75           HB2      PRO  75   8.898   7.491   7.491
  455   2HB   PRO  75           HB1      PRO  75   9.276   7.492   7.492
  456   1HG   PRO  75           HG2      PRO  75   6.699   7.893   7.893
  457   2HG   PRO  75           HG1      PRO  75   7.069   7.845   7.845
  458   1HD   PRO  75           HD1      PRO  75   6.393  10.148  10.148
  459   2HD   PRO  75           HD2      PRO  75   6.794  10.104  10.104
  460    H    LEU  76           HN       LEU  76  11.869   9.052   9.052
  461    HA   LEU  76           HA       LEU  76  11.502  10.418  10.418
  462   1HB   LEU  76           HB2      LEU  76  13.757   8.686   8.686
  463   2HB   LEU  76           HB1      LEU  76  13.816   9.571   9.571
  464    HG   LEU  76           HG       LEU  76  13.158  10.972  10.972
  465   1HD1  LEU  76          HD11      LEU  76  15.877  10.309  10.309
  466   2HD1  LEU  76          HD13      LEU  76  15.622  11.621  11.621
  467   3HD1  LEU  76          HD12      LEU  76  15.278   9.956   9.956
  468   1HD2  LEU  76          HD23      LEU  76  12.797  11.987  11.987
  469   2HD2  LEU  76          HD22      LEU  76  13.764  12.937  12.937
  470   3HD2  LEU  76          HD21      LEU  76  14.555  12.005  12.005
  471    HA   PRO  77           HA       PRO  77   9.832   7.053   7.053
  472   1HB   PRO  77           HB2      PRO  77  11.078   7.913   7.913
  473   2HB   PRO  77           HB1      PRO  77   9.406   8.170   8.170
  474   1HG   PRO  77           HG2      PRO  77  11.538  10.118  10.118
  475   2HG   PRO  77           HG1      PRO  77   9.861  10.382  10.382
  476   1HD   PRO  77           HD1      PRO  77  12.209  10.335  10.335
  477   2HD   PRO  77           HD2      PRO  77  10.525  10.600  10.600
  478    H    ARG  78           HN       ARG  78  10.875   5.610   5.610
  479    HA   ARG  78           HA       ARG  78  13.467   4.628   4.628
  480   1HB   ARG  78           HB2      ARG  78  12.906   2.466   2.466
  481   2HB   ARG  78           HB1      ARG  78  11.514   3.041   3.041
  482   1HG   ARG  78           HG2      ARG  78  10.672   4.017   4.017
  483   2HG   ARG  78           HG1      ARG  78  11.893   3.000   3.000
  484   1HD   ARG  78           HD2      ARG  78  10.708   1.230   1.230
  485   2HD   ARG  78           HD1      ARG  78   9.341   2.244   2.244
  486    HE   ARG  78           HE       ARG  78   9.468   1.336   1.336
  487   1HH1  ARG  78          HH21      ARG  78  12.331   0.727   0.727
  488   2HH1  ARG  78          HH22      ARG  78  13.011  -0.347  -0.347
  489   1HH2  ARG  78          HH11      ARG  78  10.345  -0.062  -0.062
  490   2HH2  ARG  78          HH12      ARG  78  11.887  -0.796  -0.796
  491    H    ARG  79           HN       ARG  79  15.215   4.286   4.286
  492    HA   ARG  79           HA       ARG  79  15.463   6.010   6.010
  493   1HB   ARG  79           HB2      ARG  79  17.006   3.523   3.523
  494   2HB   ARG  79           HB1      ARG  79  17.472   4.567   4.567
  495   1HG   ARG  79           HG2      ARG  79  17.736   6.463   6.463
  496   2HG   ARG  79           HG1      ARG  79  17.079   5.543   5.543
  497   1HD   ARG  79           HD2      ARG  79  19.012   3.888   3.888
  498   2HD   ARG  79           HD1      ARG  79  19.720   5.161   5.161
  499    HE   ARG  79           HE       ARG  79  19.555   5.153   5.153
  500   1HH1  ARG  79          HH21      ARG  79  19.722   7.034   7.034
  501   2HH1  ARG  79          HH22      ARG  79  20.429   8.409   8.409
  502   1HH2  ARG  79          HH11      ARG  79  20.475   6.938   6.938
  503   2HH2  ARG  79          HH12      ARG  79  20.854   8.355   8.355

  Start of MODEL   12
    1   1H    THR   9           HT2      THR   9  15.049  27.405  27.405
    2   2H    THR   9           HT1      THR   9  14.260  28.678  28.678
    3   3H    THR   9           HT3      THR   9  15.941  28.735  28.735
    4    HA   THR   9           HA       THR   9  15.770  29.190  29.190
    5    HB   THR   9           HB       THR   9  13.214  30.515  30.515
    6    HG1  THR   9           HG1      THR   9  14.107  31.560  31.560
    7   1HG2  THR   9          HG22      THR   9  15.683  31.114  31.114
    8   2HG2  THR   9          HG21      THR   9  14.877  32.467  32.467
    9   3HG2  THR   9          HG23      THR   9  14.000  31.481  31.481
   10    H    PHE  10           HN       PHE  10  14.875  26.666  26.666
   11    HA   PHE  10           HA       PHE  10  12.115  26.596  26.596
   12   1HB   PHE  10           HB2      PHE  10  14.262  24.591  24.591
   13   2HB   PHE  10           HB1      PHE  10  13.026  24.166  24.166
   14    HD1  PHE  10           HD2      PHE  10  12.262  26.480  26.480
   15    HD2  PHE  10           HD1      PHE  10  12.074  22.416  22.416
   16    HE1  PHE  10           HE2      PHE  10  10.689  25.983  25.983
   17    HE2  PHE  10           HE1      PHE  10  10.500  21.925  21.925
   18    HZ   PHE  10           HZ       PHE  10   9.807  23.708  23.708
   19    H    VAL  11           HN       VAL  11  11.658  25.805  25.805
   20    HA   VAL  11           HA       VAL  11  13.775  26.701  26.701
   21    HB   VAL  11           HB       VAL  11  10.873  26.554  26.554
   22   1HG1  VAL  11          HG13      VAL  11  13.005  27.140  27.140
   23   2HG1  VAL  11          HG12      VAL  11  12.798  28.729  28.729
   24   3HG1  VAL  11          HG11      VAL  11  11.494  28.023  28.023
   25   1HG2  VAL  11          HG23      VAL  11  12.202  28.721  28.721
   26   2HG2  VAL  11          HG22      VAL  11  10.771  27.783  27.783
   27   3HG2  VAL  11          HG21      VAL  11  10.696  28.962  28.962
   28    H    ALA  12           HN       ALA  12  13.879  25.492  25.492
   29    HA   ALA  12           HA       ALA  12  13.346  22.621  22.621
   30   1HB   ALA  12           HB3      ALA  12  15.548  23.330  23.330
   31   2HB   ALA  12           HB2      ALA  12  14.758  24.041  24.041
   32   3HB   ALA  12           HB1      ALA  12  14.707  22.297  22.297
   33    H    LEU  13           HN       LEU  13  11.252  22.078  22.078
   34    HA   LEU  13           HA       LEU  13   9.766  23.384  23.384
   35   1HB   LEU  13           HB2      LEU  13   9.156  21.158  21.158
   36   2HB   LEU  13           HB1      LEU  13   8.057  21.553  21.553
   37    HG   LEU  13           HG       LEU  13   9.062  23.570  23.570
   38   1HD1  LEU  13          HD12      LEU  13   6.549  21.893  21.893
   39   2HD1  LEU  13          HD11      LEU  13   6.624  23.407  23.407
   40   3HD1  LEU  13          HD13      LEU  13   7.685  22.067  22.067
   41   1HD2  LEU  13          HD22      LEU  13   6.887  23.646  23.646
   42   2HD2  LEU  13          HD21      LEU  13   8.398  24.557  24.557
   43   3HD2  LEU  13          HD23      LEU  13   7.167  24.914  24.914
   44    H    TYR  14           HN       TYR  14  11.410  20.290  20.290
   45    HA   TYR  14           HA       TYR  14  10.938  19.712  19.712
   46   1HB   TYR  14           HB2      TYR  14  11.011  17.771  17.771
   47   2HB   TYR  14           HB1      TYR  14  11.016  17.284  17.284
   48    HD1  TYR  14           HD1      TYR  14   9.132  19.726  19.726
   49    HD2  TYR  14           HD2      TYR  14   8.918  16.700  16.700
   50    HE1  TYR  14           HE1      TYR  14   6.709  20.028  20.028
   51    HE2  TYR  14           HE2      TYR  14   6.481  16.963  16.963
   52    HH   TYR  14           HH       TYR  14   4.776  19.109  19.109
   53    H    ASP  15           HN       ASP  15  12.713  18.704  18.704
   54    HA   ASP  15           HA       ASP  15  15.316  19.543  19.543
   55   1HB   ASP  15           HB2      ASP  15  14.594  17.504  17.504
   56   2HB   ASP  15           HB1      ASP  15  16.153  18.311  18.311
   57    H    TYR  16           HN       TYR  16  16.913  18.378  18.378
   58    HA   TYR  16           HA       TYR  16  16.233  15.558  15.558
   59   1HB   TYR  16           HB2      TYR  16  15.897  17.074  17.074
   60   2HB   TYR  16           HB1      TYR  16  17.558  17.643  17.643
   61    HD1  TYR  16           HD1      TYR  16  16.607  14.135  14.135
   62    HD2  TYR  16           HD2      TYR  16  18.267  16.850  16.850
   63    HE1  TYR  16           HE1      TYR  16  17.393  12.249  12.249
   64    HE2  TYR  16           HE2      TYR  16  19.049  14.964  14.964
   65    HH   TYR  16           HH       TYR  16  18.045  12.228  12.228
   66    H    GLU  17           HN       GLU  17  17.649  14.506  14.506
   67    HA   GLU  17           HA       GLU  17  20.506  15.374  15.374
   68   1HB   GLU  17           HB2      GLU  17  19.109  15.074  15.074
   69   2HB   GLU  17           HB1      GLU  17  19.401  13.356  13.356
   70   1HG   GLU  17           HG2      GLU  17  21.820  13.751  13.751
   71   2HG   GLU  17           HG1      GLU  17  21.559  15.485  15.485
   72    H    SER  18           HN       SER  18  20.397  14.246  14.246
   73    HA   SER  18           HA       SER  18  20.009  11.525  11.525
   74   1HB   SER  18           HB2      SER  18  22.272  11.968  11.968
   75   2HB   SER  18           HB1      SER  18  20.652  12.442  12.442
   76    HG   SER  18           HG       SER  18  21.019  14.480  14.480
   77    H    ARG  19           HN       ARG  19  21.420   9.677   9.677
   78    HA   ARG  19           HA       ARG  19  23.275   9.796   9.796
   79   1HB   ARG  19           HB2      ARG  19  22.798   7.301   7.301
   80   2HB   ARG  19           HB1      ARG  19  23.030   7.489   7.489
   81   1HG   ARG  19           HG2      ARG  19  20.762   8.834   8.834
   82   2HG   ARG  19           HG1      ARG  19  20.551   7.909   7.909
   83   1HD   ARG  19           HD2      ARG  19  20.848   6.879   6.879
   84   2HD   ARG  19           HD1      ARG  19  19.550   6.560   6.560
   85    HE   ARG  19           HE       ARG  19  22.086   5.142   5.142
   86   1HH1  ARG  19          HH21      ARG  19  19.502   6.228   6.228
   87   2HH1  ARG  19          HH22      ARG  19  19.726   4.979   4.979
   88   1HH2  ARG  19          HH11      ARG  19  22.386   3.509   3.509
   89   2HH2  ARG  19          HH12      ARG  19  21.356   3.442   3.442
   90    H    THR  20           HN       THR  20  23.324   9.251   9.251
   91    HA   THR  20           HA       THR  20  26.309   9.097   9.097
   92    HB   THR  20           HB       THR  20  25.236   7.114   7.114
   93    HG1  THR  20           HG1      THR  20  26.208   7.604   7.604
   94   1HG2  THR  20          HG22      THR  20  23.999   9.221   9.221
   95   2HG2  THR  20          HG21      THR  20  24.112   7.530   7.530
   96   3HG2  THR  20          HG23      THR  20  23.183   7.972   7.972
   97    H    GLU  21           HN       GLU  21  27.189   9.959   9.959
   98    HA   GLU  21           HA       GLU  21  26.556  12.772  12.772
   99   1HB   GLU  21           HB2      GLU  21  28.342  10.943  10.943
  100   2HB   GLU  21           HB1      GLU  21  27.946  12.506  12.506
  101   1HG   GLU  21           HG2      GLU  21  30.031  12.475  12.475
  102   2HG   GLU  21           HG1      GLU  21  28.830  13.691  13.691
  103    H    THR  22           HN       THR  22  26.756  11.373  11.373
  104    HA   THR  22           HA       THR  22  25.283  11.794  11.794
  105    HB   THR  22           HB       THR  22  22.996  10.511  10.511
  106    HG1  THR  22           HG1      THR  22  23.329   9.414   9.414
  107   1HG2  THR  22          HG21      THR  22  24.906  10.020  10.020
  108   2HG2  THR  22          HG23      THR  22  25.460   8.882   8.882
  109   3HG2  THR  22          HG22      THR  22  23.845   8.717   8.717
  110    H    ASP  23           HN       ASP  23  22.569  11.642  11.642
  111    HA   ASP  23           HA       ASP  23  21.459  14.097  14.097
  112   1HB   ASP  23           HB2      ASP  23  20.728  12.692  12.692
  113   2HB   ASP  23           HB1      ASP  23  19.704  13.753  13.753
  114    H    LEU  24           HN       LEU  24  21.677  16.172  16.172
  115    HA   LEU  24           HA       LEU  24  23.766  16.727  16.727
  116   1HB   LEU  24           HB2      LEU  24  21.910  18.331  18.331
  117   2HB   LEU  24           HB1      LEU  24  22.581  19.121  19.121
  118    HG   LEU  24           HG       LEU  24  24.240  17.678  17.678
  119   1HD1  LEU  24          HD11      LEU  24  23.421  20.556  20.556
  120   2HD1  LEU  24          HD13      LEU  24  24.968  20.153  20.153
  121   3HD1  LEU  24          HD12      LEU  24  23.466  19.578  19.578
  122   1HD2  LEU  24          HD21      LEU  24  24.763  18.765  18.765
  123   2HD2  LEU  24          HD23      LEU  24  25.809  17.788  17.788
  124   3HD2  LEU  24          HD22      LEU  24  25.769  19.540  19.540
  125    H    SER  25           HN       SER  25  23.461  17.747  17.747
  126    HA   SER  25           HA       SER  25  20.889  16.977  16.977
  127   1HB   SER  25           HB2      SER  25  23.643  17.006  17.006
  128   2HB   SER  25           HB1      SER  25  22.694  18.021  18.021
  129    HG   SER  25           HG       SER  25  22.264  16.132  16.132
  130    H    PHE  26           HN       PHE  26  19.511  18.500  18.500
  131    HA   PHE  26           HA       PHE  26  20.383  21.271  21.271
  132   1HB   PHE  26           HB2      PHE  26  18.818  22.265  22.265
  133   2HB   PHE  26           HB1      PHE  26  19.875  21.154  21.154
  134    HD1  PHE  26           HD2      PHE  26  16.474  21.651  21.651
  135    HD2  PHE  26           HD1      PHE  26  18.997  19.069  19.069
  136    HE1  PHE  26           HE2      PHE  26  14.506  20.397  20.397
  137    HE2  PHE  26           HE1      PHE  26  17.029  17.820  17.820
  138    HZ   PHE  26           HZ       PHE  26  14.782  18.480  18.480
  139    H    LYS  27           HN       LYS  27  19.300  22.012  22.012
  140    HA   LYS  27           HA       LYS  27  16.936  20.493  20.493
  141   1HB   LYS  27           HB2      LYS  27  18.348  22.786  22.786
  142   2HB   LYS  27           HB1      LYS  27  17.268  21.596  21.596
  143   1HG   LYS  27           HG2      LYS  27  19.045  19.887  19.887
  144   2HG   LYS  27           HG1      LYS  27  20.111  21.287  21.287
  145   1HD   LYS  27           HD2      LYS  27  19.711  21.512  21.512
  146   2HD   LYS  27           HD1      LYS  27  18.405  20.327  20.327
  147   1HE   LYS  27           HE2      LYS  27  20.279  19.130  19.130
  148   2HE   LYS  27           HE1      LYS  27  20.173  18.666  18.666
  149   1HZ   LYS  27           HZ1      LYS  27  21.767  21.022  21.022
  150   2HZ   LYS  27           HZ3      LYS  27  22.404  19.531  19.531
  151   3HZ   LYS  27           HZ2      LYS  27  22.040  19.788  19.788
  152    H    LYS  28           HN       LYS  28  15.098  21.850  21.850
  153    HA   LYS  28           HA       LYS  28  13.874  23.409  23.409
  154   1HB   LYS  28           HB2      LYS  28  12.545  22.508  22.508
  155   2HB   LYS  28           HB1      LYS  28  13.467  23.413  23.413
  156   1HG   LYS  28           HG2      LYS  28  12.700  25.534  25.534
  157   2HG   LYS  28           HG1      LYS  28  11.613  24.531  24.531
  158   1HD   LYS  28           HD2      LYS  28  10.767  23.613  23.613
  159   2HD   LYS  28           HD1      LYS  28  11.579  25.004  25.004
  160   1HE   LYS  28           HE2      LYS  28   9.467  25.898  25.898
  161   2HE   LYS  28           HE1      LYS  28  10.273  26.330  26.330
  162   1HZ   LYS  28           HZ1      LYS  28   9.397  23.868  23.868
  163   2HZ   LYS  28           HZ3      LYS  28   8.167  24.406  24.406
  164   3HZ   LYS  28           HZ2      LYS  28   8.535  25.286  25.286
  165    H    GLY  29           HN       GLY  29  13.738  25.654  25.654
  166   1HA   GLY  29           HA2      GLY  29  14.214  27.966  27.966
  167   2HA   GLY  29           HA1      GLY  29  15.367  27.437  27.437
  168    H    GLU  30           HN       GLU  30  16.278  25.414  25.414
  169    HA   GLU  30           HA       GLU  30  18.389  27.181  27.181
  170   1HB   GLU  30           HB2      GLU  30  18.952  24.914  24.914
  171   2HB   GLU  30           HB1      GLU  30  17.902  24.217  24.217
  172   1HG   GLU  30           HG2      GLU  30  19.976  24.118  24.118
  173   2HG   GLU  30           HG1      GLU  30  19.369  25.669  25.669
  174    H    ARG  31           HN       ARG  31  18.732  27.605  27.605
  175    HA   ARG  31           HA       ARG  31  16.354  27.056  27.056
  176   1HB   ARG  31           HB2      ARG  31  18.060  29.450  29.450
  177   2HB   ARG  31           HB1      ARG  31  17.616  29.101  29.101
  178   1HG   ARG  31           HG2      ARG  31  15.779  30.358  30.358
  179   2HG   ARG  31           HG1      ARG  31  15.210  28.749  28.749
  180   1HD   ARG  31           HD2      ARG  31  15.238  29.237  29.237
  181   2HD   ARG  31           HD1      ARG  31  16.820  30.011  30.011
  182    HE   ARG  31           HE       ARG  31  14.284  31.381  31.381
  183   1HH1  ARG  31          HH21      ARG  31  17.451  31.340  31.340
  184   2HH1  ARG  31          HH22      ARG  31  17.482  33.044  33.044
  185   1HH2  ARG  31          HH11      ARG  31  14.315  33.606  33.606
  186   2HH2  ARG  31          HH12      ARG  31  15.711  34.326  34.326
  187    H    LEU  32           HN       LEU  32  16.714  26.037  26.037
  188    HA   LEU  32           HA       LEU  32  19.529  25.725  25.725
  189   1HB   LEU  32           HB2      LEU  32  17.537  23.460  23.460
  190   2HB   LEU  32           HB1      LEU  32  19.131  23.317  23.317
  191    HG   LEU  32           HG       LEU  32  19.882  24.436  24.436
  192   1HD1  LEU  32          HD13      LEU  32  17.389  24.478  24.478
  193   2HD1  LEU  32          HD12      LEU  32  17.543  22.733  22.733
  194   3HD1  LEU  32          HD11      LEU  32  18.523  23.826  23.826
  195   1HD2  LEU  32          HD23      LEU  32  19.192  21.506  21.506
  196   2HD2  LEU  32          HD22      LEU  32  20.692  22.290  22.290
  197   3HD2  LEU  32          HD21      LEU  32  20.301  22.136  22.136
  198    H    GLN  33           HN       GLN  33  19.684  25.258  25.258
  199    HA   GLN  33           HA       GLN  33  17.408  26.354  26.354
  200   1HB   GLN  33           HB2      GLN  33  19.711  27.062  27.062
  201   2HB   GLN  33           HB1      GLN  33  20.134  25.393  25.393
  202   1HG   GLN  33           HG2      GLN  33  19.326  25.642  25.642
  203   2HG   GLN  33           HG1      GLN  33  17.749  26.093  26.093
  204   1HE2  GLN  33          HE22      GLN  33  20.051  28.930  28.930
  205   2HE2  GLN  33          HE21      GLN  33  20.384  27.271  27.271
  206    H    ILE  34           HN       ILE  34  16.296  25.181  25.181
  207    HA   ILE  34           HA       ILE  34  16.421  22.229  22.229
  208    HB   ILE  34           HB       ILE  34  14.301  23.905  23.905
  209   1HG1  ILE  34          HG12      ILE  34  14.569  24.350  24.350
  210   2HG1  ILE  34          HG11      ILE  34  13.003  23.666  23.666
  211   1HG2  ILE  34          HG22      ILE  34  14.558  20.988  20.988
  212   2HG2  ILE  34          HG21      ILE  34  12.979  21.737  21.737
  213   3HG2  ILE  34          HG23      ILE  34  14.142  21.687  21.687
  214   1HD1  ILE  34          HD11      ILE  34  15.108  21.678  21.678
  215   2HD1  ILE  34          HD13      ILE  34  14.602  22.665  22.665
  216   3HD1  ILE  34          HD12      ILE  34  13.413  21.706  21.706
  217    H    VAL  35           HN       VAL  35  16.641  20.850  20.850
  218    HA   VAL  35           HA       VAL  35  17.555  22.224  22.224
  219    HB   VAL  35           HB       VAL  35  18.512  19.592  19.592
  220   1HG1  VAL  35          HG12      VAL  35  18.947  21.010  21.010
  221   2HG1  VAL  35          HG11      VAL  35  20.304  20.136  20.136
  222   3HG1  VAL  35          HG13      VAL  35  18.811  19.282  19.282
  223   1HG2  VAL  35          HG22      VAL  35  19.204  21.976  21.976
  224   2HG2  VAL  35          HG21      VAL  35  20.404  20.701  20.701
  225   3HG2  VAL  35          HG23      VAL  35  20.259  21.982  21.982
  226    H    ASN  36           HN       ASN  36  16.862  18.824  18.824
  227    HA   ASN  36           HA       ASN  36  14.938  18.834  18.834
  228   1HB   ASN  36           HB2      ASN  36  16.874  17.252  17.252
  229   2HB   ASN  36           HB1      ASN  36  16.285  16.474  16.474
  230   1HD2  ASN  36          HD21      ASN  36  15.671  16.907  16.907
  231   2HD2  ASN  36          HD22      ASN  36  14.434  15.749  15.749
  232    H    ASN  37           HN       ASN  37  12.941  19.288  19.288
  233    HA   ASN  37           HA       ASN  37  12.177  17.844  17.844
  234   1HB   ASN  37           HB2      ASN  37  10.137  19.547  19.547
  235   2HB   ASN  37           HB1      ASN  37  11.644  20.035  20.035
  236   1HD2  ASN  37          HD22      ASN  37  11.932  22.641  22.641
  237   2HD2  ASN  37          HD21      ASN  37  11.938  22.173  22.173
  238    H    THR  38           HN       THR  38   9.753  19.099  19.099
  239    HA   THR  38           HA       THR  38   7.907  17.957  17.957
  240    HB   THR  38           HB       THR  38   9.378  17.890  17.890
  241    HG1  THR  38           HG1      THR  38   7.577  16.497  16.497
  242   1HG2  THR  38          HG23      THR  38  10.670  15.511  15.511
  243   2HG2  THR  38          HG22      THR  38  11.044  16.061  16.061
  244   3HG2  THR  38          HG21      THR  38  11.402  17.095  17.095
  245    H    GLU  39           HN       GLU  39   7.084  17.039  17.039
  246    HA   GLU  39           HA       GLU  39   6.813  15.346  15.346
  247   1HB   GLU  39           HB2      GLU  39   6.138  13.645  13.645
  248   2HB   GLU  39           HB1      GLU  39   5.216  13.966  13.966
  249   1HG   GLU  39           HG2      GLU  39   4.612  16.169  16.169
  250   2HG   GLU  39           HG1      GLU  39   5.700  16.032  16.032
  251    H    GLY  40           HN       GLY  40   6.873  12.461  12.461
  252   1HA   GLY  40           HA2      GLY  40   8.577  10.803  10.803
  253   2HA   GLY  40           HA1      GLY  40   9.809  12.026  12.026
  254    H    ASP  41           HN       ASP  41  10.188  12.647  12.647
  255    HA   ASP  41           HA       ASP  41   8.969  11.775  11.775
  256   1HB   ASP  41           HB2      ASP  41  10.267   9.548   9.548
  257   2HB   ASP  41           HB1      ASP  41  10.778   9.709   9.709
  258    H    TRP  42           HN       TRP  42  12.216  11.618  11.618
  259    HA   TRP  42           HA       TRP  42  13.199  13.231  13.231
  260   1HB   TRP  42           HB2      TRP  42  14.369  10.849  10.849
  261   2HB   TRP  42           HB1      TRP  42  15.472  12.084  12.084
  262    HD1  TRP  42           HD1      TRP  42  13.026   9.375   9.375
  263    HE1  TRP  42           HE1      TRP  42  13.315   9.231   9.231
  264    HE3  TRP  42           HE3      TRP  42  15.967  13.302  13.302
  265    HZ2  TRP  42           HZ2      TRP  42  14.716  10.701  10.701
  266    HZ3  TRP  42           HZ3      TRP  42  16.799  13.970  13.970
  267    HH2  TRP  42           HH2      TRP  42  16.173  12.671  12.671
  268    H    TRP  43           HN       TRP  43  13.956  15.199  15.199
  269    HA   TRP  43           HA       TRP  43  14.548  15.636  15.636
  270   1HB   TRP  43           HB2      TRP  43  14.025  17.657  17.657
  271   2HB   TRP  43           HB1      TRP  43  14.230  18.023  18.023
  272    HD1  TRP  43           HD1      TRP  43  12.401  15.375  15.375
  273    HE1  TRP  43           HE1      TRP  43   9.904  15.751  15.751
  274    HE3  TRP  43           HE3      TRP  43  12.433  19.135  19.135
  275    HZ2  TRP  43           HZ2      TRP  43   8.054  17.514  17.514
  276    HZ3  TRP  43           HZ3      TRP  43  10.368  20.178  20.178
  277    HH2  TRP  43           HH2      TRP  43   8.179  19.371  19.371
  278    H    LEU  44           HN       LEU  44  16.341  17.368  17.368
  279    HA   LEU  44           HA       LEU  44  18.592  16.736  16.736
  280   1HB   LEU  44           HB2      LEU  44  18.815  15.879  15.879
  281   2HB   LEU  44           HB1      LEU  44  18.796  17.555  17.555
  282    HG   LEU  44           HG       LEU  44  20.739  17.971  17.971
  283   1HD1  LEU  44          HD12      LEU  44  20.087  15.550  15.550
  284   2HD1  LEU  44          HD11      LEU  44  21.370  15.074  15.074
  285   3HD1  LEU  44          HD13      LEU  44  21.691  16.265  16.265
  286   1HD2  LEU  44          HD21      LEU  44  20.873  17.501  17.501
  287   2HD2  LEU  44          HD23      LEU  44  22.349  17.252  17.252
  288   3HD2  LEU  44          HD22      LEU  44  21.368  15.869  15.869
  289    H    ALA  45           HN       ALA  45  19.009  18.481  18.481
  290    HA   ALA  45           HA       ALA  45  18.457  21.190  21.190
  291   1HB   ALA  45           HB2      ALA  45  17.458  20.438  20.438
  292   2HB   ALA  45           HB1      ALA  45  19.097  20.498  20.498
  293   3HB   ALA  45           HB3      ALA  45  18.339  21.966  21.966
  294    H    HIS  46           HN       HIS  46  20.074  22.752  22.752
  295    HA   HIS  46           HA       HIS  46  22.851  21.757  21.757
  296   1HB   HIS  46           HB2      HIS  46  22.864  22.270  22.270
  297   2HB   HIS  46           HB1      HIS  46  21.585  23.469  23.469
  298    HD1  HIS  46           HD1      HIS  46  25.244  23.158  23.158
  299    HD2  HIS  46           HD2      HIS  46  22.430  26.092  26.092
  300    HE1  HIS  46           HE1      HIS  46  26.491  25.257  25.257
  301    H    SER  47           HN       SER  47  24.038  22.816  22.816
  302    HA   SER  47           HA       SER  47  22.825  24.817  24.817
  303   1HB   SER  47           HB2      SER  47  25.540  23.579  23.579
  304   2HB   SER  47           HB1      SER  47  25.381  25.069  25.069
  305    HG   SER  47           HG       SER  47  24.830  22.651  22.651
  306    H    LEU  48           HN       LEU  48  23.582  27.053  27.053
  307    HA   LEU  48           HA       LEU  48  24.460  28.213  28.213
  308   1HB   LEU  48           HB2      LEU  48  23.050  29.552  29.552
  309   2HB   LEU  48           HB1      LEU  48  23.422  30.298  30.298
  310    HG   LEU  48           HG       LEU  48  21.700  27.823  27.823
  311   1HD1  LEU  48          HD13      LEU  48  21.051  30.756  30.756
  312   2HD1  LEU  48          HD12      LEU  48  19.916  29.606  29.606
  313   3HD1  LEU  48          HD11      LEU  48  20.355  29.478  29.478
  314   1HD2  LEU  48          HD23      LEU  48  22.514  29.593  29.593
  315   2HD2  LEU  48          HD22      LEU  48  22.554  27.833  27.833
  316   3HD2  LEU  48          HD21      LEU  48  21.012  28.672  28.672
  317    H    THR  49           HN       THR  49  25.582  27.504  27.504
  318    HA   THR  49           HA       THR  49  27.340  29.838  29.838
  319    HB   THR  49           HB       THR  49  28.073  27.500  27.500
  320    HG1  THR  49           HG1      THR  49  26.105  27.449  27.449
  321   1HG2  THR  49          HG22      THR  49  28.263  30.183  30.183
  322   2HG2  THR  49          HG21      THR  49  26.797  29.903  29.903
  323   3HG2  THR  49          HG23      THR  49  28.298  29.090  29.090
  324    H    THR  50           HN       THR  50  28.270  26.397  26.397
  325    HA   THR  50           HA       THR  50  30.740  27.087  27.087
  326    HB   THR  50           HB       THR  50  30.090  24.269  24.269
  327    HG1  THR  50           HG1      THR  50  30.780  26.271  26.271
  328   1HG2  THR  50          HG23      THR  50  32.492  26.090  26.090
  329   2HG2  THR  50          HG22      THR  50  32.515  24.543  24.543
  330   3HG2  THR  50          HG21      THR  50  32.251  24.592  24.592
  331    H    GLY  51           HN       GLY  51  27.916  24.943  24.943
  332   1HA   GLY  51           HA2      GLY  51  26.918  24.846  24.846
  333   2HA   GLY  51           HA1      GLY  51  28.565  24.838  24.838
  334    H    GLN  52           HN       GLN  52  27.167  22.993  22.993
  335    HA   GLN  52           HA       GLN  52  28.221  20.521  20.521
  336   1HB   GLN  52           HB2      GLN  52  27.272  21.153  21.153
  337   2HB   GLN  52           HB1      GLN  52  27.677  19.520  19.520
  338   1HG   GLN  52           HG2      GLN  52  29.944  20.043  20.043
  339   2HG   GLN  52           HG1      GLN  52  29.626  21.774  21.774
  340   1HE2  GLN  52          HE22      GLN  52  30.480  22.143  22.143
  341   2HE2  GLN  52          HE21      GLN  52  30.675  22.680  22.680
  342    H    THR  53           HN       THR  53  26.839  19.072  19.072
  343    HA   THR  53           HA       THR  53  23.976  19.666  19.666
  344    HB   THR  53           HB       THR  53  25.818  18.259  18.259
  345    HG1  THR  53           HG1      THR  53  23.024  18.593  18.593
  346   1HG2  THR  53          HG22      THR  53  23.538  16.560  16.560
  347   2HG2  THR  53          HG21      THR  53  24.288  16.282  16.282
  348   3HG2  THR  53          HG23      THR  53  25.247  16.138  16.138
  349    H    GLY  54           HN       GLY  54  22.337  18.125  18.125
  350   1HA   GLY  54           HA2      GLY  54  23.030  15.791  15.791
  351   2HA   GLY  54           HA1      GLY  54  22.657  17.155  17.155
  352    H    TYR  55           HN       TYR  55  21.304  14.560  14.560
  353    HA   TYR  55           HA       TYR  55  18.807  15.531  15.531
  354   1HB   TYR  55           HB2      TYR  55  19.328  12.871  12.871
  355   2HB   TYR  55           HB1      TYR  55  18.031  13.248  13.248
  356    HD1  TYR  55           HD2      TYR  55  18.564  13.708  13.708
  357    HD2  TYR  55           HD1      TYR  55  21.565  12.423  12.423
  358    HE1  TYR  55           HE2      TYR  55  20.024  13.127  13.127
  359    HE2  TYR  55           HE1      TYR  55  23.026  11.844  11.844
  360    HH   TYR  55           HH       TYR  55  22.373  11.178  11.178
  361    H    ILE  56           HN       ILE  56  17.303  16.622  16.622
  362    HA   ILE  56           HA       ILE  56  17.201  16.171  16.171
  363    HB   ILE  56           HB       ILE  56  15.917  18.294  18.294
  364   1HG1  ILE  56          HG12      ILE  56  16.577  18.745  18.745
  365   2HG1  ILE  56          HG11      ILE  56  15.141  17.801  17.801
  366   1HG2  ILE  56          HG22      ILE  56  18.662  17.989  17.989
  367   2HG2  ILE  56          HG21      ILE  56  17.947  19.560  19.560
  368   3HG2  ILE  56          HG23      ILE  56  18.053  19.006  19.006
  369   1HD1  ILE  56          HD12      ILE  56  15.230  20.109  20.109
  370   2HD1  ILE  56          HD11      ILE  56  15.434  20.634  20.634
  371   3HD1  ILE  56          HD13      ILE  56  14.018  19.688  19.688
  372    HA   PRO  57           HA       PRO  57  13.464  13.900  13.900
  373   1HB   PRO  57           HB2      PRO  57  12.394  14.987  14.987
  374   2HB   PRO  57           HB1      PRO  57  13.179  13.421  13.421
  375   1HG   PRO  57           HG2      PRO  57  14.237  15.741  15.741
  376   2HG   PRO  57           HG1      PRO  57  15.019  14.174  14.174
  377   1HD   PRO  57           HD1      PRO  57  15.629  16.674  16.674
  378   2HD   PRO  57           HD2      PRO  57  16.425  15.104  15.104
  379    H    SER  58           HN       SER  58  11.351  14.286  14.286
  380    HA   SER  58           HA       SER  58  10.698  17.082  17.082
  381   1HB   SER  58           HB2      SER  58   9.536  16.186  16.186
  382   2HB   SER  58           HB1      SER  58  10.232  14.636  14.636
  383    HG   SER  58           HG       SER  58   7.724  15.731  15.731
  384    H    ASN  59           HN       ASN  59  10.462  15.589  15.589
  385    HA   ASN  59           HA       ASN  59   7.698  16.588  16.588
  386   1HB   ASN  59           HB2      ASN  59   8.238  14.046  14.046
  387   2HB   ASN  59           HB1      ASN  59   9.098  14.533  14.533
  388   1HD2  ASN  59          HD22      ASN  59   6.142  15.124  15.124
  389   2HD2  ASN  59          HD21      ASN  59   7.839  15.176  15.176
  390    H    TYR  60           HN       TYR  60  11.055  16.809  16.809
  391    HA   TYR  60           HA       TYR  60  10.503  18.270  18.270
  392   1HB   TYR  60           HB2      TYR  60  13.117  17.384  17.384
  393   2HB   TYR  60           HB1      TYR  60  12.976  18.222  18.222
  394    HD1  TYR  60           HD1      TYR  60  10.111  16.332  16.332
  395    HD2  TYR  60           HD2      TYR  60  14.314  15.786  15.786
  396    HE1  TYR  60           HE1      TYR  60   9.736  14.191  14.191
  397    HE2  TYR  60           HE2      TYR  60  13.937  13.647  13.647
  398    HH   TYR  60           HH       TYR  60  11.092  12.008  12.008
  399    H    VAL  61           HN       VAL  61  10.090  19.210  19.210
  400    HA   VAL  61           HA       VAL  61  11.217  21.894  21.894
  401    HB   VAL  61           HB       VAL  61  13.044  21.063  21.063
  402   1HG1  VAL  61          HG11      VAL  61  11.148  19.164  19.164
  403   2HG1  VAL  61          HG13      VAL  61  11.815  19.945  19.945
  404   3HG1  VAL  61          HG12      VAL  61  12.890  19.160  19.160
  405   1HG2  VAL  61          HG21      VAL  61  12.138  23.149  23.149
  406   2HG2  VAL  61          HG23      VAL  61  12.901  22.142  22.142
  407   3HG2  VAL  61          HG22      VAL  61  11.144  22.194  22.194
  408    H    ALA  62           HN       ALA  62  10.376  23.439  23.439
  409    HA   ALA  62           HA       ALA  62   8.010  22.566  22.566
  410   1HB   ALA  62           HB3      ALA  62   7.832  24.182  24.182
  411   2HB   ALA  62           HB2      ALA  62   6.676  24.470  24.470
  412   3HB   ALA  62           HB1      ALA  62   6.789  22.874  22.874
  413    HA   PRO  63           HA       PRO  63   9.339  25.802  25.802
  414   1HB   PRO  63           HB2      PRO  63   6.666  26.487  26.487
  415   2HB   PRO  63           HB1      PRO  63   7.854  25.512  25.512
  416   1HG   PRO  63           HG2      PRO  63   5.462  24.604  24.604
  417   2HG   PRO  63           HG1      PRO  63   6.651  23.628  23.628
  418   1HD   PRO  63           HD1      PRO  63   6.229  23.781  23.781
  419   2HD   PRO  63           HD2      PRO  63   7.418  22.797  22.797
  420    H    SER  64           HN       SER  64   9.593  28.049  28.049
  421    HA   SER  64           HA       SER  64   8.256  29.348  29.348
  422   1HB   SER  64           HB2      SER  64   9.963  30.964  30.964
  423   2HB   SER  64           HB1      SER  64  10.788  29.490  29.490
  424    HG   SER  64           HG       SER  64  10.958  30.240  30.240
  425   1H    ALA  71           HT1      ALA  71   6.228  16.274  16.274
  426   2H    ALA  71           HT3      ALA  71   5.703  17.821  17.821
  427   3H    ALA  71           HT2      ALA  71   6.282  17.557  17.557
  428    HA   ALA  71           HA       ALA  71   7.981  18.666  18.666
  429   1HB   ALA  71           HB3      ALA  71   7.514  16.398  16.398
  430   2HB   ALA  71           HB2      ALA  71   8.925  17.456  17.456
  431   3HB   ALA  71           HB1      ALA  71   7.309  18.124  18.124
  432    H    PHE  72           HN       PHE  72   8.708  15.349  15.349
  433    HA   PHE  72           HA       PHE  72  11.063  15.153  15.153
  434   1HB   PHE  72           HB2      PHE  72   9.173  13.198  13.198
  435   2HB   PHE  72           HB1      PHE  72  10.276  12.567  12.567
  436    HD1  PHE  72           HD2      PHE  72  10.391  14.906  14.906
  437    HD2  PHE  72           HD1      PHE  72  12.355  11.815  11.815
  438    HE1  PHE  72           HE2      PHE  72  12.218  14.910  14.910
  439    HE2  PHE  72           HE1      PHE  72  14.180  11.823  11.823
  440    HZ   PHE  72           HZ       PHE  72  14.115  13.370  13.370
  441    H    ALA  73           HN       ALA  73  11.537  14.297  14.297
  442    HA   ALA  73           HA       ALA  73   9.376  14.686  14.686
  443   1HB   ALA  73           HB1      ALA  73  12.289  13.929  13.929
  444   2HB   ALA  73           HB3      ALA  73  11.166  14.340  14.340
  445   3HB   ALA  73           HB2      ALA  73  11.624  15.559  15.559
  446    HA   PRO  74           HA       PRO  74   8.214  10.440  10.440
  447   1HB   PRO  74           HB2      PRO  74   7.453  10.666  10.666
  448   2HB   PRO  74           HB1      PRO  74   6.402  10.648  10.648
  449   1HG   PRO  74           HG2      PRO  74   7.048  12.899  12.899
  450   2HG   PRO  74           HG1      PRO  74   6.014  12.885  12.885
  451   1HD   PRO  74           HD1      PRO  74   8.665  14.004  14.004
  452   2HD   PRO  74           HD2      PRO  74   7.617  14.012  14.012
  453    HA   PRO  75           HA       PRO  75  11.450   8.168   8.168
  454   1HB   PRO  75           HB2      PRO  75   9.793   6.191   6.191
  455   2HB   PRO  75           HB1      PRO  75  10.677   6.050   6.050
  456   1HG   PRO  75           HG2      PRO  75   7.823   6.318   6.318
  457   2HG   PRO  75           HG1      PRO  75   8.705   6.158   6.158
  458   1HD   PRO  75           HD1      PRO  75   7.425   8.515   8.515
  459   2HD   PRO  75           HD2      PRO  75   8.324   8.358   8.358
  460    H    LEU  76           HN       LEU  76  12.550   8.674   8.674
  461    HA   LEU  76           HA       LEU  76  11.406   9.995   9.995
  462   1HB   LEU  76           HB2      LEU  76  13.914   8.289   8.289
  463   2HB   LEU  76           HB1      LEU  76  13.519   9.545   9.545
  464    HG   LEU  76           HG       LEU  76  13.543  10.236  10.236
  465   1HD1  LEU  76          HD12      LEU  76  15.668   9.029   9.029
  466   2HD1  LEU  76          HD11      LEU  76  15.998  10.093  10.093
  467   3HD1  LEU  76          HD13      LEU  76  15.945  10.749  10.749
  468   1HD2  LEU  76          HD22      LEU  76  14.096  11.665  11.665
  469   2HD2  LEU  76          HD21      LEU  76  12.766  11.950  11.950
  470   3HD2  LEU  76          HD23      LEU  76  14.412  12.396  12.396
  471    HA   PRO  77           HA       PRO  77   9.432   6.947   6.947
  472   1HB   PRO  77           HB2      PRO  77  10.553   7.847   7.847
  473   2HB   PRO  77           HB1      PRO  77   8.944   8.180   8.180
  474   1HG   PRO  77           HG2      PRO  77  11.169  10.004  10.004
  475   2HG   PRO  77           HG1      PRO  77   9.567  10.331  10.331
  476   1HD   PRO  77           HD1      PRO  77  12.061  10.028  10.028
  477   2HD   PRO  77           HD2      PRO  77  10.456  10.378  10.378
  478    H    ARG  78           HN       ARG  78  10.025   5.309   5.309
  479    HA   ARG  78           HA       ARG  78  12.490   3.960   3.960
  480   1HB   ARG  78           HB2      ARG  78  10.167   3.313   3.313
  481   2HB   ARG  78           HB1      ARG  78  11.669   2.419   2.419
  482   1HG   ARG  78           HG2      ARG  78  10.984   2.672   2.672
  483   2HG   ARG  78           HG1      ARG  78   9.700   1.878   1.878
  484   1HD   ARG  78           HD2      ARG  78  11.062   0.101   0.101
  485   2HD   ARG  78           HD1      ARG  78  12.541   1.050   1.050
  486    HE   ARG  78           HE       ARG  78  11.616   0.909   0.909
  487   1HH1  ARG  78          HH21      ARG  78  12.244  -1.356  -1.356
  488   2HH1  ARG  78          HH22      ARG  78  12.667  -2.640  -2.640
  489   1HH2  ARG  78          HH11      ARG  78  12.167  -0.759  -0.759
  490   2HH2  ARG  78          HH12      ARG  78  12.623  -2.304  -2.304
  491    H    ARG  79           HN       ARG  79  13.924   5.748   5.748
  492    HA   ARG  79           HA       ARG  79  14.118   6.514   6.514
  493   1HB   ARG  79           HB2      ARG  79  15.272   7.763   7.763
  494   2HB   ARG  79           HB1      ARG  79  16.270   6.360   6.360
  495   1HG   ARG  79           HG2      ARG  79  16.277   7.230   7.230
  496   2HG   ARG  79           HG1      ARG  79  17.060   8.322   8.322
  497   1HD   ARG  79           HD2      ARG  79  17.641   5.350   5.350
  498   2HD   ARG  79           HD1      ARG  79  18.610   6.591   6.591
  499    HE   ARG  79           HE       ARG  79  18.641   5.964   5.964
  500   1HH1  ARG  79          HH21      ARG  79  19.072   8.383   8.383
  501   2HH1  ARG  79          HH22      ARG  79  20.150   9.338   9.338
  502   1HH2  ARG  79          HH11      ARG  79  20.046   7.203   7.203
  503   2HH2  ARG  79          HH12      ARG  79  20.701   8.671   8.671

  Start of MODEL   13
    1   1H    THR   9           HT1      THR   9  13.957  27.710  27.710
    2   2H    THR   9           HT3      THR   9  15.376  28.641  28.641
    3   3H    THR   9           HT2      THR   9  15.296  27.285  27.285
    4    HA   THR   9           HA       THR   9  15.074  29.294  29.294
    5    HB   THR   9           HB       THR   9  12.431  29.940  29.940
    6    HG1  THR   9           HG1      THR   9  14.856  30.460  30.460
    7   1HG2  THR   9          HG21      THR   9  14.451  31.133  31.133
    8   2HG2  THR   9          HG23      THR   9  14.280  32.120  32.120
    9   3HG2  THR   9          HG22      THR   9  12.876  31.798  31.798
   10    H    PHE  10           HN       PHE  10  14.686  26.752  26.752
   11    HA   PHE  10           HA       PHE  10  11.867  26.531  26.531
   12   1HB   PHE  10           HB2      PHE  10  13.932  24.550  24.550
   13   2HB   PHE  10           HB1      PHE  10  12.863  24.083  24.083
   14    HD1  PHE  10           HD2      PHE  10  11.777  26.437  26.437
   15    HD2  PHE  10           HD1      PHE  10  11.699  22.371  22.371
   16    HE1  PHE  10           HE2      PHE  10   9.984  25.967  25.967
   17    HE2  PHE  10           HE1      PHE  10   9.905  21.906  21.906
   18    HZ   PHE  10           HZ       PHE  10   9.047  23.702  23.702
   19    H    VAL  11           HN       VAL  11  11.706  25.422  25.422
   20    HA   VAL  11           HA       VAL  11  13.982  26.250  26.250
   21    HB   VAL  11           HB       VAL  11  11.111  26.417  26.417
   22   1HG1  VAL  11          HG12      VAL  11  13.794  27.399  27.399
   23   2HG1  VAL  11          HG11      VAL  11  12.372  28.364  28.364
   24   3HG1  VAL  11          HG13      VAL  11  12.487  26.694  26.694
   25   1HG2  VAL  11          HG23      VAL  11  12.692  28.410  28.410
   26   2HG2  VAL  11          HG22      VAL  11  11.048  27.835  27.835
   27   3HG2  VAL  11          HG21      VAL  11  11.389  28.923  28.923
   28    H    ALA  12           HN       ALA  12  14.522  24.762  24.762
   29    HA   ALA  12           HA       ALA  12  13.441  22.076  22.076
   30   1HB   ALA  12           HB2      ALA  12  15.440  23.333  23.333
   31   2HB   ALA  12           HB1      ALA  12  14.970  21.636  21.636
   32   3HB   ALA  12           HB3      ALA  12  15.763  22.242  22.242
   33    H    LEU  13           HN       LEU  13  11.313  21.936  21.936
   34    HA   LEU  13           HA       LEU  13  10.230  23.311  23.311
   35   1HB   LEU  13           HB2      LEU  13   9.373  20.898  20.898
   36   2HB   LEU  13           HB1      LEU  13   8.479  21.400  21.400
   37    HG   LEU  13           HG       LEU  13   9.131  23.289  23.289
   38   1HD1  LEU  13          HD13      LEU  13   6.640  21.627  21.627
   39   2HD1  LEU  13          HD12      LEU  13   6.746  22.948  22.948
   40   3HD1  LEU  13          HD11      LEU  13   7.732  21.501  21.501
   41   1HD2  LEU  13          HD23      LEU  13   8.514  24.051  24.051
   42   2HD2  LEU  13          HD22      LEU  13   7.643  24.774  24.774
   43   3HD2  LEU  13          HD21      LEU  13   6.891  23.491  23.491
   44    H    TYR  14           HN       TYR  14  12.266  20.544  20.544
   45    HA   TYR  14           HA       TYR  14  12.037  20.181  20.181
   46   1HB   TYR  14           HB2      TYR  14  11.869  17.918  17.918
   47   2HB   TYR  14           HB1      TYR  14  11.937  17.734  17.734
   48    HD1  TYR  14           HD2      TYR  14   9.929  19.225  19.225
   49    HD2  TYR  14           HD1      TYR  14   9.976  18.019  18.019
   50    HE1  TYR  14           HE2      TYR  14   7.517  19.634  19.634
   51    HE2  TYR  14           HE1      TYR  14   7.555  18.396  18.396
   52    HH   TYR  14           HH       TYR  14   5.818  19.608  19.608
   53    H    ASP  15           HN       ASP  15  13.919  19.016  19.016
   54    HA   ASP  15           HA       ASP  15  16.377  19.762  19.762
   55   1HB   ASP  15           HB2      ASP  15  16.422  18.040  18.040
   56   2HB   ASP  15           HB1      ASP  15  17.455  19.404  19.404
   57    H    TYR  16           HN       TYR  16  16.570  18.411  18.411
   58    HA   TYR  16           HA       TYR  16  16.206  15.525  15.525
   59   1HB   TYR  16           HB2      TYR  16  15.735  16.576  16.576
   60   2HB   TYR  16           HB1      TYR  16  17.358  17.266  17.266
   61    HD1  TYR  16           HD1      TYR  16  16.170  13.838  13.838
   62    HD2  TYR  16           HD2      TYR  16  18.514  16.181  16.181
   63    HE1  TYR  16           HE1      TYR  16  16.998  11.793  11.793
   64    HE2  TYR  16           HE2      TYR  16  19.344  14.136  14.136
   65    HH   TYR  16           HH       TYR  16  19.016  11.907  11.907
   66    H    GLU  17           HN       GLU  17  17.706  14.239  14.239
   67    HA   GLU  17           HA       GLU  17  20.540  15.163  15.163
   68   1HB   GLU  17           HB2      GLU  17  18.840  13.521  13.521
   69   2HB   GLU  17           HB1      GLU  17  20.516  12.998  12.998
   70   1HG   GLU  17           HG2      GLU  17  21.286  14.763  14.763
   71   2HG   GLU  17           HG1      GLU  17  20.269  15.899  15.899
   72    H    SER  18           HN       SER  18  20.335  14.403  14.403
   73    HA   SER  18           HA       SER  18  20.081  11.789  11.789
   74   1HB   SER  18           HB2      SER  18  22.363  12.607  12.607
   75   2HB   SER  18           HB1      SER  18  20.706  12.956  12.956
   76    HG   SER  18           HG       SER  18  20.983  14.954  14.954
   77    H    ARG  19           HN       ARG  19  21.689  10.066  10.066
   78    HA   ARG  19           HA       ARG  19  23.867  10.104  10.104
   79   1HB   ARG  19           HB2      ARG  19  21.652   8.225   8.225
   80   2HB   ARG  19           HB1      ARG  19  23.225   7.428   7.428
   81   1HG   ARG  19           HG2      ARG  19  23.719   8.181   8.181
   82   2HG   ARG  19           HG1      ARG  19  22.555   9.504   9.504
   83   1HD   ARG  19           HD2      ARG  19  20.729   8.096   8.096
   84   2HD   ARG  19           HD1      ARG  19  21.589   6.662   6.662
   85    HE   ARG  19           HE       ARG  19  22.980   7.485   7.485
   86   1HH1  ARG  19          HH21      ARG  19  19.738   6.640   6.640
   87   2HH1  ARG  19          HH22      ARG  19  19.358   6.014   6.014
   88   1HH2  ARG  19          HH11      ARG  19  22.494   6.669   6.669
   89   2HH2  ARG  19          HH12      ARG  19  20.915   6.030   6.030
   90    H    THR  20           HN       THR  20  23.104   9.874   9.874
   91    HA   THR  20           HA       THR  20  25.292   8.028   8.028
   92    HB   THR  20           HB       THR  20  24.064   9.679   9.679
   93    HG1  THR  20           HG1      THR  20  22.589   7.956   7.956
   94   1HG2  THR  20          HG23      THR  20  25.271   7.096   7.096
   95   2HG2  THR  20          HG22      THR  20  23.674   6.893   6.893
   96   3HG2  THR  20          HG21      THR  20  24.873   7.914   7.914
   97    H    GLU  21           HN       GLU  21  26.932   8.835   8.835
   98    HA   GLU  21           HA       GLU  21  28.079  11.359  11.359
   99   1HB   GLU  21           HB2      GLU  21  29.961  10.651  10.651
  100   2HB   GLU  21           HB1      GLU  21  29.688   9.630   9.630
  101   1HG   GLU  21           HG2      GLU  21  29.037   7.874   7.874
  102   2HG   GLU  21           HG1      GLU  21  28.030   8.893   8.893
  103    H    THR  22           HN       THR  22  25.638  11.329  11.329
  104    HA   THR  22           HA       THR  22  26.744  13.087  13.087
  105    HB   THR  22           HB       THR  22  25.536  12.060  12.060
  106    HG1  THR  22           HG1      THR  22  23.504  11.705  11.705
  107   1HG2  THR  22          HG22      THR  22  25.842   9.859   9.859
  108   2HG2  THR  22          HG21      THR  22  25.498   9.586   9.586
  109   3HG2  THR  22          HG23      THR  22  27.025  10.328  10.328
  110    H    ASP  23           HN       ASP  23  23.621  12.095  12.095
  111    HA   ASP  23           HA       ASP  23  22.244  14.511  14.511
  112   1HB   ASP  23           HB2      ASP  23  21.794  12.936  12.936
  113   2HB   ASP  23           HB1      ASP  23  20.607  13.751  13.751
  114    H    LEU  24           HN       LEU  24  22.234  16.499  16.499
  115    HA   LEU  24           HA       LEU  24  24.327  16.972  16.972
  116   1HB   LEU  24           HB2      LEU  24  22.571  18.783  18.783
  117   2HB   LEU  24           HB1      LEU  24  23.568  19.403  19.403
  118    HG   LEU  24           HG       LEU  24  24.810  17.615  17.615
  119   1HD1  LEU  24          HD11      LEU  24  23.589  19.354  19.354
  120   2HD1  LEU  24          HD13      LEU  24  24.366  20.602  20.602
  121   3HD1  LEU  24          HD12      LEU  24  25.333  19.593  19.593
  122   1HD2  LEU  24          HD23      LEU  24  25.795  19.957  19.957
  123   2HD2  LEU  24          HD22      LEU  24  26.087  18.253  18.253
  124   3HD2  LEU  24          HD21      LEU  24  26.789  18.993  18.993
  125    H    SER  25           HN       SER  25  23.730  16.674  16.674
  126    HA   SER  25           HA       SER  25  20.992  16.631  16.631
  127   1HB   SER  25           HB2      SER  25  22.962  17.251  17.251
  128   2HB   SER  25           HB1      SER  25  21.884  15.862  15.862
  129    HG   SER  25           HG       SER  25  23.383  14.776  14.776
  130    H    PHE  26           HN       PHE  26  19.690  18.347  18.347
  131    HA   PHE  26           HA       PHE  26  21.010  20.962  20.962
  132   1HB   PHE  26           HB2      PHE  26  18.996  22.009  22.009
  133   2HB   PHE  26           HB1      PHE  26  20.097  21.153  21.153
  134    HD1  PHE  26           HD2      PHE  26  16.817  21.026  21.026
  135    HD2  PHE  26           HD1      PHE  26  19.426  19.049  19.049
  136    HE1  PHE  26           HE2      PHE  26  14.968  19.578  19.578
  137    HE2  PHE  26           HE1      PHE  26  17.577  17.604  17.604
  138    HZ   PHE  26           HZ       PHE  26  15.347  17.865  17.865
  139    H    LYS  27           HN       LYS  27  19.824  22.336  22.336
  140    HA   LYS  27           HA       LYS  27  18.130  20.782  20.782
  141   1HB   LYS  27           HB2      LYS  27  19.231  23.594  23.594
  142   2HB   LYS  27           HB1      LYS  27  18.501  22.618  22.618
  143   1HG   LYS  27           HG2      LYS  27  20.880  21.585  21.585
  144   2HG   LYS  27           HG1      LYS  27  21.105  22.697  22.697
  145   1HD   LYS  27           HD2      LYS  27  19.475  21.030  21.030
  146   2HD   LYS  27           HD1      LYS  27  20.026  19.897  19.897
  147   1HE   LYS  27           HE2      LYS  27  22.089  21.527  21.527
  148   2HE   LYS  27           HE1      LYS  27  21.348  20.185  20.185
  149   1HZ   LYS  27           HZ1      LYS  27  22.160  19.603  19.603
  150   2HZ   LYS  27           HZ3      LYS  27  23.434  19.925  19.925
  151   3HZ   LYS  27           HZ2      LYS  27  22.335  18.675  18.675
  152    H    LYS  28           HN       LYS  28  16.511  22.668  22.668
  153    HA   LYS  28           HA       LYS  28  14.596  23.160  23.160
  154   1HB   LYS  28           HB2      LYS  28  13.959  22.190  22.190
  155   2HB   LYS  28           HB1      LYS  28  14.231  23.802  23.802
  156   1HG   LYS  28           HG2      LYS  28  12.654  24.525  24.525
  157   2HG   LYS  28           HG1      LYS  28  12.101  22.855  22.855
  158   1HD   LYS  28           HD2      LYS  28  12.360  24.287  24.287
  159   2HD   LYS  28           HD1      LYS  28  11.103  24.902  24.902
  160   1HE   LYS  28           HE2      LYS  28   9.811  23.220  23.220
  161   2HE   LYS  28           HE1      LYS  28  10.816  22.145  22.145
  162   1HZ   LYS  28           HZ3      LYS  28  12.316  21.917  21.917
  163   2HZ   LYS  28           HZ2      LYS  28  11.301  22.909  22.909
  164   3HZ   LYS  28           HZ1      LYS  28  10.744  21.400  21.400
  165    H    GLY  29           HN       GLY  29  14.879  25.036  25.036
  166   1HA   GLY  29           HA2      GLY  29  14.416  27.522  27.522
  167   2HA   GLY  29           HA1      GLY  29  15.655  27.469  27.469
  168    H    GLU  30           HN       GLU  30  16.894  25.359  25.359
  169    HA   GLU  30           HA       GLU  30  18.712  27.320  27.320
  170   1HB   GLU  30           HB2      GLU  30  19.357  24.995  24.995
  171   2HB   GLU  30           HB1      GLU  30  18.607  24.358  24.358
  172   1HG   GLU  30           HG2      GLU  30  20.534  24.769  24.769
  173   2HG   GLU  30           HG1      GLU  30  20.252  26.491  26.491
  174    H    ARG  31           HN       ARG  31  18.861  27.843  27.843
  175    HA   ARG  31           HA       ARG  31  16.426  27.285  27.285
  176   1HB   ARG  31           HB2      ARG  31  18.775  28.985  28.985
  177   2HB   ARG  31           HB1      ARG  31  17.103  29.082  29.082
  178   1HG   ARG  31           HG2      ARG  31  16.637  30.553  30.553
  179   2HG   ARG  31           HG1      ARG  31  17.129  29.372  29.372
  180   1HD   ARG  31           HD2      ARG  31  19.557  30.090  30.090
  181   2HD   ARG  31           HD1      ARG  31  18.777  31.516  31.516
  182    HE   ARG  31           HE       ARG  31  17.718  31.302  31.302
  183   1HH1  ARG  31          HH21      ARG  31  20.849  31.490  31.490
  184   2HH1  ARG  31          HH22      ARG  31  21.566  32.300  32.300
  185   1HH2  ARG  31          HH11      ARG  31  18.644  32.359  32.359
  186   2HH2  ARG  31          HH12      ARG  31  20.320  32.793  32.793
  187    H    LEU  32           HN       LEU  32  16.425  26.033  26.033
  188    HA   LEU  32           HA       LEU  32  19.048  24.958  24.958
  189   1HB   LEU  32           HB2      LEU  32  16.541  23.308  23.308
  190   2HB   LEU  32           HB1      LEU  32  18.081  22.713  22.713
  191    HG   LEU  32           HG       LEU  32  18.292  24.183  24.183
  192   1HD1  LEU  32          HD13      LEU  32  16.080  22.915  22.915
  193   2HD1  LEU  32          HD12      LEU  32  17.026  21.434  21.434
  194   3HD1  LEU  32          HD11      LEU  32  17.288  22.515  22.515
  195   1HD2  LEU  32          HD21      LEU  32  19.259  21.515  21.515
  196   2HD2  LEU  32          HD23      LEU  32  20.192  23.004  23.004
  197   3HD2  LEU  32          HD22      LEU  32  19.683  22.146  22.146
  198    H    GLN  33           HN       GLN  33  19.225  24.979  24.979
  199    HA   GLN  33           HA       GLN  33  16.982  26.054  26.054
  200   1HB   GLN  33           HB2      GLN  33  19.449  26.654  26.654
  201   2HB   GLN  33           HB1      GLN  33  19.631  25.065  25.065
  202   1HG   GLN  33           HG2      GLN  33  17.346  26.136  26.136
  203   2HG   GLN  33           HG1      GLN  33  18.465  27.495  27.495
  204   1HE2  GLN  33          HE22      GLN  33  19.917  26.232  26.232
  205   2HE2  GLN  33          HE21      GLN  33  19.059  27.506  27.506
  206    H    ILE  34           HN       ILE  34  15.571  24.835  24.835
  207    HA   ILE  34           HA       ILE  34  15.855  21.914  21.914
  208    HB   ILE  34           HB       ILE  34  13.729  23.663  23.663
  209   1HG1  ILE  34          HG12      ILE  34  13.718  24.048  24.048
  210   2HG1  ILE  34          HG11      ILE  34  12.418  22.903  22.903
  211   1HG2  ILE  34          HG23      ILE  34  14.205  21.069  21.069
  212   2HG2  ILE  34          HG22      ILE  34  13.224  20.859  20.859
  213   3HG2  ILE  34          HG21      ILE  34  12.575  21.741  21.741
  214   1HD1  ILE  34          HD11      ILE  34  13.951  21.034  21.034
  215   2HD1  ILE  34          HD13      ILE  34  15.202  22.212  22.212
  216   3HD1  ILE  34          HD12      ILE  34  13.717  22.150  22.150
  217    H    VAL  35           HN       VAL  35  16.706  20.730  20.730
  218    HA   VAL  35           HA       VAL  35  17.525  22.146  22.146
  219    HB   VAL  35           HB       VAL  35  18.107  19.369  19.369
  220   1HG1  VAL  35          HG12      VAL  35  18.181  20.330  20.330
  221   2HG1  VAL  35          HG11      VAL  35  19.841  20.121  20.121
  222   3HG1  VAL  35          HG13      VAL  35  18.714  18.765  18.765
  223   1HG2  VAL  35          HG22      VAL  35  19.198  21.470  21.470
  224   2HG2  VAL  35          HG21      VAL  35  20.289  20.205  20.205
  225   3HG2  VAL  35          HG23      VAL  35  20.021  21.644  21.644
  226    H    ASN  36           HN       ASN  36  15.467  19.443  19.443
  227    HA   ASN  36           HA       ASN  36  13.770  19.824  19.824
  228   1HB   ASN  36           HB2      ASN  36  15.933  18.167  18.167
  229   2HB   ASN  36           HB1      ASN  36  14.682  17.025  17.025
  230   1HD2  ASN  36          HD22      ASN  36  14.586  18.061  18.061
  231   2HD2  ASN  36          HD21      ASN  36  15.949  17.855  17.855
  232    H    ASN  37           HN       ASN  37  12.235  17.633  17.633
  233    HA   ASN  37           HA       ASN  37  11.719  16.692  16.692
  234   1HB   ASN  37           HB2      ASN  37   9.320  17.543  17.543
  235   2HB   ASN  37           HB1      ASN  37  10.548  18.778  18.778
  236   1HD2  ASN  37          HD22      ASN  37   9.201  20.564  20.564
  237   2HD2  ASN  37          HD21      ASN  37   9.623  20.571  20.571
  238    H    THR  38           HN       THR  38  12.417  15.179  15.179
  239    HA   THR  38           HA       THR  38   9.843  13.800  13.800
  240    HB   THR  38           HB       THR  38  10.554  14.922  14.922
  241    HG1  THR  38           HG1      THR  38  11.245  12.916  12.916
  242   1HG2  THR  38          HG23      THR  38  13.230  13.603  13.603
  243   2HG2  THR  38          HG22      THR  38  12.813  14.464  14.464
  244   3HG2  THR  38          HG21      THR  38  12.885  15.331  15.331
  245    H    GLU  39           HN       GLU  39  11.538  13.153  13.153
  246    HA   GLU  39           HA       GLU  39  12.793  10.611  10.611
  247   1HB   GLU  39           HB2      GLU  39  13.830  12.701  12.701
  248   2HB   GLU  39           HB1      GLU  39  13.645  11.258  11.258
  249   1HG   GLU  39           HG2      GLU  39  14.684  10.367  10.367
  250   2HG   GLU  39           HG1      GLU  39  15.612  11.804  11.804
  251    H    GLY  40           HN       GLY  40  10.412  12.053  12.053
  252   1HA   GLY  40           HA2      GLY  40   8.580  10.409  10.409
  253   2HA   GLY  40           HA1      GLY  40   9.877   9.374   9.374
  254    H    ASP  41           HN       ASP  41  10.920   9.943   9.943
  255    HA   ASP  41           HA       ASP  41   9.624  12.182  12.182
  256   1HB   ASP  41           HB2      ASP  41  10.633   9.691   9.691
  257   2HB   ASP  41           HB1      ASP  41   9.436  10.857  10.857
  258    H    TRP  42           HN       TRP  42  12.172  12.076  12.076
  259    HA   TRP  42           HA       TRP  42  13.886  13.181  13.181
  260   1HB   TRP  42           HB2      TRP  42  14.584  10.657  10.657
  261   2HB   TRP  42           HB1      TRP  42  15.828  11.696  11.696
  262    HD1  TRP  42           HD1      TRP  42  13.180   9.126   9.126
  263    HE1  TRP  42           HE1      TRP  42  13.374   8.807   8.807
  264    HE3  TRP  42           HE3      TRP  42  16.303  12.833  12.833
  265    HZ2  TRP  42           HZ2      TRP  42  14.772  10.061  10.061
  266    HZ3  TRP  42           HZ3      TRP  42  17.093  13.311  13.311
  267    HH2  TRP  42           HH2      TRP  42  16.328  11.925  11.925
  268    H    TRP  43           HN       TRP  43  14.200  15.124  15.124
  269    HA   TRP  43           HA       TRP  43  14.881  15.107  15.107
  270   1HB   TRP  43           HB2      TRP  43  14.223  17.497  17.497
  271   2HB   TRP  43           HB1      TRP  43  14.275  17.441  17.441
  272    HD1  TRP  43           HD1      TRP  43  12.617  14.718  14.718
  273    HE1  TRP  43           HE1      TRP  43  10.144  14.796  14.796
  274    HE3  TRP  43           HE3      TRP  43  12.578  18.680  18.680
  275    HZ2  TRP  43           HZ2      TRP  43   8.282  16.441  16.441
  276    HZ3  TRP  43           HZ3      TRP  43  10.515  19.538  19.538
  277    HH2  TRP  43           HH2      TRP  43   8.367  18.421  18.421
  278    H    LEU  44           HN       LEU  44  16.611  16.746  16.746
  279    HA   LEU  44           HA       LEU  44  18.873  16.488  16.488
  280   1HB   LEU  44           HB2      LEU  44  19.172  15.735  15.735
  281   2HB   LEU  44           HB1      LEU  44  18.894  17.395  17.395
  282    HG   LEU  44           HG       LEU  44  20.800  18.009  18.009
  283   1HD1  LEU  44          HD12      LEU  44  20.678  15.538  15.538
  284   2HD1  LEU  44          HD11      LEU  44  21.700  15.192  15.192
  285   3HD1  LEU  44          HD13      LEU  44  22.248  16.324  16.324
  286   1HD2  LEU  44          HD23      LEU  44  21.154  16.533  16.533
  287   2HD2  LEU  44          HD22      LEU  44  21.204  18.274  18.274
  288   3HD2  LEU  44          HD21      LEU  44  22.525  17.249  17.249
  289    H    ALA  45           HN       ALA  45  19.180  18.208  18.208
  290    HA   ALA  45           HA       ALA  45  18.347  20.901  20.901
  291   1HB   ALA  45           HB3      ALA  45  18.770  19.722  19.722
  292   2HB   ALA  45           HB2      ALA  45  18.732  21.468  21.468
  293   3HB   ALA  45           HB1      ALA  45  17.324  20.490  20.490
  294    H    HIS  46           HN       HIS  46  19.823  22.722  22.722
  295    HA   HIS  46           HA       HIS  46  22.676  21.905  21.905
  296   1HB   HIS  46           HB2      HIS  46  22.481  22.285  22.285
  297   2HB   HIS  46           HB1      HIS  46  21.420  23.674  23.674
  298    HD1  HIS  46           HD1      HIS  46  24.952  22.798  22.798
  299    HD2  HIS  46           HD2      HIS  46  22.741  26.063  26.063
  300    HE1  HIS  46           HE1      HIS  46  26.539  24.652  24.652
  301    H    SER  47           HN       SER  47  23.319  22.862  22.862
  302    HA   SER  47           HA       SER  47  22.005  25.105  25.105
  303   1HB   SER  47           HB2      SER  47  24.730  23.864  23.864
  304   2HB   SER  47           HB1      SER  47  24.127  25.206  25.206
  305    HG   SER  47           HG       SER  47  23.467  22.563  22.563
  306    H    LEU  48           HN       LEU  48  22.951  27.278  27.278
  307    HA   LEU  48           HA       LEU  48  24.415  28.155  28.155
  308   1HB   LEU  48           HB2      LEU  48  22.716  29.698  29.698
  309   2HB   LEU  48           HB1      LEU  48  23.586  30.434  30.434
  310    HG   LEU  48           HG       LEU  48  21.432  28.308  28.308
  311   1HD1  LEU  48          HD12      LEU  48  21.166  31.039  31.039
  312   2HD1  LEU  48          HD11      LEU  48  21.098  30.871  30.871
  313   3HD1  LEU  48          HD13      LEU  48  19.958  29.987  29.987
  314   1HD2  LEU  48          HD21      LEU  48  23.112  29.713  29.713
  315   2HD2  LEU  48          HD23      LEU  48  23.096  27.986  27.986
  316   3HD2  LEU  48          HD22      LEU  48  21.680  28.750  28.750
  317    H    THR  49           HN       THR  49  24.931  27.490  27.490
  318    HA   THR  49           HA       THR  49  26.676  29.608  29.608
  319    HB   THR  49           HB       THR  49  26.537  26.694  26.694
  320    HG1  THR  49           HG1      THR  49  25.659  29.160  29.160
  321   1HG2  THR  49          HG23      THR  49  28.617  28.676  28.676
  322   2HG2  THR  49          HG22      THR  49  27.885  28.086  28.086
  323   3HG2  THR  49          HG21      THR  49  28.607  26.948  26.948
  324    H    THR  50           HN       THR  50  28.193  26.462  26.462
  325    HA   THR  50           HA       THR  50  30.398  27.691  27.691
  326    HB   THR  50           HB       THR  50  30.823  26.251  26.251
  327    HG1  THR  50           HG1      THR  50  32.422  26.493  26.493
  328   1HG2  THR  50          HG23      THR  50  29.107  24.478  24.478
  329   2HG2  THR  50          HG22      THR  50  30.653  23.695  23.695
  330   3HG2  THR  50          HG21      THR  50  29.683  24.321  24.321
  331    H    GLY  51           HN       GLY  51  27.583  26.620  26.620
  332   1HA   GLY  51           HA2      GLY  51  26.837  25.787  25.787
  333   2HA   GLY  51           HA1      GLY  51  28.508  25.875  25.875
  334    H    GLN  52           HN       GLN  52  26.274  23.875  23.875
  335    HA   GLN  52           HA       GLN  52  27.939  21.511  21.511
  336   1HB   GLN  52           HB2      GLN  52  26.605  22.182  22.182
  337   2HB   GLN  52           HB1      GLN  52  26.967  20.512  20.512
  338   1HG   GLN  52           HG2      GLN  52  29.207  22.364  22.364
  339   2HG   GLN  52           HG1      GLN  52  28.729  22.234  22.234
  340   1HE2  GLN  52          HE22      GLN  52  30.302  18.958  18.958
  341   2HE2  GLN  52          HE21      GLN  52  29.743  20.275  20.275
  342    H    THR  53           HN       THR  53  26.690  19.512  19.512
  343    HA   THR  53           HA       THR  53  23.808  20.036  20.036
  344    HB   THR  53           HB       THR  53  25.896  19.219  19.219
  345    HG1  THR  53           HG1      THR  53  23.614  20.330  20.330
  346   1HG2  THR  53          HG22      THR  53  23.876  17.051  17.051
  347   2HG2  THR  53          HG21      THR  53  24.707  17.163  17.163
  348   3HG2  THR  53          HG23      THR  53  25.631  16.910  16.910
  349    H    GLY  54           HN       GLY  54  22.427  18.068  18.068
  350   1HA   GLY  54           HA2      GLY  54  23.279  15.616  15.616
  351   2HA   GLY  54           HA1      GLY  54  22.946  16.690  16.690
  352    H    TYR  55           HN       TYR  55  21.558  14.327  14.327
  353    HA   TYR  55           HA       TYR  55  19.003  15.250  15.250
  354   1HB   TYR  55           HB2      TYR  55  19.625  12.563  12.563
  355   2HB   TYR  55           HB1      TYR  55  18.301  12.946  12.946
  356    HD1  TYR  55           HD1      TYR  55  19.025  13.957  13.957
  357    HD2  TYR  55           HD2      TYR  55  21.621  11.715  11.715
  358    HE1  TYR  55           HE1      TYR  55  20.460  13.461  13.461
  359    HE2  TYR  55           HE2      TYR  55  23.058  11.222  11.222
  360    HH   TYR  55           HH       TYR  55  22.595  12.765  12.765
  361    H    ILE  56           HN       ILE  56  17.861  16.563  16.563
  362    HA   ILE  56           HA       ILE  56  17.736  15.895  15.895
  363    HB   ILE  56           HB       ILE  56  16.407  17.991  17.991
  364   1HG1  ILE  56          HG12      ILE  56  16.995  18.689  18.689
  365   2HG1  ILE  56          HG11      ILE  56  15.705  17.514  17.514
  366   1HG2  ILE  56          HG21      ILE  56  19.016  18.082  18.082
  367   2HG2  ILE  56          HG23      ILE  56  18.249  19.520  19.520
  368   3HG2  ILE  56          HG22      ILE  56  18.792  18.226  18.226
  369   1HD1  ILE  56          HD12      ILE  56  15.697  19.915  19.915
  370   2HD1  ILE  56          HD11      ILE  56  15.262  20.166  20.166
  371   3HD1  ILE  56          HD13      ILE  56  14.341  19.032  19.032
  372    HA   PRO  57           HA       PRO  57  14.015  13.597  13.597
  373   1HB   PRO  57           HB2      PRO  57  12.964  14.725  14.725
  374   2HB   PRO  57           HB1      PRO  57  13.746  13.156  13.156
  375   1HG   PRO  57           HG2      PRO  57  14.823  15.490  15.490
  376   2HG   PRO  57           HG1      PRO  57  15.612  13.928  13.928
  377   1HD   PRO  57           HD1      PRO  57  16.168  16.428  16.428
  378   2HD   PRO  57           HD2      PRO  57  16.981  14.867  14.867
  379    H    SER  58           HN       SER  58  11.831  13.921  13.921
  380    HA   SER  58           HA       SER  58  11.156  16.684  16.684
  381   1HB   SER  58           HB2      SER  58   9.984  15.690  15.690
  382   2HB   SER  58           HB1      SER  58  10.637  14.153  14.153
  383    HG   SER  58           HG       SER  58   8.848  13.830  13.830
  384    H    ASN  59           HN       ASN  59  10.264  14.339  14.339
  385    HA   ASN  59           HA       ASN  59   7.871  15.884  15.884
  386   1HB   ASN  59           HB2      ASN  59   8.464  13.214  13.214
  387   2HB   ASN  59           HB1      ASN  59   8.830  13.741  13.741
  388   1HD2  ASN  59          HD22      ASN  59   5.423  13.833  13.833
  389   2HD2  ASN  59          HD21      ASN  59   7.034  13.613  13.613
  390    H    TYR  60           HN       TYR  60  10.760  16.885  16.885
  391    HA   TYR  60           HA       TYR  60  10.559  17.637  17.637
  392   1HB   TYR  60           HB2      TYR  60  12.909  16.593  16.593
  393   2HB   TYR  60           HB1      TYR  60  13.191  17.774  17.774
  394    HD1  TYR  60           HD2      TYR  60  11.129  14.684  14.684
  395    HD2  TYR  60           HD1      TYR  60  13.564  16.907  16.907
  396    HE1  TYR  60           HE2      TYR  60  10.882  12.919  12.919
  397    HE2  TYR  60           HE1      TYR  60  13.320  15.139  15.139
  398    HH   TYR  60           HH       TYR  60  12.629  13.040  13.040
  399    H    VAL  61           HN       VAL  61  10.492  18.713  18.713
  400    HA   VAL  61           HA       VAL  61  11.316  21.443  21.443
  401    HB   VAL  61           HB       VAL  61  13.151  20.821  20.821
  402   1HG1  VAL  61          HG11      VAL  61  11.078  19.294  19.294
  403   2HG1  VAL  61          HG13      VAL  61  12.501  19.839  19.839
  404   3HG1  VAL  61          HG12      VAL  61  12.685  18.788  18.788
  405   1HG2  VAL  61          HG22      VAL  61  12.152  22.963  22.963
  406   2HG2  VAL  61          HG21      VAL  61  12.924  22.119  22.119
  407   3HG2  VAL  61          HG23      VAL  61  11.169  22.093  22.093
  408    H    ALA  62           HN       ALA  62  10.390  23.126  23.126
  409    HA   ALA  62           HA       ALA  62   8.061  22.349  22.349
  410   1HB   ALA  62           HB3      ALA  62   7.731  23.814  23.814
  411   2HB   ALA  62           HB2      ALA  62   6.483  23.740  23.740
  412   3HB   ALA  62           HB1      ALA  62   7.023  22.261  22.261
  413    HA   PRO  63           HA       PRO  63   9.267  26.011  26.011
  414   1HB   PRO  63           HB2      PRO  63   6.596  26.586  26.586
  415   2HB   PRO  63           HB1      PRO  63   7.904  25.824  25.824
  416   1HG   PRO  63           HG2      PRO  63   5.525  24.575  24.575
  417   2HG   PRO  63           HG1      PRO  63   6.822  23.817  23.817
  418   1HD   PRO  63           HD1      PRO  63   6.273  23.534  23.534
  419   2HD   PRO  63           HD2      PRO  63   7.581  22.782  22.782
  420    H    SER  64           HN       SER  64   9.712  27.721  27.721
  421    HA   SER  64           HA       SER  64   7.665  29.655  29.655
  422   1HB   SER  64           HB2      SER  64   7.577  29.439  29.439
  423   2HB   SER  64           HB1      SER  64   7.157  27.876  27.876
  424    HG   SER  64           HG       SER  64   9.391  28.647  28.647
  425   1H    ALA  71           HT1      ALA  71   9.780  17.500  17.500
  426   2H    ALA  71           HT3      ALA  71  10.108  19.153  19.153
  427   3H    ALA  71           HT2      ALA  71   8.834  18.426  18.426
  428    HA   ALA  71           HA       ALA  71  10.601  18.680  18.680
  429   1HB   ALA  71           HB1      ALA  71  12.325  18.929  18.929
  430   2HB   ALA  71           HB3      ALA  71  12.344  17.169  17.169
  431   3HB   ALA  71           HB2      ALA  71  12.847  17.961  17.961
  432    H    PHE  72           HN       PHE  72   8.483  16.959  16.959
  433    HA   PHE  72           HA       PHE  72   9.597  14.228  14.228
  434   1HB   PHE  72           HB2      PHE  72   7.603  14.466  14.466
  435   2HB   PHE  72           HB1      PHE  72   6.712  15.162  15.162
  436    HD1  PHE  72           HD2      PHE  72   9.159  12.352  12.352
  437    HD2  PHE  72           HD1      PHE  72   5.068  13.488  13.488
  438    HE1  PHE  72           HE2      PHE  72   8.596  10.097  10.097
  439    HE2  PHE  72           HE1      PHE  72   4.509  11.232  11.232
  440    HZ   PHE  72           HZ       PHE  72   6.272   9.534   9.534
  441    H    ALA  73           HN       ALA  73  10.523  14.397  14.397
  442    HA   ALA  73           HA       ALA  73   8.957  15.542  15.542
  443   1HB   ALA  73           HB3      ALA  73  11.654  14.165  14.165
  444   2HB   ALA  73           HB2      ALA  73  10.935  14.800  14.800
  445   3HB   ALA  73           HB1      ALA  73  11.350  15.894  15.894
  446    HA   PRO  74           HA       PRO  74   6.911  11.855  11.855
  447   1HB   PRO  74           HB2      PRO  74   7.133  12.440  12.440
  448   2HB   PRO  74           HB1      PRO  74   5.731  12.675  12.675
  449   1HG   PRO  74           HG2      PRO  74   7.469  14.698  14.698
  450   2HG   PRO  74           HG1      PRO  74   6.067  14.932  14.932
  451   1HD   PRO  74           HD1      PRO  74   8.860  15.219  15.219
  452   2HD   PRO  74           HD2      PRO  74   7.454  15.463  15.463
  453    HA   PRO  75           HA       PRO  75  10.107   8.989   8.989
  454   1HB   PRO  75           HB2      PRO  75   8.298   7.169   7.169
  455   2HB   PRO  75           HB1      PRO  75   8.954   7.063   7.063
  456   1HG   PRO  75           HG2      PRO  75   6.258   7.734   7.734
  457   2HG   PRO  75           HG1      PRO  75   6.915   7.634   7.634
  458   1HD   PRO  75           HD1      PRO  75   6.196  10.006  10.006
  459   2HD   PRO  75           HD2      PRO  75   6.851   9.906   9.906
  460    H    LEU  76           HN       LEU  76  11.509   9.081   9.081
  461    HA   LEU  76           HA       LEU  76  10.830  10.260  10.260
  462   1HB   LEU  76           HB2      LEU  76  13.166   8.817   8.817
  463   2HB   LEU  76           HB1      LEU  76  13.044   8.828   8.828
  464    HG   LEU  76           HG       LEU  76  12.527  11.420  11.420
  465   1HD1  LEU  76          HD13      LEU  76  14.472  10.405  10.405
  466   2HD1  LEU  76          HD12      LEU  76  15.348  10.345  10.345
  467   3HD1  LEU  76          HD11      LEU  76  14.859  11.899  11.899
  468   1HD2  LEU  76          HD22      LEU  76  13.135  10.430  10.430
  469   2HD2  LEU  76          HD21      LEU  76  12.887  12.110  12.110
  470   3HD2  LEU  76          HD23      LEU  76  14.509  11.417  11.417
  471    HA   PRO  77           HA       PRO  77   8.704   6.903   6.903
  472   1HB   PRO  77           HB2      PRO  77   9.332   7.913   7.913
  473   2HB   PRO  77           HB1      PRO  77   7.813   8.077   8.077
  474   1HG   PRO  77           HG2      PRO  77   9.791  10.120  10.120
  475   2HG   PRO  77           HG1      PRO  77   8.258  10.291  10.291
  476   1HD   PRO  77           HD1      PRO  77  10.921  10.285  10.285
  477   2HD   PRO  77           HD2      PRO  77   9.382  10.451  10.451
  478    H    ARG  78           HN       ARG  78   9.326   5.635   5.635
  479    HA   ARG  78           HA       ARG  78  12.038   4.556   4.556
  480   1HB   ARG  78           HB2      ARG  78   9.921   3.088   3.088
  481   2HB   ARG  78           HB1      ARG  78  10.020   3.392   3.392
  482   1HG   ARG  78           HG2      ARG  78  11.916   2.122   2.122
  483   2HG   ARG  78           HG1      ARG  78  12.538   2.550   2.550
  484   1HD   ARG  78           HD2      ARG  78  11.950   0.268   0.268
  485   2HD   ARG  78           HD1      ARG  78  10.584   1.127   1.127
  486    HE   ARG  78           HE       ARG  78   9.239   0.364   0.364
  487   1HH1  ARG  78          HH21      ARG  78  12.611   0.015   0.015
  488   2HH1  ARG  78          HH22      ARG  78  12.360  -0.888  -0.888
  489   1HH2  ARG  78          HH11      ARG  78   8.901  -0.814  -0.814
  490   2HH2  ARG  78          HH12      ARG  78  10.262  -1.356  -1.356
  491    H    ARG  79           HN       ARG  79  13.650   4.540   4.540
  492    HA   ARG  79           HA       ARG  79  12.974   5.845   5.845
  493   1HB   ARG  79           HB2      ARG  79  14.933   7.235   7.235
  494   2HB   ARG  79           HB1      ARG  79  14.072   7.444   7.444
  495   1HG   ARG  79           HG2      ARG  79  15.564   5.851   5.851
  496   2HG   ARG  79           HG1      ARG  79  16.384   5.527   5.527
  497   1HD   ARG  79           HD2      ARG  79  17.074   7.906   7.906
  498   2HD   ARG  79           HD1      ARG  79  16.289   8.199   8.199
  499    HE   ARG  79           HE       ARG  79  18.030   6.120   6.120
  500   1HH1  ARG  79          HH21      ARG  79  18.261   9.246   9.246
  501   2HH1  ARG  79          HH22      ARG  79  19.896   9.503   9.503
  502   1HH2  ARG  79          HH11      ARG  79  20.162   6.447   6.447
  503   2HH2  ARG  79          HH12      ARG  79  20.971   7.922   7.922

  Start of MODEL   14
    1   1H    THR   9           HT1      THR   9  13.236  27.740  27.740
    2   2H    THR   9           HT3      THR   9  12.781  29.375  29.375
    3   3H    THR   9           HT2      THR   9  14.347  28.913  28.913
    4    HA   THR   9           HA       THR   9  15.066  28.584  28.584
    5    HB   THR   9           HB       THR   9  13.023  30.517  30.517
    6    HG1  THR   9           HG1      THR   9  13.364  31.967  31.967
    7   1HG2  THR   9          HG23      THR   9  15.949  30.091  30.091
    8   2HG2  THR   9          HG22      THR   9  15.439  31.777  31.777
    9   3HG2  THR   9          HG21      THR   9  14.883  30.749  30.749
   10    H    PHE  10           HN       PHE  10  14.704  26.866  26.866
   11    HA   PHE  10           HA       PHE  10  11.927  26.486  26.486
   12   1HB   PHE  10           HB2      PHE  10  14.067  24.555  24.555
   13   2HB   PHE  10           HB1      PHE  10  12.943  24.082  24.082
   14    HD1  PHE  10           HD2      PHE  10  12.482  26.135  26.135
   15    HD2  PHE  10           HD1      PHE  10  11.328  22.647  22.647
   16    HE1  PHE  10           HE2      PHE  10  10.748  25.669  25.669
   17    HE2  PHE  10           HE1      PHE  10   9.590  22.190  22.190
   18    HZ   PHE  10           HZ       PHE  10   9.303  23.697  23.697
   19    H    VAL  11           HN       VAL  11  11.710  25.974  25.974
   20    HA   VAL  11           HA       VAL  11  14.107  26.741  26.741
   21    HB   VAL  11           HB       VAL  11  11.246  26.804  26.804
   22   1HG1  VAL  11          HG11      VAL  11  13.902  27.889  27.889
   23   2HG1  VAL  11          HG13      VAL  11  12.428  28.743  28.743
   24   3HG1  VAL  11          HG12      VAL  11  12.665  27.066  27.066
   25   1HG2  VAL  11          HG21      VAL  11  11.670  28.177  28.177
   26   2HG2  VAL  11          HG23      VAL  11  11.001  29.039  29.039
   27   3HG2  VAL  11          HG22      VAL  11  12.716  29.182  29.182
   28    H    ALA  12           HN       ALA  12  14.517  25.524  25.524
   29    HA   ALA  12           HA       ALA  12  13.803  22.697  22.697
   30   1HB   ALA  12           HB2      ALA  12  16.072  23.616  23.616
   31   2HB   ALA  12           HB1      ALA  12  15.289  23.977  23.977
   32   3HB   ALA  12           HB3      ALA  12  15.393  22.310  22.310
   33    H    LEU  13           HN       LEU  13  11.898  21.975  21.975
   34    HA   LEU  13           HA       LEU  13  10.472  23.458  23.458
   35   1HB   LEU  13           HB2      LEU  13   9.825  21.118  21.118
   36   2HB   LEU  13           HB1      LEU  13   8.826  21.461  21.461
   37    HG   LEU  13           HG       LEU  13   9.440  23.387  23.387
   38   1HD1  LEU  13          HD12      LEU  13   7.139  21.609  21.609
   39   2HD1  LEU  13          HD11      LEU  13   6.781  23.189  23.189
   40   3HD1  LEU  13          HD13      LEU  13   7.780  22.038  22.038
   41   1HD2  LEU  13          HD23      LEU  13   8.240  23.708  23.708
   42   2HD2  LEU  13          HD22      LEU  13   9.156  24.864  24.864
   43   3HD2  LEU  13          HD21      LEU  13   7.456  24.562  24.562
   44    H    TYR  14           HN       TYR  14  12.130  20.340  20.340
   45    HA   TYR  14           HA       TYR  14  11.969  20.034  20.034
   46   1HB   TYR  14           HB2      TYR  14  11.660  17.906  17.906
   47   2HB   TYR  14           HB1      TYR  14  11.939  17.542  17.542
   48    HD1  TYR  14           HD2      TYR  14   9.768  19.797  19.797
   49    HD2  TYR  14           HD1      TYR  14  10.023  17.197  17.197
   50    HE1  TYR  14           HE2      TYR  14   7.399  20.195  20.195
   51    HE2  TYR  14           HE1      TYR  14   7.644  17.571  17.571
   52    HH   TYR  14           HH       TYR  14   5.508  18.734  18.734
   53    H    ASP  15           HN       ASP  15  13.863  19.258  19.258
   54    HA   ASP  15           HA       ASP  15  16.345  19.819  19.819
   55   1HB   ASP  15           HB2      ASP  15  17.314  18.599  18.599
   56   2HB   ASP  15           HB1      ASP  15  16.226  19.924  19.924
   57    H    TYR  16           HN       TYR  16  16.627  18.622  18.622
   58    HA   TYR  16           HA       TYR  16  16.098  15.785  15.785
   59   1HB   TYR  16           HB2      TYR  16  16.093  17.159  17.159
   60   2HB   TYR  16           HB1      TYR  16  17.777  17.612  17.612
   61    HD1  TYR  16           HD2      TYR  16  15.653  14.551  14.551
   62    HD2  TYR  16           HD1      TYR  16  19.439  16.337  16.337
   63    HE1  TYR  16           HE2      TYR  16  16.345  12.562  12.562
   64    HE2  TYR  16           HE1      TYR  16  20.142  14.336  14.336
   65    HH   TYR  16           HH       TYR  16  19.049  12.469  12.469
   66    H    GLU  17           HN       GLU  17  17.245  14.418  14.418
   67    HA   GLU  17           HA       GLU  17  20.135  14.935  14.935
   68   1HB   GLU  17           HB2      GLU  17  17.998  13.576  13.576
   69   2HB   GLU  17           HB1      GLU  17  19.462  12.601  12.601
   70   1HG   GLU  17           HG2      GLU  17  19.637  15.514  15.514
   71   2HG   GLU  17           HG1      GLU  17  19.233  14.310  14.310
   72    H    SER  18           HN       SER  18  20.689  14.371  14.371
   73    HA   SER  18           HA       SER  18  20.136  12.124  12.124
   74   1HB   SER  18           HB2      SER  18  22.930  12.273  12.273
   75   2HB   SER  18           HB1      SER  18  21.771  13.115  13.115
   76    HG   SER  18           HG       SER  18  23.404  14.391  14.391
   77    H    ARG  19           HN       ARG  19  19.726  10.200  10.200
   78    HA   ARG  19           HA       ARG  19  21.611   9.166   9.166
   79   1HB   ARG  19           HB2      ARG  19  18.997   8.246   8.246
   80   2HB   ARG  19           HB1      ARG  19  20.008   7.101   7.101
   81   1HG   ARG  19           HG2      ARG  19  19.658   9.726   9.726
   82   2HG   ARG  19           HG1      ARG  19  18.189   8.761   8.761
   83   1HD   ARG  19           HD2      ARG  19  20.715   7.435   7.435
   84   2HD   ARG  19           HD1      ARG  19  19.811   8.436   8.436
   85    HE   ARG  19           HE       ARG  19  18.135   6.502   6.502
   86   1HH1  ARG  19          HH21      ARG  19  20.271   7.108   7.108
   87   2HH1  ARG  19          HH22      ARG  19  19.611   5.850   5.850
   88   1HH2  ARG  19          HH11      ARG  19  17.269   4.857   4.857
   89   2HH2  ARG  19          HH12      ARG  19  17.915   4.575   4.575
   90    H    THR  20           HN       THR  20  21.969   9.449   9.449
   91    HA   THR  20           HA       THR  20  23.219   6.745   6.745
   92    HB   THR  20           HB       THR  20  21.529   6.753   6.753
   93    HG1  THR  20           HG1      THR  20  22.689   7.344   7.344
   94   1HG2  THR  20          HG21      THR  20  20.910   9.148   9.148
   95   2HG2  THR  20          HG23      THR  20  22.231   9.626   9.626
   96   3HG2  THR  20          HG22      THR  20  20.875   8.698   8.698
   97    H    GLU  21           HN       GLU  21  25.202   6.751   6.751
   98    HA   GLU  21           HA       GLU  21  26.847   9.108   9.108
   99   1HB   GLU  21           HB2      GLU  21  28.641   7.655   7.655
  100   2HB   GLU  21           HB1      GLU  21  27.900   6.990   6.990
  101   1HG   GLU  21           HG2      GLU  21  26.371   6.258   6.258
  102   2HG   GLU  21           HG1      GLU  21  28.056   5.771   5.771
  103    H    THR  22           HN       THR  22  24.810   9.721   9.721
  104    HA   THR  22           HA       THR  22  26.469  10.399  10.399
  105    HB   THR  22           HB       THR  22  23.651   9.389   9.389
  106    HG1  THR  22           HG1      THR  22  25.041   7.786   7.786
  107   1HG2  THR  22          HG23      THR  22  25.712  10.499  10.499
  108   2HG2  THR  22          HG22      THR  22  25.434   8.829   8.829
  109   3HG2  THR  22          HG21      THR  22  24.095   9.975   9.975
  110    H    ASP  23           HN       ASP  23  22.988  10.689  10.689
  111    HA   ASP  23           HA       ASP  23  22.799  13.386  13.386
  112   1HB   ASP  23           HB2      ASP  23  21.074  12.107  12.107
  113   2HB   ASP  23           HB1      ASP  23  20.629  13.419  13.419
  114    H    LEU  24           HN       LEU  24  22.924  15.356  15.356
  115    HA   LEU  24           HA       LEU  24  24.534  15.244  15.244
  116   1HB   LEU  24           HB2      LEU  24  23.754  17.396  17.396
  117   2HB   LEU  24           HB1      LEU  24  24.323  17.843  17.843
  118    HG   LEU  24           HG       LEU  24  26.345  16.408  16.408
  119   1HD1  LEU  24          HD11      LEU  24  25.092  16.185  16.185
  120   2HD1  LEU  24          HD13      LEU  24  26.788  15.824  15.824
  121   3HD1  LEU  24          HD12      LEU  24  25.523  14.870  14.870
  122   1HD2  LEU  24          HD23      LEU  24  25.654  18.817  18.817
  123   2HD2  LEU  24          HD22      LEU  24  26.906  18.607  18.607
  124   3HD2  LEU  24          HD21      LEU  24  27.147  17.973  17.973
  125    H    SER  25           HN       SER  25  23.884  16.728  16.728
  126    HA   SER  25           HA       SER  25  20.951  16.463  16.463
  127   1HB   SER  25           HB2      SER  25  22.356  17.224  17.224
  128   2HB   SER  25           HB1      SER  25  21.558  15.693  15.693
  129    HG   SER  25           HG       SER  25  24.235  16.430  16.430
  130    H    PHE  26           HN       PHE  26  19.715  18.276  18.276
  131    HA   PHE  26           HA       PHE  26  21.158  20.866  20.866
  132   1HB   PHE  26           HB2      PHE  26  19.467  21.935  21.935
  133   2HB   PHE  26           HB1      PHE  26  20.471  20.762  20.762
  134    HD1  PHE  26           HD2      PHE  26  17.122  21.393  21.393
  135    HD2  PHE  26           HD1      PHE  26  19.512  18.683  18.683
  136    HE1  PHE  26           HE2      PHE  26  15.096  20.198  20.198
  137    HE2  PHE  26           HE1      PHE  26  17.482  17.496  17.496
  138    HZ   PHE  26           HZ       PHE  26  15.276  18.257  18.257
  139    H    LYS  27           HN       LYS  27  20.514  21.758  21.758
  140    HA   LYS  27           HA       LYS  27  18.233  20.809  20.809
  141   1HB   LYS  27           HB2      LYS  27  20.289  22.939  22.939
  142   2HB   LYS  27           HB1      LYS  27  18.792  23.135  23.135
  143   1HG   LYS  27           HG2      LYS  27  19.631  21.693  21.693
  144   2HG   LYS  27           HG1      LYS  27  19.476  20.428  20.428
  145   1HD   LYS  27           HD2      LYS  27  21.714  20.346  20.346
  146   2HD   LYS  27           HD1      LYS  27  21.842  22.103  22.103
  147   1HE   LYS  27           HE2      LYS  27  21.574  22.087  22.087
  148   2HE   LYS  27           HE1      LYS  27  21.824  20.343  20.343
  149   1HZ   LYS  27           HZ2      LYS  27  23.770  21.740  21.740
  150   2HZ   LYS  27           HZ1      LYS  27  23.767  22.282  22.282
  151   3HZ   LYS  27           HZ3      LYS  27  23.991  20.633  20.633
  152    H    LYS  28           HN       LYS  28  16.596  22.541  22.541
  153    HA   LYS  28           HA       LYS  28  15.194  23.592  23.592
  154   1HB   LYS  28           HB2      LYS  28  14.029  22.528  22.528
  155   2HB   LYS  28           HB1      LYS  28  14.496  23.927  23.927
  156   1HG   LYS  28           HG2      LYS  28  13.326  24.836  24.836
  157   2HG   LYS  28           HG1      LYS  28  12.238  23.675  23.675
  158   1HD   LYS  28           HD2      LYS  28  13.493  26.016  26.016
  159   2HD   LYS  28           HD1      LYS  28  11.880  26.056  26.056
  160   1HE   LYS  28           HE2      LYS  28  11.456  23.898  23.898
  161   2HE   LYS  28           HE1      LYS  28  12.882  24.388  24.388
  162   1HZ   LYS  28           HZ1      LYS  28  10.958  26.492  26.492
  163   2HZ   LYS  28           HZ3      LYS  28  10.393  25.232  25.232
  164   3HZ   LYS  28           HZ2      LYS  28  11.796  26.084  26.084
  165    H    GLY  29           HN       GLY  29  14.689  25.838  25.838
  166   1HA   GLY  29           HA2      GLY  29  14.877  28.189  28.189
  167   2HA   GLY  29           HA1      GLY  29  16.313  27.753  27.753
  168    H    GLU  30           HN       GLU  30  17.590  26.164  26.164
  169    HA   GLU  30           HA       GLU  30  18.849  28.254  28.254
  170   1HB   GLU  30           HB2      GLU  30  20.001  26.160  26.160
  171   2HB   GLU  30           HB1      GLU  30  19.059  25.255  25.255
  172   1HG   GLU  30           HG2      GLU  30  20.174  26.197  26.197
  173   2HG   GLU  30           HG1      GLU  30  20.588  27.664  27.664
  174    H    ARG  31           HN       ARG  31  19.047  28.022  28.022
  175    HA   ARG  31           HA       ARG  31  16.437  27.137  27.137
  176   1HB   ARG  31           HB2      ARG  31  18.022  29.616  29.616
  177   2HB   ARG  31           HB1      ARG  31  16.525  29.085  29.085
  178   1HG   ARG  31           HG2      ARG  31  15.299  30.056  30.056
  179   2HG   ARG  31           HG1      ARG  31  16.178  29.169  29.169
  180   1HD   ARG  31           HD2      ARG  31  16.914  31.239  31.239
  181   2HD   ARG  31           HD1      ARG  31  18.043  31.029  31.029
  182    HE   ARG  31           HE       ARG  31  15.764  32.106  32.106
  183   1HH1  ARG  31          HH21      ARG  31  17.898  32.918  32.918
  184   2HH1  ARG  31          HH22      ARG  31  17.686  34.626  34.626
  185   1HH2  ARG  31          HH11      ARG  31  15.483  34.331  34.331
  186   2HH2  ARG  31          HH12      ARG  31  16.322  35.425  35.425
  187    H    LEU  32           HN       LEU  32  16.738  25.638  25.638
  188    HA   LEU  32           HA       LEU  32  19.408  25.517  25.517
  189   1HB   LEU  32           HB2      LEU  32  17.398  23.418  23.418
  190   2HB   LEU  32           HB1      LEU  32  18.493  23.115  23.115
  191    HG   LEU  32           HG       LEU  32  20.290  24.019  24.019
  192   1HD1  LEU  32          HD11      LEU  32  18.035  24.030  24.030
  193   2HD1  LEU  32          HD13      LEU  32  18.738  22.459  22.459
  194   3HD1  LEU  32          HD12      LEU  32  19.684  23.929  23.929
  195   1HD2  LEU  32          HD21      LEU  32  19.102  21.257  21.257
  196   2HD2  LEU  32          HD23      LEU  32  20.589  21.886  21.886
  197   3HD2  LEU  32          HD22      LEU  32  20.511  21.554  21.554
  198    H    GLN  33           HN       GLN  33  19.398  25.293  25.293
  199    HA   GLN  33           HA       GLN  33  16.746  26.127  26.127
  200   1HB   GLN  33           HB2      GLN  33  19.549  26.368  26.368
  201   2HB   GLN  33           HB1      GLN  33  18.115  26.721  26.721
  202   1HG   GLN  33           HG2      GLN  33  19.441  28.559  28.559
  203   2HG   GLN  33           HG1      GLN  33  17.773  28.713  28.713
  204   1HE2  GLN  33          HE22      GLN  33  18.571  27.969  27.969
  205   2HE2  GLN  33          HE21      GLN  33  19.821  28.018  28.018
  206    H    ILE  34           HN       ILE  34  15.657  24.243  24.243
  207    HA   ILE  34           HA       ILE  34  16.450  21.707  21.707
  208    HB   ILE  34           HB       ILE  34  14.122  23.125  23.125
  209   1HG1  ILE  34          HG12      ILE  34  13.993  23.479  23.479
  210   2HG1  ILE  34          HG11      ILE  34  12.851  22.199  22.199
  211   1HG2  ILE  34          HG23      ILE  34  14.779  20.222  20.222
  212   2HG2  ILE  34          HG22      ILE  34  13.153  20.773  20.773
  213   3HG2  ILE  34          HG21      ILE  34  14.467  20.969  20.969
  214   1HD1  ILE  34          HD13      ILE  34  15.217  20.819  20.819
  215   2HD1  ILE  34          HD12      ILE  34  15.245  22.082  22.082
  216   3HD1  ILE  34          HD11      ILE  34  13.882  20.966  20.966
  217    H    VAL  35           HN       VAL  35  16.380  20.540  20.540
  218    HA   VAL  35           HA       VAL  35  17.620  22.192  22.192
  219    HB   VAL  35           HB       VAL  35  18.203  19.364  19.364
  220   1HG1  VAL  35          HG11      VAL  35  18.792  20.763  20.763
  221   2HG1  VAL  35          HG13      VAL  35  19.905  19.546  19.546
  222   3HG1  VAL  35          HG12      VAL  35  18.234  19.112  19.112
  223   1HG2  VAL  35          HG23      VAL  35  19.610  22.002  22.002
  224   2HG2  VAL  35          HG22      VAL  35  19.611  20.729  20.729
  225   3HG2  VAL  35          HG21      VAL  35  20.585  20.552  20.552
  226    H    ASN  36           HN       ASN  36  15.579  19.374  19.374
  227    HA   ASN  36           HA       ASN  36  13.661  19.921  19.921
  228   1HB   ASN  36           HB2      ASN  36  15.906  19.250  19.250
  229   2HB   ASN  36           HB1      ASN  36  15.290  17.627  17.627
  230   1HD2  ASN  36          HD22      ASN  36  13.035  17.883  17.883
  231   2HD2  ASN  36          HD21      ASN  36  14.072  16.914  16.914
  232    H    ASN  37           HN       ASN  37  13.273  17.108  17.108
  233    HA   ASN  37           HA       ASN  37  12.387  15.097  15.097
  234   1HB   ASN  37           HB2      ASN  37  13.331  15.965  15.965
  235   2HB   ASN  37           HB1      ASN  37  13.039  14.325  14.325
  236   1HD2  ASN  37          HD22      ASN  37  16.674  14.622  14.622
  237   2HD2  ASN  37          HD21      ASN  37  15.478  14.347  14.347
  238    H    THR  38           HN       THR  38  10.969  17.735  17.735
  239    HA   THR  38           HA       THR  38   9.314  18.078  18.078
  240    HB   THR  38           HB       THR  38   9.470  19.600  19.600
  241    HG1  THR  38           HG1      THR  38   7.400  20.303  20.303
  242   1HG2  THR  38          HG23      THR  38   8.847  17.408  17.408
  243   2HG2  THR  38          HG22      THR  38   7.227  18.073  18.073
  244   3HG2  THR  38          HG21      THR  38   8.483  19.041  19.041
  245    H    GLU  39           HN       GLU  39   9.405  15.501  15.501
  246    HA   GLU  39           HA       GLU  39   6.619  14.684  14.684
  247   1HB   GLU  39           HB2      GLU  39   8.787  13.834  13.834
  248   2HB   GLU  39           HB1      GLU  39   7.626  12.600  12.600
  249   1HG   GLU  39           HG2      GLU  39   6.047  13.473  13.473
  250   2HG   GLU  39           HG1      GLU  39   6.255  15.069  15.069
  251    H    GLY  40           HN       GLY  40   9.760  13.002  13.002
  252   1HA   GLY  40           HA2      GLY  40   8.968  10.890  10.890
  253   2HA   GLY  40           HA1      GLY  40  10.587  11.588  11.588
  254    H    ASP  41           HN       ASP  41   9.947  10.781  10.781
  255    HA   ASP  41           HA       ASP  41   8.506  12.945  12.945
  256   1HB   ASP  41           HB2      ASP  41   8.442  10.239  10.239
  257   2HB   ASP  41           HB1      ASP  41   9.657  10.699  10.699
  258    H    TRP  42           HN       TRP  42  11.711  11.534  11.534
  259    HA   TRP  42           HA       TRP  42  12.785  13.421  13.421
  260   1HB   TRP  42           HB2      TRP  42  13.903  10.982  10.982
  261   2HB   TRP  42           HB1      TRP  42  14.956  12.113  12.113
  262    HD1  TRP  42           HD1      TRP  42  11.743  10.001  10.001
  263    HE1  TRP  42           HE1      TRP  42  11.928   9.387   9.387
  264    HE3  TRP  42           HE3      TRP  42  15.915  12.440  12.440
  265    HZ2  TRP  42           HZ2      TRP  42  13.743   9.899   9.899
  266    HZ3  TRP  42           HZ3      TRP  42  16.902  12.413  12.413
  267    HH2  TRP  42           HH2      TRP  42  15.816  11.142  11.142
  268    H    TRP  43           HN       TRP  43  13.952  15.207  15.207
  269    HA   TRP  43           HA       TRP  43  14.655  15.410  15.410
  270   1HB   TRP  43           HB2      TRP  43  13.958  17.764  17.764
  271   2HB   TRP  43           HB1      TRP  43  14.059  17.713  17.713
  272    HD1  TRP  43           HD1      TRP  43  12.320  14.991  14.991
  273    HE1  TRP  43           HE1      TRP  43   9.831  15.239  15.239
  274    HE3  TRP  43           HE3      TRP  43  12.339  19.091  19.091
  275    HZ2  TRP  43           HZ2      TRP  43   7.975  17.058  17.058
  276    HZ3  TRP  43           HZ3      TRP  43  10.277  20.108  20.108
  277    HH2  TRP  43           HH2      TRP  43   8.095  19.095  19.095
  278    H    LEU  44           HN       LEU  44  16.513  16.821  16.821
  279    HA   LEU  44           HA       LEU  44  18.513  16.672  16.672
  280   1HB   LEU  44           HB2      LEU  44  19.113  15.622  15.622
  281   2HB   LEU  44           HB1      LEU  44  18.905  17.184  17.184
  282    HG   LEU  44           HG       LEU  44  20.647  17.312  17.312
  283   1HD1  LEU  44          HD13      LEU  44  21.249  15.438  15.438
  284   2HD1  LEU  44          HD12      LEU  44  22.556  16.285  16.285
  285   3HD1  LEU  44          HD11      LEU  44  21.505  15.199  15.199
  286   1HD2  LEU  44          HD22      LEU  44  20.433  18.351  18.351
  287   2HD2  LEU  44          HD21      LEU  44  20.880  19.188  19.188
  288   3HD2  LEU  44          HD23      LEU  44  22.071  18.206  18.206
  289    H    ALA  45           HN       ALA  45  19.342  18.587  18.587
  290    HA   ALA  45           HA       ALA  45  18.516  21.099  21.099
  291   1HB   ALA  45           HB3      ALA  45  17.300  20.321  20.321
  292   2HB   ALA  45           HB2      ALA  45  18.705  21.101  21.101
  293   3HB   ALA  45           HB1      ALA  45  17.636  22.019  22.019
  294    H    HIS  46           HN       HIS  46  19.871  22.901  22.901
  295    HA   HIS  46           HA       HIS  46  22.373  22.675  22.675
  296   1HB   HIS  46           HB2      HIS  46  22.730  21.436  21.436
  297   2HB   HIS  46           HB1      HIS  46  22.587  23.013  23.013
  298    HD1  HIS  46           HD1      HIS  46  25.232  21.090  21.090
  299    HD2  HIS  46           HD2      HIS  46  24.325  24.847  24.847
  300    HE1  HIS  46           HE1      HIS  46  27.354  22.095  22.095
  301    H    SER  47           HN       SER  47  23.174  24.726  24.726
  302    HA   SER  47           HA       SER  47  23.409  27.095  27.095
  303   1HB   SER  47           HB2      SER  47  20.422  26.686  26.686
  304   2HB   SER  47           HB1      SER  47  21.136  28.296  28.296
  305    HG   SER  47           HG       SER  47  21.403  28.170  28.170
  306    H    LEU  48           HN       LEU  48  21.912  25.293  25.293
  307    HA   LEU  48           HA       LEU  48  21.196  26.443  26.443
  308   1HB   LEU  48           HB2      LEU  48  23.284  25.238  25.238
  309   2HB   LEU  48           HB1      LEU  48  21.973  24.317  24.317
  310    HG   LEU  48           HG       LEU  48  24.077  25.200  25.200
  311   1HD1  LEU  48          HD11      LEU  48  25.253  24.508  24.508
  312   2HD1  LEU  48          HD13      LEU  48  24.725  22.875  22.875
  313   3HD1  LEU  48          HD12      LEU  48  25.802  23.748  23.748
  314   1HD2  LEU  48          HD23      LEU  48  22.034  23.521  23.521
  315   2HD2  LEU  48          HD22      LEU  48  23.534  23.306  23.306
  316   3HD2  LEU  48          HD21      LEU  48  23.245  22.365  22.365
  317    H    THR  49           HN       THR  49  24.739  26.562  26.562
  318    HA   THR  49           HA       THR  49  24.777  29.443  29.443
  319    HB   THR  49           HB       THR  49  26.612  28.260  28.260
  320    HG1  THR  49           HG1      THR  49  23.930  27.548  27.548
  321   1HG2  THR  49          HG22      THR  49  25.309  30.531  30.531
  322   2HG2  THR  49          HG21      THR  49  24.049  29.633  29.633
  323   3HG2  THR  49          HG23      THR  49  25.650  29.797  29.797
  324    H    THR  50           HN       THR  50  27.072  26.696  26.696
  325    HA   THR  50           HA       THR  50  29.053  28.225  28.225
  326    HB   THR  50           HB       THR  50  30.470  26.153  26.153
  327    HG1  THR  50           HG1      THR  50  29.518  24.493  24.493
  328   1HG2  THR  50          HG23      THR  50  29.212  27.619  27.619
  329   2HG2  THR  50          HG22      THR  50  30.667  26.628  26.628
  330   3HG2  THR  50          HG21      THR  50  30.671  28.080  28.080
  331    H    GLY  51           HN       GLY  51  29.183  24.829  24.829
  332   1HA   GLY  51           HA2      GLY  51  27.621  24.973  24.973
  333   2HA   GLY  51           HA1      GLY  51  29.347  24.774  24.774
  334    H    GLN  52           HN       GLN  52  26.610  23.284  23.284
  335    HA   GLN  52           HA       GLN  52  27.880  20.657  20.657
  336   1HB   GLN  52           HB2      GLN  52  27.020  21.704  21.704
  337   2HB   GLN  52           HB1      GLN  52  26.961  19.973  19.973
  338   1HG   GLN  52           HG2      GLN  52  29.325  19.935  19.935
  339   2HG   GLN  52           HG1      GLN  52  29.423  21.692  21.692
  340   1HE2  GLN  52          HE22      GLN  52  29.547  19.428  19.428
  341   2HE2  GLN  52          HE21      GLN  52  29.322  18.711  18.711
  342    H    THR  53           HN       THR  53  26.449  19.484  19.484
  343    HA   THR  53           HA       THR  53  23.587  20.160  20.160
  344    HB   THR  53           HB       THR  53  25.400  18.956  18.956
  345    HG1  THR  53           HG1      THR  53  22.604  19.332  19.332
  346   1HG2  THR  53          HG22      THR  53  24.600  16.782  16.782
  347   2HG2  THR  53          HG21      THR  53  22.977  17.203  17.203
  348   3HG2  THR  53          HG23      THR  53  24.269  16.956  16.956
  349    H    GLY  54           HN       GLY  54  21.997  18.272  18.272
  350   1HA   GLY  54           HA2      GLY  54  22.853  15.913  15.913
  351   2HA   GLY  54           HA1      GLY  54  22.301  17.131  17.131
  352    H    TYR  55           HN       TYR  55  21.270  14.499  14.499
  353    HA   TYR  55           HA       TYR  55  18.760  15.212  15.212
  354   1HB   TYR  55           HB2      TYR  55  19.692  12.687  12.687
  355   2HB   TYR  55           HB1      TYR  55  18.144  12.827  12.827
  356    HD1  TYR  55           HD1      TYR  55  19.013  14.600  14.600
  357    HD2  TYR  55           HD2      TYR  55  20.844  11.163  11.163
  358    HE1  TYR  55           HE1      TYR  55  20.025  14.059  14.059
  359    HE2  TYR  55           HE2      TYR  55  21.883  10.641  10.641
  360    HH   TYR  55           HH       TYR  55  22.446  11.580  11.580
  361    H    ILE  56           HN       ILE  56  17.799  16.791  16.791
  362    HA   ILE  56           HA       ILE  56  17.224  16.018  16.018
  363    HB   ILE  56           HB       ILE  56  16.186  18.231  18.231
  364   1HG1  ILE  56          HG12      ILE  56  16.455  19.647  19.647
  365   2HG1  ILE  56          HG11      ILE  56  16.388  18.069  18.069
  366   1HG2  ILE  56          HG23      ILE  56  18.819  17.760  17.760
  367   2HG2  ILE  56          HG22      ILE  56  18.572  18.820  18.820
  368   3HG2  ILE  56          HG21      ILE  56  18.177  19.387  19.387
  369   1HD1  ILE  56          HD11      ILE  56  14.336  18.147  18.147
  370   2HD1  ILE  56          HD13      ILE  56  14.218  19.623  19.623
  371   3HD1  ILE  56          HD12      ILE  56  14.151  18.050  18.050
  372    HA   PRO  57           HA       PRO  57  13.397  14.047  14.047
  373   1HB   PRO  57           HB2      PRO  57  12.285  14.687  14.687
  374   2HB   PRO  57           HB1      PRO  57  13.014  13.160  13.160
  375   1HG   PRO  57           HG2      PRO  57  14.109  15.158  15.158
  376   2HG   PRO  57           HG1      PRO  57  14.798  13.592  13.592
  377   1HD   PRO  57           HD1      PRO  57  15.689  16.197  16.197
  378   2HD   PRO  57           HD2      PRO  57  16.338  14.619  14.619
  379    H    SER  58           HN       SER  58  11.326  14.735  14.735
  380    HA   SER  58           HA       SER  58  10.931  17.578  17.578
  381   1HB   SER  58           HB2      SER  58   8.896  16.949  16.949
  382   2HB   SER  58           HB1      SER  58  10.159  15.819  15.819
  383    HG   SER  58           HG       SER  58   7.835  15.261  15.261
  384    H    ASN  59           HN       ASN  59   9.796  15.171  15.171
  385    HA   ASN  59           HA       ASN  59   7.665  16.845  16.845
  386   1HB   ASN  59           HB2      ASN  59   7.748  15.124  15.124
  387   2HB   ASN  59           HB1      ASN  59   7.400  14.487  14.487
  388   1HD2  ASN  59          HD22      ASN  59  10.019  12.175  12.175
  389   2HD2  ASN  59          HD21      ASN  59   8.356  12.391  12.391
  390    H    TYR  60           HN       TYR  60  11.059  16.806  16.806
  391    HA   TYR  60           HA       TYR  60  10.950  18.065  18.065
  392   1HB   TYR  60           HB2      TYR  60  13.182  16.972  16.972
  393   2HB   TYR  60           HB1      TYR  60  13.520  18.010  18.010
  394    HD1  TYR  60           HD1      TYR  60  10.527  16.023  16.023
  395    HD2  TYR  60           HD2      TYR  60  14.732  15.947  15.947
  396    HE1  TYR  60           HE1      TYR  60  10.275  14.079  14.079
  397    HE2  TYR  60           HE2      TYR  60  14.481  14.011  14.011
  398    HH   TYR  60           HH       TYR  60  11.279  12.666  12.666
  399    H    VAL  61           HN       VAL  61  10.184  19.259  19.259
  400    HA   VAL  61           HA       VAL  61  11.401  21.883  21.883
  401    HB   VAL  61           HB       VAL  61  13.102  21.204  21.204
  402   1HG1  VAL  61          HG12      VAL  61  11.090  19.340  19.340
  403   2HG1  VAL  61          HG11      VAL  61  11.846  20.113  20.113
  404   3HG1  VAL  61          HG13      VAL  61  12.839  19.259  19.259
  405   1HG2  VAL  61          HG21      VAL  61  10.962  22.355  22.355
  406   2HG2  VAL  61          HG23      VAL  61  12.094  23.283  23.283
  407   3HG2  VAL  61          HG22      VAL  61  12.685  22.310  22.310
  408    H    ALA  62           HN       ALA  62  10.413  23.552  23.552
  409    HA   ALA  62           HA       ALA  62   7.802  22.711  22.711
  410   1HB   ALA  62           HB1      ALA  62   8.131  24.126  24.126
  411   2HB   ALA  62           HB3      ALA  62   7.286  25.145  25.145
  412   3HB   ALA  62           HB2      ALA  62   6.645  23.554  23.554
  413    HA   PRO  63           HA       PRO  63   9.088  25.494  25.494
  414   1HB   PRO  63           HB2      PRO  63   6.388  26.006  26.006
  415   2HB   PRO  63           HB1      PRO  63   7.551  24.898  24.898
  416   1HG   PRO  63           HG2      PRO  63   5.211  24.232  24.232
  417   2HG   PRO  63           HG1      PRO  63   6.363  23.123  23.123
  418   1HD   PRO  63           HD1      PRO  63   6.066  23.740  23.740
  419   2HD   PRO  63           HD2      PRO  63   7.212  22.614  22.614
  420    H    SER  64           HN       SER  64   9.770  27.390  27.390
  421    HA   SER  64           HA       SER  64   7.965  29.645  29.645
  422   1HB   SER  64           HB2      SER  64   7.777  28.081  28.081
  423   2HB   SER  64           HB1      SER  64   8.891  29.366  29.366
  424    HG   SER  64           HG       SER  64   7.169  30.707  30.707
  425   1H    ALA  71           HT3      ALA  71  11.883  15.645  15.645
  426   2H    ALA  71           HT2      ALA  71  11.455  15.732  15.732
  427   3H    ALA  71           HT1      ALA  71  13.084  15.555  15.555
  428    HA   ALA  71           HA       ALA  71  12.633  13.406  13.406
  429   1HB   ALA  71           HB3      ALA  71  10.177  14.118  14.118
  430   2HB   ALA  71           HB2      ALA  71   9.878  13.574  13.574
  431   3HB   ALA  71           HB1      ALA  71  10.477  12.437  12.437
  432    H    PHE  72           HN       PHE  72  13.413  14.791  14.791
  433    HA   PHE  72           HA       PHE  72  14.231  13.982  13.982
  434   1HB   PHE  72           HB2      PHE  72  13.870  11.659  11.659
  435   2HB   PHE  72           HB1      PHE  72  13.061  11.329  11.329
  436    HD1  PHE  72           HD2      PHE  72  14.411  11.997  11.997
  437    HD2  PHE  72           HD1      PHE  72  16.207  11.413  11.413
  438    HE1  PHE  72           HE2      PHE  72  16.591  11.651  11.651
  439    HE2  PHE  72           HE1      PHE  72  18.385  11.069  11.069
  440    HZ   PHE  72           HZ       PHE  72  18.579  11.187  11.187
  441    H    ALA  73           HN       ALA  73  13.334  14.019  14.019
  442    HA   ALA  73           HA       ALA  73  10.539  14.683  14.683
  443   1HB   ALA  73           HB2      ALA  73  12.863  14.601  14.601
  444   2HB   ALA  73           HB1      ALA  73  11.429  13.981  13.981
  445   3HB   ALA  73           HB3      ALA  73  11.415  15.601  15.601
  446    HA   PRO  74           HA       PRO  74   8.474  10.919  10.919
  447   1HB   PRO  74           HB2      PRO  74   7.580  11.438  11.438
  448   2HB   PRO  74           HB1      PRO  74   6.661  11.595  11.595
  449   1HG   PRO  74           HG2      PRO  74   7.688  13.712  13.712
  450   2HG   PRO  74           HG1      PRO  74   6.766  13.869  13.869
  451   1HD   PRO  74           HD1      PRO  74   9.573  14.393  14.393
  452   2HD   PRO  74           HD2      PRO  74   8.648  14.546  14.546
  453    HA   PRO  75           HA       PRO  75  10.965   8.080   8.080
  454   1HB   PRO  75           HB2      PRO  75   8.809   6.607   6.607
  455   2HB   PRO  75           HB1      PRO  75   9.747   6.179   6.179
  456   1HG   PRO  75           HG2      PRO  75   7.013   7.098   7.098
  457   2HG   PRO  75           HG1      PRO  75   7.951   6.672   6.672
  458   1HD   PRO  75           HD1      PRO  75   7.158   9.303   9.303
  459   2HD   PRO  75           HD2      PRO  75   8.100   8.875   8.875
  460    H    LEU  76           HN       LEU  76  12.020   8.371   8.371
  461    HA   LEU  76           HA       LEU  76  10.679   9.821   9.821
  462   1HB   LEU  76           HB2      LEU  76  13.490   8.924   8.924
  463   2HB   LEU  76           HB1      LEU  76  13.044   9.370   9.370
  464    HG   LEU  76           HG       LEU  76  12.230  11.215  11.215
  465   1HD1  LEU  76          HD12      LEU  76  15.054  10.927  10.927
  466   2HD1  LEU  76          HD11      LEU  76  14.473  12.338  12.338
  467   3HD1  LEU  76          HD13      LEU  76  14.535  10.765  10.765
  468   1HD2  LEU  76          HD22      LEU  76  12.448  11.202  11.202
  469   2HD2  LEU  76          HD21      LEU  76  11.719  12.423  12.423
  470   3HD2  LEU  76          HD23      LEU  76  13.439  12.503  12.503
  471    HA   PRO  77           HA       PRO  77   9.467   6.334   6.334
  472   1HB   PRO  77           HB2      PRO  77  10.147   7.555   7.555
  473   2HB   PRO  77           HB1      PRO  77   8.550   7.421   7.421
  474   1HG   PRO  77           HG2      PRO  77  10.185   9.788   9.788
  475   2HG   PRO  77           HG1      PRO  77   8.583   9.656   9.656
  476   1HD   PRO  77           HD1      PRO  77  11.113  10.036  10.036
  477   2HD   PRO  77           HD2      PRO  77   9.505   9.902   9.902
  478    H    ARG  78           HN       ARG  78  10.395   4.799   4.799
  479    HA   ARG  78           HA       ARG  78  13.284   4.481   4.481
  480   1HB   ARG  78           HB2      ARG  78  11.061   2.756   2.756
  481   2HB   ARG  78           HB1      ARG  78  12.376   2.511   2.511
  482   1HG   ARG  78           HG2      ARG  78  13.527   2.752   2.752
  483   2HG   ARG  78           HG1      ARG  78  12.198   1.599   1.599
  484   1HD   ARG  78           HD2      ARG  78  13.644   0.079   0.079
  485   2HD   ARG  78           HD1      ARG  78  13.443   0.919   0.919
  486    HE   ARG  78           HE       ARG  78  15.431   2.312   2.312
  487   1HH1  ARG  78          HH21      ARG  78  14.837  -0.795  -0.795
  488   2HH1  ARG  78          HH22      ARG  78  16.508  -1.110  -1.110
  489   1HH2  ARG  78          HH11      ARG  78  17.612   1.910   1.910
  490   2HH2  ARG  78          HH12      ARG  78  18.076   0.418   0.418
  491    H    ARG  79           HN       ARG  79  13.230   6.705   6.705
  492    HA   ARG  79           HA       ARG  79  13.942   7.739   7.739
  493   1HB   ARG  79           HB2      ARG  79  15.067   4.992   4.992
  494   2HB   ARG  79           HB1      ARG  79  15.027   5.861   5.861
  495   1HG   ARG  79           HG2      ARG  79  15.957   7.823   7.823
  496   2HG   ARG  79           HG1      ARG  79  16.617   6.410   6.410
  497   1HD   ARG  79           HD2      ARG  79  18.108   6.006   6.006
  498   2HD   ARG  79           HD1      ARG  79  16.909   6.297   6.297
  499    HE   ARG  79           HE       ARG  79  17.651   8.538   8.538
  500   1HH1  ARG  79          HH21      ARG  79  18.772   6.948   6.948
  501   2HH1  ARG  79          HH22      ARG  79  19.828   8.241   8.241
  502   1HH2  ARG  79          HH11      ARG  79  19.027  10.228  10.228
  503   2HH2  ARG  79          HH12      ARG  79  19.973  10.095  10.095

  Start of MODEL   15
    1   1H    THR   9           HT2      THR   9  11.540  29.160  29.160
    2   2H    THR   9           HT1      THR   9  12.870  29.743  29.743
    3   3H    THR   9           HT3      THR   9  12.507  28.083  28.083
    4    HA   THR   9           HA       THR   9  14.316  28.305  28.305
    5    HB   THR   9           HB       THR   9  13.293  30.106  30.106
    6    HG1  THR   9           HG1      THR   9  12.600  31.735  31.735
    7   1HG2  THR   9          HG21      THR   9  15.684  29.495  29.495
    8   2HG2  THR   9          HG23      THR   9  15.510  30.589  30.589
    9   3HG2  THR   9          HG22      THR   9  15.385  31.212  31.212
   10    H    PHE  10           HN       PHE  10  14.407  27.267  27.267
   11    HA   PHE  10           HA       PHE  10  11.735  26.424  26.424
   12   1HB   PHE  10           HB2      PHE  10  14.117  24.723  24.723
   13   2HB   PHE  10           HB1      PHE  10  12.946  24.177  24.177
   14    HD1  PHE  10           HD2      PHE  10  12.922  25.770  25.770
   15    HD2  PHE  10           HD1      PHE  10  11.168  22.887  22.887
   16    HE1  PHE  10           HE2      PHE  10  11.400  25.071  25.071
   17    HE2  PHE  10           HE1      PHE  10   9.649  22.191  22.191
   18    HZ   PHE  10           HZ       PHE  10   9.763  23.283  23.283
   19    H    VAL  11           HN       VAL  11  12.119  25.288  25.288
   20    HA   VAL  11           HA       VAL  11  14.360  26.583  26.583
   21    HB   VAL  11           HB       VAL  11  11.417  26.856  26.856
   22   1HG1  VAL  11          HG13      VAL  11  13.881  27.269  27.269
   23   2HG1  VAL  11          HG12      VAL  11  12.366  28.105  28.105
   24   3HG1  VAL  11          HG11      VAL  11  12.431  26.343  26.343
   25   1HG2  VAL  11          HG23      VAL  11  12.874  28.458  28.458
   26   2HG2  VAL  11          HG22      VAL  11  11.699  29.115  29.115
   27   3HG2  VAL  11          HG21      VAL  11  13.411  29.085  29.085
   28    H    ALA  12           HN       ALA  12  15.223  25.218  25.218
   29    HA   ALA  12           HA       ALA  12  14.334  22.485  22.485
   30   1HB   ALA  12           HB1      ALA  12  16.481  24.129  24.129
   31   2HB   ALA  12           HB3      ALA  12  15.948  22.804  22.804
   32   3HB   ALA  12           HB2      ALA  12  16.534  22.470  22.470
   33    H    LEU  13           HN       LEU  13  12.192  22.379  22.379
   34    HA   LEU  13           HA       LEU  13  11.219  23.795  23.795
   35   1HB   LEU  13           HB2      LEU  13  10.280  21.131  21.131
   36   2HB   LEU  13           HB1      LEU  13   9.381  22.175  22.175
   37    HG   LEU  13           HG       LEU  13  10.107  22.696  22.696
   38   1HD1  LEU  13          HD11      LEU  13   7.709  22.043  22.043
   39   2HD1  LEU  13          HD13      LEU  13   7.488  23.441  23.441
   40   3HD1  LEU  13          HD12      LEU  13   7.991  21.892  21.892
   41   1HD2  LEU  13          HD23      LEU  13   9.431  24.625  24.625
   42   2HD2  LEU  13          HD22      LEU  13  10.629  24.788  24.788
   43   3HD2  LEU  13          HD21      LEU  13   8.912  24.964  24.964
   44    H    TYR  14           HN       TYR  14  11.892  20.277  20.277
   45    HA   TYR  14           HA       TYR  14  12.354  20.322  20.322
   46   1HB   TYR  14           HB2      TYR  14  12.304  17.888  17.888
   47   2HB   TYR  14           HB1      TYR  14  12.098  17.940  17.940
   48    HD1  TYR  14           HD2      TYR  14  10.352  20.723  20.723
   49    HD2  TYR  14           HD1      TYR  14  10.065  16.533  16.533
   50    HE1  TYR  14           HE2      TYR  14   7.967  20.967  20.967
   51    HE2  TYR  14           HE1      TYR  14   7.649  16.760  16.760
   52    HH   TYR  14           HH       TYR  14   5.887  19.295  19.295
   53    H    ASP  15           HN       ASP  15  14.181  18.861  18.861
   54    HA   ASP  15           HA       ASP  15  16.655  19.714  19.714
   55   1HB   ASP  15           HB2      ASP  15  17.712  18.573  18.573
   56   2HB   ASP  15           HB1      ASP  15  16.540  19.802  19.802
   57    H    TYR  16           HN       TYR  16  17.032  18.525  18.525
   58    HA   TYR  16           HA       TYR  16  16.517  15.655  15.655
   59   1HB   TYR  16           HB2      TYR  16  16.291  17.005  17.005
   60   2HB   TYR  16           HB1      TYR  16  17.961  17.554  17.554
   61    HD1  TYR  16           HD2      TYR  16  16.009  14.366  14.366
   62    HD2  TYR  16           HD1      TYR  16  19.602  16.382  16.382
   63    HE1  TYR  16           HE2      TYR  16  16.727  12.414  12.414
   64    HE2  TYR  16           HE1      TYR  16  20.330  14.423  14.423
   65    HH   TYR  16           HH       TYR  16  19.360  11.545  11.545
   66    H    GLU  17           HN       GLU  17  17.850  14.233  14.233
   67    HA   GLU  17           HA       GLU  17  20.727  14.950  14.950
   68   1HB   GLU  17           HB2      GLU  17  20.605  12.817  12.817
   69   2HB   GLU  17           HB1      GLU  17  19.931  14.337  14.337
   70   1HG   GLU  17           HG2      GLU  17  17.693  13.660  13.660
   71   2HG   GLU  17           HG1      GLU  17  18.313  12.210  12.210
   72    H    SER  18           HN       SER  18  21.158  14.423  14.423
   73    HA   SER  18           HA       SER  18  20.599  12.128  12.128
   74   1HB   SER  18           HB2      SER  18  23.109  12.374  12.374
   75   2HB   SER  18           HB1      SER  18  21.933  13.623  13.623
   76    HG   SER  18           HG       SER  18  24.152  13.924  13.924
   77    H    ARG  19           HN       ARG  19  21.159   9.982   9.982
   78    HA   ARG  19           HA       ARG  19  23.103   9.199   9.199
   79   1HB   ARG  19           HB2      ARG  19  20.346   8.286   8.286
   80   2HB   ARG  19           HB1      ARG  19  21.510   6.998   6.998
   81   1HG   ARG  19           HG2      ARG  19  21.426   7.447   7.447
   82   2HG   ARG  19           HG1      ARG  19  21.977   9.094   9.094
   83   1HD   ARG  19           HD2      ARG  19  19.903   9.473   9.473
   84   2HD   ARG  19           HD1      ARG  19  19.475   9.499   9.499
   85    HE   ARG  19           HE       ARG  19  19.271   6.831   6.831
   86   1HH1  ARG  19          HH21      ARG  19  17.758   9.921   9.921
   87   2HH1  ARG  19          HH22      ARG  19  16.156   9.297   9.297
   88   1HH2  ARG  19          HH11      ARG  19  17.186   6.009   6.009
   89   2HH2  ARG  19          HH12      ARG  19  15.831   7.086   7.086
   90    H    THR  20           HN       THR  20  22.480   9.238   9.238
   91    HA   THR  20           HA       THR  20  24.143   6.792   6.792
   92    HB   THR  20           HB       THR  20  23.172   6.815   6.815
   93    HG1  THR  20           HG1      THR  20  22.564   9.205   9.205
   94   1HG2  THR  20          HG23      THR  20  22.176   5.559   5.559
   95   2HG2  THR  20          HG22      THR  20  20.968   6.843   6.843
   96   3HG2  THR  20          HG21      THR  20  21.104   5.827   5.827
   97    H    GLU  21           HN       GLU  21  25.497   7.034   7.034
   98    HA   GLU  21           HA       GLU  21  26.976   9.578   9.578
   99   1HB   GLU  21           HB2      GLU  21  28.498   8.351   8.351
  100   2HB   GLU  21           HB1      GLU  21  28.408   7.689   7.689
  101   1HG   GLU  21           HG2      GLU  21  26.366   6.678   6.678
  102   2HG   GLU  21           HG1      GLU  21  28.027   6.213   6.213
  103    H    THR  22           HN       THR  22  24.324   9.648   9.648
  104    HA   THR  22           HA       THR  22  25.120  10.487  10.487
  105    HB   THR  22           HB       THR  22  22.315   9.605   9.605
  106    HG1  THR  22           HG1      THR  22  23.230   7.497   7.497
  107   1HG2  THR  22          HG22      THR  22  23.713  10.511  10.511
  108   2HG2  THR  22          HG21      THR  22  23.595   8.768   8.768
  109   3HG2  THR  22          HG23      THR  22  22.134   9.726   9.726
  110    H    ASP  23           HN       ASP  23  23.802  11.410  11.410
  111    HA   ASP  23           HA       ASP  23  22.963  14.002  14.002
  112   1HB   ASP  23           HB2      ASP  23  21.237  13.411  13.411
  113   2HB   ASP  23           HB1      ASP  23  20.793  13.758  13.758
  114    H    LEU  24           HN       LEU  24  23.366  15.782  15.782
  115    HA   LEU  24           HA       LEU  24  25.228  15.265  15.265
  116   1HB   LEU  24           HB2      LEU  24  24.310  17.691  17.691
  117   2HB   LEU  24           HB1      LEU  24  25.075  17.899  17.899
  118    HG   LEU  24           HG       LEU  24  26.998  16.512  16.512
  119   1HD1  LEU  24          HD12      LEU  24  25.161  16.214  16.214
  120   2HD1  LEU  24          HD11      LEU  24  26.798  16.660  16.660
  121   3HD1  LEU  24          HD13      LEU  24  26.529  15.207  15.207
  122   1HD2  LEU  24          HD21      LEU  24  26.217  19.166  19.166
  123   2HD2  LEU  24          HD23      LEU  24  27.778  18.604  18.604
  124   3HD2  LEU  24          HD22      LEU  24  27.350  18.381  18.381
  125    H    SER  25           HN       SER  25  24.748  17.078  17.078
  126    HA   SER  25           HA       SER  25  21.996  16.387  16.387
  127   1HB   SER  25           HB2      SER  25  24.565  16.224  16.224
  128   2HB   SER  25           HB1      SER  25  23.596  17.411  17.411
  129    HG   SER  25           HG       SER  25  22.767  14.789  14.789
  130    H    PHE  26           HN       PHE  26  20.570  18.052  18.052
  131    HA   PHE  26           HA       PHE  26  21.661  20.803  20.803
  132   1HB   PHE  26           HB2      PHE  26  20.088  21.697  21.697
  133   2HB   PHE  26           HB1      PHE  26  21.004  20.412  20.412
  134    HD1  PHE  26           HD2      PHE  26  17.753  21.279  21.279
  135    HD2  PHE  26           HD1      PHE  26  19.902  18.378  18.378
  136    HE1  PHE  26           HE2      PHE  26  15.642  20.135  20.135
  137    HE2  PHE  26           HE1      PHE  26  17.790  17.243  17.243
  138    HZ   PHE  26           HZ       PHE  26  15.663  18.125  18.125
  139    H    LYS  27           HN       LYS  27  20.721  21.804  21.804
  140    HA   LYS  27           HA       LYS  27  18.319  20.548  20.548
  141   1HB   LYS  27           HB2      LYS  27  19.801  22.868  22.868
  142   2HB   LYS  27           HB1      LYS  27  18.946  21.554  21.554
  143   1HG   LYS  27           HG2      LYS  27  20.676  19.971  19.971
  144   2HG   LYS  27           HG1      LYS  27  21.483  21.178  21.178
  145   1HD   LYS  27           HD2      LYS  27  22.547  20.876  20.876
  146   2HD   LYS  27           HD1      LYS  27  22.005  22.526  22.526
  147   1HE   LYS  27           HE2      LYS  27  20.542  22.446  22.446
  148   2HE   LYS  27           HE1      LYS  27  19.886  20.904  20.904
  149   1HZ   LYS  27           HZ1      LYS  27  22.504  20.581  20.581
  150   2HZ   LYS  27           HZ3      LYS  27  21.497  21.330  21.330
  151   3HZ   LYS  27           HZ2      LYS  27  21.057  19.830  19.830
  152    H    LYS  28           HN       LYS  28  16.742  22.230  22.230
  153    HA   LYS  28           HA       LYS  28  15.589  23.766  23.766
  154   1HB   LYS  28           HB2      LYS  28  14.086  23.033  23.033
  155   2HB   LYS  28           HB1      LYS  28  15.105  23.651  23.651
  156   1HG   LYS  28           HG2      LYS  28  14.145  25.692  25.692
  157   2HG   LYS  28           HG1      LYS  28  14.350  25.763  25.763
  158   1HD   LYS  28           HD2      LYS  28  12.308  24.574  24.574
  159   2HD   LYS  28           HD1      LYS  28  12.175  24.127  24.127
  160   1HE   LYS  28           HE2      LYS  28  12.393  27.011  27.011
  161   2HE   LYS  28           HE1      LYS  28  11.019  26.365  26.365
  162   1HZ   LYS  28           HZ1      LYS  28  11.186  25.119  25.119
  163   2HZ   LYS  28           HZ3      LYS  28  11.196  26.805  26.805
  164   3HZ   LYS  28           HZ2      LYS  28   9.926  26.061  26.061
  165    H    GLY  29           HN       GLY  29  15.863  25.916  25.916
  166   1HA   GLY  29           HA2      GLY  29  16.385  28.203  28.203
  167   2HA   GLY  29           HA1      GLY  29  17.907  27.422  27.422
  168    H    GLU  30           HN       GLU  30  18.784  26.190  26.190
  169    HA   GLU  30           HA       GLU  30  19.322  28.388  28.388
  170   1HB   GLU  30           HB2      GLU  30  21.048  27.043  27.043
  171   2HB   GLU  30           HB1      GLU  30  20.964  26.556  26.556
  172   1HG   GLU  30           HG2      GLU  30  19.532  25.104  25.104
  173   2HG   GLU  30           HG1      GLU  30  21.110  24.631  24.631
  174    H    ARG  31           HN       ARG  31  18.715  28.467  28.467
  175    HA   ARG  31           HA       ARG  31  16.255  27.015  27.015
  176   1HB   ARG  31           HB2      ARG  31  17.878  29.175  29.175
  177   2HB   ARG  31           HB1      ARG  31  16.614  28.331  28.331
  178   1HG   ARG  31           HG2      ARG  31  15.048  29.602  29.602
  179   2HG   ARG  31           HG1      ARG  31  15.581  29.032  29.032
  180   1HD   ARG  31           HD2      ARG  31  16.567  31.009  31.009
  181   2HD   ARG  31           HD1      ARG  31  17.473  30.947  30.947
  182    HE   ARG  31           HE       ARG  31  14.720  31.694  31.694
  183   1HH1  ARG  31          HH21      ARG  31  17.796  32.788  32.788
  184   2HH1  ARG  31          HH22      ARG  31  17.507  34.441  34.441
  185   1HH2  ARG  31          HH11      ARG  31  14.334  33.850  33.850
  186   2HH2  ARG  31          HH12      ARG  31  15.552  35.042  35.042
  187    H    LEU  32           HN       LEU  32  16.328  26.357  26.357
  188    HA   LEU  32           HA       LEU  32  18.826  24.924  24.924
  189   1HB   LEU  32           HB2      LEU  32  16.312  23.579  23.579
  190   2HB   LEU  32           HB1      LEU  32  17.267  22.805  22.805
  191    HG   LEU  32           HG       LEU  32  19.033  23.745  23.745
  192   1HD1  LEU  32          HD13      LEU  32  16.501  23.000  23.000
  193   2HD1  LEU  32          HD12      LEU  32  17.575  21.635  21.635
  194   3HD1  LEU  32          HD11      LEU  32  17.991  23.238  23.238
  195   1HD2  LEU  32          HD21      LEU  32  18.217  21.070  21.070
  196   2HD2  LEU  32          HD23      LEU  32  19.710  21.968  21.968
  197   3HD2  LEU  32          HD22      LEU  32  19.421  21.200  21.200
  198    H    GLN  33           HN       GLN  33  19.116  25.163  25.163
  199    HA   GLN  33           HA       GLN  33  16.852  26.006  26.006
  200   1HB   GLN  33           HB2      GLN  33  19.515  26.627  26.627
  201   2HB   GLN  33           HB1      GLN  33  19.439  25.393  25.393
  202   1HG   GLN  33           HG2      GLN  33  17.795  26.621  26.621
  203   2HG   GLN  33           HG1      GLN  33  17.505  27.718  27.718
  204   1HE2  GLN  33          HE22      GLN  33  21.151  28.151  28.151
  205   2HE2  GLN  33          HE21      GLN  33  20.561  26.588  26.588
  206    H    ILE  34           HN       ILE  34  15.557  24.116  24.116
  207    HA   ILE  34           HA       ILE  34  16.279  21.481  21.481
  208    HB   ILE  34           HB       ILE  34  14.067  22.896  22.896
  209   1HG1  ILE  34          HG12      ILE  34  13.875  23.403  23.403
  210   2HG1  ILE  34          HG11      ILE  34  12.674  22.174  22.174
  211   1HG2  ILE  34          HG21      ILE  34  14.777  20.040  20.040
  212   2HG2  ILE  34          HG23      ILE  34  13.072  20.485  20.485
  213   3HG2  ILE  34          HG22      ILE  34  14.108  20.750  20.750
  214   1HD1  ILE  34          HD11      ILE  34  14.846  20.625  20.625
  215   2HD1  ILE  34          HD13      ILE  34  15.057  21.988  21.988
  216   3HD1  ILE  34          HD12      ILE  34  13.564  21.048  21.048
  217    H    VAL  35           HN       VAL  35  16.645  20.176  20.176
  218    HA   VAL  35           HA       VAL  35  17.844  21.718  21.718
  219    HB   VAL  35           HB       VAL  35  18.448  18.924  18.924
  220   1HG1  VAL  35          HG13      VAL  35  18.613  19.142  19.142
  221   2HG1  VAL  35          HG12      VAL  35  19.733  20.487  20.487
  222   3HG1  VAL  35          HG11      VAL  35  20.181  18.869  18.869
  223   1HG2  VAL  35          HG22      VAL  35  19.303  20.941  20.941
  224   2HG2  VAL  35          HG21      VAL  35  20.545  19.837  19.837
  225   3HG2  VAL  35          HG23      VAL  35  20.247  21.358  21.358
  226    H    ASN  36           HN       ASN  36  16.760  18.349  18.349
  227    HA   ASN  36           HA       ASN  36  14.818  18.871  18.871
  228   1HB   ASN  36           HB2      ASN  36  17.157  17.119  17.119
  229   2HB   ASN  36           HB1      ASN  36  15.671  16.242  16.242
  230   1HD2  ASN  36          HD22      ASN  36  15.745  17.430  17.430
  231   2HD2  ASN  36          HD21      ASN  36  15.449  16.143  16.143
  232    H    ASN  37           HN       ASN  37  13.722  16.343  16.343
  233    HA   ASN  37           HA       ASN  37  12.181  14.920  14.920
  234   1HB   ASN  37           HB2      ASN  37  13.554  15.502  15.502
  235   2HB   ASN  37           HB1      ASN  37  12.777  14.010  14.010
  236   1HD2  ASN  37          HD22      ASN  37  16.691  14.399  14.399
  237   2HD2  ASN  37          HD21      ASN  37  15.794  15.329  15.329
  238    H    THR  38           HN       THR  38  10.381  16.309  16.309
  239    HA   THR  38           HA       THR  38   9.757  18.016  18.016
  240    HB   THR  38           HB       THR  38  10.036  19.292  19.292
  241    HG1  THR  38           HG1      THR  38   8.288  20.480  20.480
  242   1HG2  THR  38          HG21      THR  38   8.064  17.241  17.241
  243   2HG2  THR  38          HG23      THR  38   7.931  18.868  18.868
  244   3HG2  THR  38          HG22      THR  38   9.425  17.953  17.953
  245    H    GLU  39           HN       GLU  39   8.795  15.343  15.343
  246    HA   GLU  39           HA       GLU  39   6.167  15.273  15.273
  247   1HB   GLU  39           HB2      GLU  39   6.886  14.810  14.810
  248   2HB   GLU  39           HB1      GLU  39   5.876  13.543  13.543
  249   1HG   GLU  39           HG2      GLU  39   4.545  15.647  15.647
  250   2HG   GLU  39           HG1      GLU  39   5.260  16.434  16.434
  251    H    GLY  40           HN       GLY  40   9.193  13.793  13.793
  252   1HA   GLY  40           HA2      GLY  40   8.423  11.043  11.043
  253   2HA   GLY  40           HA1      GLY  40  10.042  11.705  11.705
  254    H    ASP  41           HN       ASP  41  10.561  11.000  11.000
  255    HA   ASP  41           HA       ASP  41   8.700  11.820  11.820
  256   1HB   ASP  41           HB2      ASP  41  10.311   9.285   9.285
  257   2HB   ASP  41           HB1      ASP  41   9.741   9.825   9.825
  258    H    TRP  42           HN       TRP  42  12.096  10.823  10.823
  259    HA   TRP  42           HA       TRP  42  12.942  12.720  12.720
  260   1HB   TRP  42           HB2      TRP  42  14.204  10.380  10.380
  261   2HB   TRP  42           HB1      TRP  42  15.249  11.609  11.609
  262    HD1  TRP  42           HD1      TRP  42  12.728   8.863   8.863
  263    HE1  TRP  42           HE1      TRP  42  12.903   8.613   8.613
  264    HE3  TRP  42           HE3      TRP  42  15.690  12.716  12.716
  265    HZ2  TRP  42           HZ2      TRP  42  14.218   9.975   9.975
  266    HZ3  TRP  42           HZ3      TRP  42  16.429  13.277  13.277
  267    HH2  TRP  42           HH2      TRP  42  15.694  11.906  11.906
  268    H    TRP  43           HN       TRP  43  14.181  14.551  14.551
  269    HA   TRP  43           HA       TRP  43  14.725  15.023  15.023
  270   1HB   TRP  43           HB2      TRP  43  14.044  17.124  17.124
  271   2HB   TRP  43           HB1      TRP  43  14.241  17.375  17.375
  272    HD1  TRP  43           HD1      TRP  43  12.529  14.565  14.565
  273    HE1  TRP  43           HE1      TRP  43  10.020  14.834  14.834
  274    HE3  TRP  43           HE3      TRP  43  12.393  18.615  18.615
  275    HZ2  TRP  43           HZ2      TRP  43   8.089  16.665  16.665
  276    HZ3  TRP  43           HZ3      TRP  43  10.286  19.651  19.651
  277    HH2  TRP  43           HH2      TRP  43   8.133  18.679  18.679
  278    H    LEU  44           HN       LEU  44  16.457  16.791  16.791
  279    HA   LEU  44           HA       LEU  44  18.563  16.468  16.468
  280   1HB   LEU  44           HB2      LEU  44  19.164  15.170  15.170
  281   2HB   LEU  44           HB1      LEU  44  18.910  16.590  16.590
  282    HG   LEU  44           HG       LEU  44  20.662  17.396  17.396
  283   1HD1  LEU  44          HD13      LEU  44  21.198  14.639  14.639
  284   2HD1  LEU  44          HD12      LEU  44  22.550  15.704  15.704
  285   3HD1  LEU  44          HD11      LEU  44  21.398  15.250  15.250
  286   1HD2  LEU  44          HD23      LEU  44  20.444  17.450  17.450
  287   2HD2  LEU  44          HD22      LEU  44  21.559  18.372  18.372
  288   3HD2  LEU  44          HD21      LEU  44  22.042  16.801  16.801
  289    H    ALA  45           HN       ALA  45  18.954  18.442  18.442
  290    HA   ALA  45           HA       ALA  45  18.647  20.831  20.831
  291   1HB   ALA  45           HB2      ALA  45  17.031  20.330  20.330
  292   2HB   ALA  45           HB1      ALA  45  18.334  21.171  21.171
  293   3HB   ALA  45           HB3      ALA  45  17.481  21.966  21.966
  294    H    HIS  46           HN       HIS  46  19.893  22.753  22.753
  295    HA   HIS  46           HA       HIS  46  22.377  21.974  21.974
  296   1HB   HIS  46           HB2      HIS  46  23.136  21.760  21.760
  297   2HB   HIS  46           HB1      HIS  46  22.182  23.138  23.138
  298    HD1  HIS  46           HD1      HIS  46  25.149  22.503  22.503
  299    HD2  HIS  46           HD2      HIS  46  23.507  25.549  25.549
  300    HE1  HIS  46           HE1      HIS  46  26.770  24.325  24.325
  301    H    SER  47           HN       SER  47  22.429  23.393  23.393
  302    HA   SER  47           HA       SER  47  20.976  25.883  25.883
  303   1HB   SER  47           HB2      SER  47  23.261  25.112  25.112
  304   2HB   SER  47           HB1      SER  47  21.968  26.263  26.263
  305    HG   SER  47           HG       SER  47  21.313  23.631  23.631
  306    H    LEU  48           HN       LEU  48  22.149  28.024  28.024
  307    HA   LEU  48           HA       LEU  48  24.483  28.227  28.227
  308   1HB   LEU  48           HB2      LEU  48  22.509  30.384  30.384
  309   2HB   LEU  48           HB1      LEU  48  23.797  30.544  30.544
  310    HG   LEU  48           HG       LEU  48  21.527  28.542  28.542
  311   1HD1  LEU  48          HD12      LEU  48  21.015  31.101  31.101
  312   2HD1  LEU  48          HD11      LEU  48  21.850  30.982  30.982
  313   3HD1  LEU  48          HD13      LEU  48  20.402  30.020  30.020
  314   1HD2  LEU  48          HD22      LEU  48  23.666  27.955  27.955
  315   2HD2  LEU  48          HD21      LEU  48  22.337  28.233  28.233
  316   3HD2  LEU  48          HD23      LEU  48  23.567  29.475  29.475
  317    H    THR  49           HN       THR  49  23.157  29.372  29.372
  318    HA   THR  49           HA       THR  49  25.120  31.109  31.109
  319    HB   THR  49           HB       THR  49  23.732  28.900  28.900
  320    HG1  THR  49           HG1      THR  49  22.831  31.122  31.122
  321   1HG2  THR  49          HG21      THR  49  25.679  31.009  31.009
  322   2HG2  THR  49          HG23      THR  49  24.355  30.580  30.580
  323   3HG2  THR  49          HG22      THR  49  25.509  29.348  29.348
  324    H    THR  50           HN       THR  50  25.336  27.821  27.821
  325    HA   THR  50           HA       THR  50  28.280  28.010  28.010
  326    HB   THR  50           HB       THR  50  27.837  25.591  25.591
  327    HG1  THR  50           HG1      THR  50  25.955  25.825  25.825
  328   1HG2  THR  50          HG21      THR  50  29.049  27.554  27.554
  329   2HG2  THR  50          HG23      THR  50  27.494  28.222  28.222
  330   3HG2  THR  50          HG22      THR  50  28.063  26.703  26.703
  331    H    GLY  51           HN       GLY  51  25.646  26.516  26.516
  332   1HA   GLY  51           HA2      GLY  51  26.345  25.729  25.729
  333   2HA   GLY  51           HA1      GLY  51  27.585  24.790  24.790
  334    H    GLN  52           HN       GLN  52  26.940  22.929  22.929
  335    HA   GLN  52           HA       GLN  52  25.619  21.039  21.039
  336   1HB   GLN  52           HB2      GLN  52  23.906  23.361  23.361
  337   2HB   GLN  52           HB1      GLN  52  22.984  21.958  21.958
  338   1HG   GLN  52           HG2      GLN  52  23.281  22.147  22.147
  339   2HG   GLN  52           HG1      GLN  52  23.809  20.617  20.617
  340   1HE2  GLN  52          HE22      GLN  52  26.533  23.099  23.099
  341   2HE2  GLN  52          HE21      GLN  52  24.906  23.558  23.558
  342    H    THR  53           HN       THR  53  25.067  19.429  19.429
  343    HA   THR  53           HA       THR  53  23.287  19.904  19.904
  344    HB   THR  53           HB       THR  53  26.106  20.243  20.243
  345    HG1  THR  53           HG1      THR  53  24.109  19.939  19.939
  346   1HG2  THR  53          HG21      THR  53  24.974  17.774  17.774
  347   2HG2  THR  53          HG23      THR  53  26.405  18.625  18.625
  348   3HG2  THR  53          HG22      THR  53  26.412  17.877  17.877
  349    H    GLY  54           HN       GLY  54  22.063  18.072  18.072
  350   1HA   GLY  54           HA2      GLY  54  23.078  15.453  15.453
  351   2HA   GLY  54           HA1      GLY  54  22.811  15.708  15.708
  352    H    TYR  55           HN       TYR  55  21.287  13.803  13.803
  353    HA   TYR  55           HA       TYR  55  18.786  14.616  14.616
  354   1HB   TYR  55           HB2      TYR  55  19.938  12.115  12.115
  355   2HB   TYR  55           HB1      TYR  55  18.180  12.242  12.242
  356    HD1  TYR  55           HD2      TYR  55  19.882  14.133  14.133
  357    HD2  TYR  55           HD1      TYR  55  18.265  10.305  10.305
  358    HE1  TYR  55           HE2      TYR  55  19.849  13.577  13.577
  359    HE2  TYR  55           HE1      TYR  55  18.230   9.752   9.752
  360    HH   TYR  55           HH       TYR  55  18.123  11.093  11.093
  361    H    ILE  56           HN       ILE  56  17.636  16.104  16.104
  362    HA   ILE  56           HA       ILE  56  17.375  15.639  15.639
  363    HB   ILE  56           HB       ILE  56  16.359  17.861  17.861
  364   1HG1  ILE  56          HG12      ILE  56  16.667  18.859  18.859
  365   2HG1  ILE  56          HG11      ILE  56  15.920  17.277  17.277
  366   1HG2  ILE  56          HG23      ILE  56  18.841  17.681  17.681
  367   2HG2  ILE  56          HG22      ILE  56  18.760  17.825  17.825
  368   3HG2  ILE  56          HG21      ILE  56  18.255  19.173  19.173
  369   1HD1  ILE  56          HD11      ILE  56  14.425  18.144  18.144
  370   2HD1  ILE  56          HD13      ILE  56  14.853  19.707  19.707
  371   3HD1  ILE  56          HD12      ILE  56  14.011  18.507  18.507
  372    HA   PRO  57           HA       PRO  57  13.504  13.597  13.597
  373   1HB   PRO  57           HB2      PRO  57  12.524  14.641  14.641
  374   2HB   PRO  57           HB1      PRO  57  13.190  13.036  13.036
  375   1HG   PRO  57           HG2      PRO  57  14.425  15.222  15.222
  376   2HG   PRO  57           HG1      PRO  57  15.069  13.600  13.600
  377   1HD   PRO  57           HD1      PRO  57  15.930  16.064  16.064
  378   2HD   PRO  57           HD2      PRO  57  16.539  14.425  14.425
  379    H    SER  58           HN       SER  58  11.355  14.157  14.157
  380    HA   SER  58           HA       SER  58  10.938  17.004  17.004
  381   1HB   SER  58           HB2      SER  58   9.603  16.226  16.226
  382   2HB   SER  58           HB1      SER  58  10.181  14.618  14.618
  383    HG   SER  58           HG       SER  58   8.418  14.296  14.296
  384    H    ASN  59           HN       ASN  59  10.680  15.473  15.473
  385    HA   ASN  59           HA       ASN  59   8.056  16.727  16.727
  386   1HB   ASN  59           HB2      ASN  59   9.378  14.189  14.189
  387   2HB   ASN  59           HB1      ASN  59   8.424  15.062  15.062
  388   1HD2  ASN  59          HD22      ASN  59   5.416  13.826  13.826
  389   2HD2  ASN  59          HD21      ASN  59   6.282  14.381  14.381
  390    H    TYR  60           HN       TYR  60  11.430  16.846  16.846
  391    HA   TYR  60           HA       TYR  60  11.186  18.235  18.235
  392   1HB   TYR  60           HB2      TYR  60  13.533  17.159  17.159
  393   2HB   TYR  60           HB1      TYR  60  13.754  18.238  18.238
  394    HD1  TYR  60           HD1      TYR  60  10.809  16.245  16.245
  395    HD2  TYR  60           HD2      TYR  60  15.018  16.133  16.133
  396    HE1  TYR  60           HE1      TYR  60  10.558  14.310  14.310
  397    HE2  TYR  60           HE2      TYR  60  14.770  14.208  14.208
  398    HH   TYR  60           HH       TYR  60  12.825  12.273  12.273
  399    H    VAL  61           HN       VAL  61  10.818  19.061  19.061
  400    HA   VAL  61           HA       VAL  61  11.892  21.802  21.802
  401    HB   VAL  61           HB       VAL  61  13.379  20.452  20.452
  402   1HG1  VAL  61          HG11      VAL  61  11.351  19.280  19.280
  403   2HG1  VAL  61          HG13      VAL  61  11.137  20.756  20.756
  404   3HG1  VAL  61          HG12      VAL  61  12.617  19.810  19.810
  405   1HG2  VAL  61          HG21      VAL  61  12.905  23.035  23.035
  406   2HG2  VAL  61          HG23      VAL  61  13.870  22.281  22.281
  407   3HG2  VAL  61          HG22      VAL  61  12.171  22.653  22.653
  408    H    ALA  62           HN       ALA  62  10.914  23.254  23.254
  409    HA   ALA  62           HA       ALA  62   8.374  22.480  22.480
  410   1HB   ALA  62           HB1      ALA  62   8.408  23.978  23.978
  411   2HB   ALA  62           HB3      ALA  62   7.085  24.197  24.197
  412   3HB   ALA  62           HB2      ALA  62   7.410  22.602  22.602
  413    HA   PRO  63           HA       PRO  63   9.438  25.927  25.927
  414   1HB   PRO  63           HB2      PRO  63   6.713  26.486  26.486
  415   2HB   PRO  63           HB1      PRO  63   7.913  25.603  25.603
  416   1HG   PRO  63           HG2      PRO  63   5.618  24.535  24.535
  417   2HG   PRO  63           HG1      PRO  63   6.789  23.660  23.660
  418   1HD   PRO  63           HD1      PRO  63   6.533  23.617  23.617
  419   2HD   PRO  63           HD2      PRO  63   7.730  22.765  22.765
  420    H    SER  64           HN       SER  64  10.006  27.784  27.784
  421    HA   SER  64           HA       SER  64   7.857  29.213  29.213
  422   1HB   SER  64           HB2      SER  64  10.268  28.348  28.348
  423   2HB   SER  64           HB1      SER  64  10.668  29.994  29.994
  424    HG   SER  64           HG       SER  64   8.308  29.509  29.509
  425   1H    ALA  71           HT3      ALA  71  11.586  18.300  18.300
  426   2H    ALA  71           HT2      ALA  71  10.806  18.528  18.528
  427   3H    ALA  71           HT1      ALA  71  11.931  19.673  19.673
  428    HA   ALA  71           HA       ALA  71  13.743  18.345  18.345
  429   1HB   ALA  71           HB1      ALA  71  11.578  17.813  17.813
  430   2HB   ALA  71           HB3      ALA  71  13.250  17.306  17.306
  431   3HB   ALA  71           HB2      ALA  71  12.863  19.018  19.018
  432    H    PHE  72           HN       PHE  72  10.764  16.414  16.414
  433    HA   PHE  72           HA       PHE  72  12.462  14.066  14.066
  434   1HB   PHE  72           HB2      PHE  72   9.999  14.242  14.242
  435   2HB   PHE  72           HB1      PHE  72  10.406  12.740  12.740
  436    HD1  PHE  72           HD1      PHE  72  13.293  12.590  12.590
  437    HD2  PHE  72           HD2      PHE  72  10.589  14.015  14.015
  438    HE1  PHE  72           HE1      PHE  72  14.934  12.067  12.067
  439    HE2  PHE  72           HE2      PHE  72  12.233  13.491  13.491
  440    HZ   PHE  72           HZ       PHE  72  14.405  12.516  12.516
  441    H    ALA  73           HN       ALA  73  12.002  15.298  15.298
  442    HA   ALA  73           HA       ALA  73   9.444  15.355  15.355
  443   1HB   ALA  73           HB1      ALA  73  12.247  15.184  15.184
  444   2HB   ALA  73           HB3      ALA  73  10.951  14.806  14.806
  445   3HB   ALA  73           HB2      ALA  73  10.999  16.381  16.381
  446    HA   PRO  74           HA       PRO  74   8.215  11.213  11.213
  447   1HB   PRO  74           HB2      PRO  74   7.456  11.553  11.553
  448   2HB   PRO  74           HB1      PRO  74   6.407  11.541  11.541
  449   1HG   PRO  74           HG2      PRO  74   7.157  13.809  13.809
  450   2HG   PRO  74           HG1      PRO  74   6.103  13.795  13.795
  451   1HD   PRO  74           HD1      PRO  74   8.790  14.828  14.828
  452   2HD   PRO  74           HD2      PRO  74   7.733  14.813  14.813
  453    HA   PRO  75           HA       PRO  75  11.386   8.908   8.908
  454   1HB   PRO  75           HB2      PRO  75   9.658   7.042   7.042
  455   2HB   PRO  75           HB1      PRO  75  10.550   6.805   6.805
  456   1HG   PRO  75           HG2      PRO  75   7.704   7.177   7.177
  457   2HG   PRO  75           HG1      PRO  75   8.596   6.935   6.935
  458   1HD   PRO  75           HD1      PRO  75   7.376   9.366   9.366
  459   2HD   PRO  75           HD2      PRO  75   8.286   9.127   9.127
  460    H    LEU  76           HN       LEU  76  12.273   8.343   8.343
  461    HA   LEU  76           HA       LEU  76  11.372  10.263  10.263
  462   1HB   LEU  76           HB2      LEU  76  13.691   8.342   8.342
  463   2HB   LEU  76           HB1      LEU  76  13.334   9.180   9.180
  464    HG   LEU  76           HG       LEU  76  13.729  10.583  10.583
  465   1HD1  LEU  76          HD13      LEU  76  15.638   9.888   9.888
  466   2HD1  LEU  76          HD12      LEU  76  15.905  11.315  11.315
  467   3HD1  LEU  76          HD11      LEU  76  15.865   9.715   9.715
  468   1HD2  LEU  76          HD21      LEU  76  12.492  11.462  11.462
  469   2HD2  LEU  76          HD23      LEU  76  13.271  12.512  12.512
  470   3HD2  LEU  76          HD22      LEU  76  14.153  11.998  11.998
  471    HA   PRO  77           HA       PRO  77   8.857   7.560   7.560
  472   1HB   PRO  77           HB2      PRO  77   9.842   8.495   8.495
  473   2HB   PRO  77           HB1      PRO  77   8.345   8.956   8.956
  474   1HG   PRO  77           HG2      PRO  77  10.740  10.537  10.537
  475   2HG   PRO  77           HG1      PRO  77   9.242  11.001  11.001
  476   1HD   PRO  77           HD1      PRO  77  11.787  10.360  10.360
  477   2HD   PRO  77           HD2      PRO  77  10.283  10.827  10.827
  478    H    ARG  78           HN       ARG  78   9.282   6.257   6.257
  479    HA   ARG  78           HA       ARG  78  11.747   4.663   4.663
  480   1HB   ARG  78           HB2      ARG  78  10.624   2.817   2.817
  481   2HB   ARG  78           HB1      ARG  78   9.555   3.463   3.463
  482   1HG   ARG  78           HG2      ARG  78   8.660   4.984   4.984
  483   2HG   ARG  78           HG1      ARG  78   9.379   3.759   3.759
  484   1HD   ARG  78           HD2      ARG  78   7.156   3.446   3.446
  485   2HD   ARG  78           HD1      ARG  78   7.174   2.981   2.981
  486    HE   ARG  78           HE       ARG  78   8.173   1.381   1.381
  487   1HH1  ARG  78          HH21      ARG  78   8.494   2.183   2.183
  488   2HH1  ARG  78          HH22      ARG  78   9.184   0.654   0.654
  489   1HH2  ARG  78          HH11      ARG  78   9.073  -0.614  -0.614
  490   2HH2  ARG  78          HH12      ARG  78   9.512  -0.926  -0.926
  491    H    ARG  79           HN       ARG  79  13.022   3.965   3.965
  492    HA   ARG  79           HA       ARG  79  12.717   5.792   5.792
  493   1HB   ARG  79           HB2      ARG  79  15.298   4.401   4.401
  494   2HB   ARG  79           HB1      ARG  79  15.032   5.957   5.957
  495   1HG   ARG  79           HG2      ARG  79  13.942   6.430   6.430
  496   2HG   ARG  79           HG1      ARG  79  15.238   5.310   5.310
  497   1HD   ARG  79           HD2      ARG  79  16.835   6.741   6.741
  498   2HD   ARG  79           HD1      ARG  79  15.528   7.887   7.887
  499    HE   ARG  79           HE       ARG  79  15.646   7.479   7.479
  500   1HH1  ARG  79          HH21      ARG  79  17.578   8.693   8.693
  501   2HH1  ARG  79          HH22      ARG  79  18.423   9.833   9.833
  502   1HH2  ARG  79          HH11      ARG  79  16.745   8.962   8.962
  503   2HH2  ARG  79          HH12      ARG  79  17.953   9.985   9.985

  Start of MODEL   16
    1   1H    THR   9           HT3      THR   9  12.700  30.735  30.735
    2   2H    THR   9           HT2      THR   9  13.766  30.607  30.607
    3   3H    THR   9           HT1      THR   9  12.430  29.564  29.564
    4    HA   THR   9           HA       THR   9  14.444  28.403  28.403
    5    HB   THR   9           HB       THR   9  14.753  30.012  30.012
    6    HG1  THR   9           HG1      THR   9  15.621  31.716  31.716
    7   1HG2  THR   9          HG21      THR   9  16.112  27.971  27.971
    8   2HG2  THR   9          HG23      THR   9  16.935  29.243  29.243
    9   3HG2  THR   9          HG22      THR   9  16.943  29.267  29.267
   10    H    PHE  10           HN       PHE  10  14.438  26.889  26.889
   11    HA   PHE  10           HA       PHE  10  11.719  26.789  26.789
   12   1HB   PHE  10           HB2      PHE  10  13.724  24.707  24.707
   13   2HB   PHE  10           HB1      PHE  10  12.588  24.340  24.340
   14    HD1  PHE  10           HD1      PHE  10  11.976  26.516  26.516
   15    HD2  PHE  10           HD2      PHE  10  11.120  22.790  22.790
   16    HE1  PHE  10           HE1      PHE  10  10.218  26.079  26.079
   17    HE2  PHE  10           HE2      PHE  10   9.361  22.360  22.360
   18    HZ   PHE  10           HZ       PHE  10   8.910  24.001  24.001
   19    H    VAL  11           HN       VAL  11  11.667  25.859  25.859
   20    HA   VAL  11           HA       VAL  11  14.117  26.606  26.606
   21    HB   VAL  11           HB       VAL  11  11.287  27.094  27.094
   22   1HG1  VAL  11          HG11      VAL  11  13.777  27.071  27.071
   23   2HG1  VAL  11          HG13      VAL  11  13.422  28.780  28.780
   24   3HG1  VAL  11          HG12      VAL  11  12.280  27.765  27.765
   25   1HG2  VAL  11          HG23      VAL  11  11.813  28.425  28.425
   26   2HG2  VAL  11          HG22      VAL  11  11.575  29.426  29.426
   27   3HG2  VAL  11          HG21      VAL  11  13.205  29.102  29.102
   28    H    ALA  12           HN       ALA  12  14.684  25.132  25.132
   29    HA   ALA  12           HA       ALA  12  13.458  22.528  22.528
   30   1HB   ALA  12           HB1      ALA  12  15.457  23.813  23.813
   31   2HB   ALA  12           HB3      ALA  12  14.954  22.128  22.128
   32   3HB   ALA  12           HB2      ALA  12  15.793  22.687  22.687
   33    H    LEU  13           HN       LEU  13  11.619  21.941  21.941
   34    HA   LEU  13           HA       LEU  13  10.644  23.632  23.632
   35   1HB   LEU  13           HB2      LEU  13   9.189  21.596  21.596
   36   2HB   LEU  13           HB1      LEU  13   8.454  22.569  22.569
   37    HG   LEU  13           HG       LEU  13   9.958  24.223  24.223
   38   1HD1  LEU  13          HD13      LEU  13   9.084  22.178  22.178
   39   2HD1  LEU  13          HD12      LEU  13   7.517  22.966  22.966
   40   3HD1  LEU  13          HD11      LEU  13   8.843  23.817  23.817
   41   1HD2  LEU  13          HD23      LEU  13   8.069  24.749  24.749
   42   2HD2  LEU  13          HD22      LEU  13   8.057  25.598  25.598
   43   3HD2  LEU  13          HD21      LEU  13   6.978  24.229  24.229
   44    H    TYR  14           HN       TYR  14  12.068  20.598  20.598
   45    HA   TYR  14           HA       TYR  14  11.387  19.714  19.714
   46   1HB   TYR  14           HB2      TYR  14  11.499  17.974  17.974
   47   2HB   TYR  14           HB1      TYR  14  11.279  17.384  17.384
   48    HD1  TYR  14           HD2      TYR  14   9.857  20.002  20.002
   49    HD2  TYR  14           HD1      TYR  14   9.076  17.095  17.095
   50    HE1  TYR  14           HE2      TYR  14   7.474  20.546  20.546
   51    HE2  TYR  14           HE1      TYR  14   6.676  17.606  17.606
   52    HH   TYR  14           HH       TYR  14   5.284  19.307  19.307
   53    H    ASP  15           HN       ASP  15  13.159  19.102  19.102
   54    HA   ASP  15           HA       ASP  15  15.800  19.592  19.592
   55   1HB   ASP  15           HB2      ASP  15  14.621  18.947  18.947
   56   2HB   ASP  15           HB1      ASP  15  15.656  17.559  17.559
   57    H    TYR  16           HN       TYR  16  16.151  18.487  18.487
   58    HA   TYR  16           HA       TYR  16  15.768  15.590  15.590
   59   1HB   TYR  16           HB2      TYR  16  15.464  16.901  16.901
   60   2HB   TYR  16           HB1      TYR  16  17.089  17.572  17.572
   61    HD1  TYR  16           HD1      TYR  16  15.877  14.068  14.068
   62    HD2  TYR  16           HD2      TYR  16  18.317  16.687  16.687
   63    HE1  TYR  16           HE1      TYR  16  16.780  12.150  12.150
   64    HE2  TYR  16           HE2      TYR  16  19.213  14.770  14.770
   65    HH   TYR  16           HH       TYR  16  19.458  12.471  12.471
   66    H    GLU  17           HN       GLU  17  17.144  14.582  14.582
   67    HA   GLU  17           HA       GLU  17  20.012  15.314  15.314
   68   1HB   GLU  17           HB2      GLU  17  18.176  14.082  14.082
   69   2HB   GLU  17           HB1      GLU  17  19.588  13.053  13.053
   70   1HG   GLU  17           HG2      GLU  17  20.898  14.468  14.468
   71   2HG   GLU  17           HG1      GLU  17  20.362  15.844  15.844
   72    H    SER  18           HN       SER  18  20.058  14.523  14.523
   73    HA   SER  18           HA       SER  18  19.649  11.953  11.953
   74   1HB   SER  18           HB2      SER  18  22.073  12.462  12.462
   75   2HB   SER  18           HB1      SER  18  20.563  13.175  13.175
   76    HG   SER  18           HG       SER  18  22.535  14.283  14.283
   77    H    ARG  19           HN       ARG  19  20.952  10.024  10.024
   78    HA   ARG  19           HA       ARG  19  22.808   9.806   9.806
   79   1HB   ARG  19           HB2      ARG  19  21.259   7.596   7.596
   80   2HB   ARG  19           HB1      ARG  19  22.215   7.445   7.445
   81   1HG   ARG  19           HG2      ARG  19  20.125   7.741   7.741
   82   2HG   ARG  19           HG1      ARG  19  20.612   9.430   9.430
   83   1HD   ARG  19           HD2      ARG  19  19.091   9.853   9.853
   84   2HD   ARG  19           HD1      ARG  19  19.357   8.294   8.294
   85    HE   ARG  19           HE       ARG  19  17.257   8.886   8.886
   86   1HH1  ARG  19          HH21      ARG  19  19.516   6.490   6.490
   87   2HH1  ARG  19          HH22      ARG  19  18.538   5.158   5.158
   88   1HH2  ARG  19          HH11      ARG  19  15.973   7.156   7.156
   89   2HH2  ARG  19          HH12      ARG  19  16.535   5.534   5.534
   90    H    THR  20           HN       THR  20  22.684   9.855   9.855
   91    HA   THR  20           HA       THR  20  25.161   8.204   8.204
   92    HB   THR  20           HB       THR  20  24.679   8.144   8.144
   93    HG1  THR  20           HG1      THR  20  22.985   9.225   9.225
   94   1HG2  THR  20          HG22      THR  20  23.088   6.998   6.998
   95   2HG2  THR  20          HG21      THR  20  22.029   7.370   7.370
   96   3HG2  THR  20          HG23      THR  20  23.438   6.337   6.337
   97    H    GLU  21           HN       GLU  21  26.830   9.104   9.104
   98    HA   GLU  21           HA       GLU  21  27.206  11.979  11.979
   99   1HB   GLU  21           HB2      GLU  21  28.943   9.706   9.706
  100   2HB   GLU  21           HB1      GLU  21  29.427  11.323  11.323
  101   1HG   GLU  21           HG2      GLU  21  28.728  11.712  11.712
  102   2HG   GLU  21           HG1      GLU  21  29.479  10.116  10.116
  103    H    THR  22           HN       THR  22  25.297  10.751  10.751
  104    HA   THR  22           HA       THR  22  26.411  12.154  12.154
  105    HB   THR  22           HB       THR  22  24.151  10.138  10.138
  106    HG1  THR  22           HG1      THR  22  26.022   9.057   9.057
  107   1HG2  THR  22          HG22      THR  22  25.528  11.446  11.446
  108   2HG2  THR  22          HG21      THR  22  24.371  10.119  10.119
  109   3HG2  THR  22          HG23      THR  22  23.855  11.688  11.688
  110    H    ASP  23           HN       ASP  23  24.164  12.481  12.481
  111    HA   ASP  23           HA       ASP  23  22.557  14.419  14.419
  112   1HB   ASP  23           HB2      ASP  23  21.626  13.472  13.472
  113   2HB   ASP  23           HB1      ASP  23  20.682  13.904  13.904
  114    H    LEU  24           HN       LEU  24  22.263  16.519  16.519
  115    HA   LEU  24           HA       LEU  24  24.309  17.329  17.329
  116   1HB   LEU  24           HB2      LEU  24  22.509  18.802  18.802
  117   2HB   LEU  24           HB1      LEU  24  23.330  19.663  19.663
  118    HG   LEU  24           HG       LEU  24  24.880  17.805  17.805
  119   1HD1  LEU  24          HD13      LEU  24  23.593  19.392  19.392
  120   2HD1  LEU  24          HD12      LEU  24  24.331  20.732  20.732
  121   3HD1  LEU  24          HD11      LEU  24  25.337  19.643  19.643
  122   1HD2  LEU  24          HD23      LEU  24  25.401  19.738  19.738
  123   2HD2  LEU  24          HD22      LEU  24  26.485  18.538  18.538
  124   3HD2  LEU  24          HD21      LEU  24  26.315  20.122  20.122
  125    H    SER  25           HN       SER  25  23.356  16.480  16.480
  126    HA   SER  25           HA       SER  25  20.748  16.692  16.692
  127   1HB   SER  25           HB2      SER  25  22.619  17.497  17.497
  128   2HB   SER  25           HB1      SER  25  21.642  16.034  16.034
  129    HG   SER  25           HG       SER  25  24.246  16.526  16.526
  130    H    PHE  26           HN       PHE  26  19.401  18.359  18.359
  131    HA   PHE  26           HA       PHE  26  20.615  21.041  21.041
  132   1HB   PHE  26           HB2      PHE  26  18.821  22.066  22.066
  133   2HB   PHE  26           HB1      PHE  26  19.872  21.019  21.019
  134    HD1  PHE  26           HD2      PHE  26  16.587  21.228  21.228
  135    HD2  PHE  26           HD1      PHE  26  18.994  19.028  19.028
  136    HE1  PHE  26           HE2      PHE  26  14.624  19.902  19.902
  137    HE2  PHE  26           HE1      PHE  26  17.032  17.707  17.707
  138    HZ   PHE  26           HZ       PHE  26  14.845  18.142  18.142
  139    H    LYS  27           HN       LYS  27  19.683  22.095  22.095
  140    HA   LYS  27           HA       LYS  27  17.521  20.699  20.699
  141   1HB   LYS  27           HB2      LYS  27  19.008  23.236  23.236
  142   2HB   LYS  27           HB1      LYS  27  17.991  22.268  22.268
  143   1HG   LYS  27           HG2      LYS  27  19.844  21.104  21.104
  144   2HG   LYS  27           HG1      LYS  27  19.823  20.444  20.444
  145   1HD   LYS  27           HD2      LYS  27  21.850  21.436  21.436
  146   2HD   LYS  27           HD1      LYS  27  20.941  22.940  22.940
  147   1HE   LYS  27           HE2      LYS  27  21.246  23.475  23.475
  148   2HE   LYS  27           HE1      LYS  27  21.751  21.833  21.833
  149   1HZ   LYS  27           HZ1      LYS  27  23.537  22.539  22.539
  150   2HZ   LYS  27           HZ3      LYS  27  23.286  24.020  24.020
  151   3HZ   LYS  27           HZ2      LYS  27  23.800  22.662  22.662
  152    H    LYS  28           HN       LYS  28  15.910  22.439  22.439
  153    HA   LYS  28           HA       LYS  28  14.410  23.555  23.555
  154   1HB   LYS  28           HB2      LYS  28  13.135  22.629  22.629
  155   2HB   LYS  28           HB1      LYS  28  13.996  23.609  23.609
  156   1HG   LYS  28           HG2      LYS  28  12.998  25.632  25.632
  157   2HG   LYS  28           HG1      LYS  28  12.345  24.808  24.808
  158   1HD   LYS  28           HD2      LYS  28  10.589  23.923  23.923
  159   2HD   LYS  28           HD1      LYS  28  11.552  23.671  23.671
  160   1HE   LYS  28           HE2      LYS  28  11.476  26.430  26.430
  161   2HE   LYS  28           HE1      LYS  28   9.863  25.949  25.949
  162   1HZ   LYS  28           HZ3      LYS  28  10.855  24.558  24.558
  163   2HZ   LYS  28           HZ2      LYS  28  10.587  26.220  26.220
  164   3HZ   LYS  28           HZ1      LYS  28   9.321  25.219  25.219
  165    H    GLY  29           HN       GLY  29  14.360  25.679  25.679
  166   1HA   GLY  29           HA2      GLY  29  14.505  28.085  28.085
  167   2HA   GLY  29           HA1      GLY  29  15.805  27.671  27.671
  168    H    GLU  30           HN       GLU  30  17.014  25.778  25.778
  169    HA   GLU  30           HA       GLU  30  18.592  27.773  27.773
  170   1HB   GLU  30           HB2      GLU  30  19.527  25.672  25.672
  171   2HB   GLU  30           HB1      GLU  30  18.832  24.766  24.766
  172   1HG   GLU  30           HG2      GLU  30  20.126  26.791  26.791
  173   2HG   GLU  30           HG1      GLU  30  21.197  26.529  26.529
  174    H    ARG  31           HN       ARG  31  18.313  28.289  28.289
  175    HA   ARG  31           HA       ARG  31  16.158  26.898  26.898
  176   1HB   ARG  31           HB2      ARG  31  17.748  29.380  29.380
  177   2HB   ARG  31           HB1      ARG  31  16.325  28.776  28.776
  178   1HG   ARG  31           HG2      ARG  31  15.215  30.216  30.216
  179   2HG   ARG  31           HG1      ARG  31  15.365  28.894  28.894
  180   1HD   ARG  31           HD2      ARG  31  16.720  30.126  30.126
  181   2HD   ARG  31           HD1      ARG  31  17.791  30.473  30.473
  182    HE   ARG  31           HE       ARG  31  16.770  32.585  32.585
  183   1HH1  ARG  31          HH21      ARG  31  14.758  30.329  30.329
  184   2HH1  ARG  31          HH22      ARG  31  13.548  31.503  31.503
  185   1HH2  ARG  31          HH11      ARG  31  15.198  34.123  34.123
  186   2HH2  ARG  31          HH12      ARG  31  13.797  33.649  33.649
  187    H    LEU  32           HN       LEU  32  16.537  26.090  26.090
  188    HA   LEU  32           HA       LEU  32  19.373  25.781  25.781
  189   1HB   LEU  32           HB2      LEU  32  17.549  23.374  23.374
  190   2HB   LEU  32           HB1      LEU  32  19.293  23.405  23.405
  191    HG   LEU  32           HG       LEU  32  19.292  24.610  24.610
  192   1HD1  LEU  32          HD12      LEU  32  16.642  24.383  24.383
  193   2HD1  LEU  32          HD11      LEU  32  16.973  22.785  22.785
  194   3HD1  LEU  32          HD13      LEU  32  17.465  24.229  24.229
  195   1HD2  LEU  32          HD22      LEU  32  19.980  22.145  22.145
  196   2HD2  LEU  32          HD21      LEU  32  20.100  22.625  22.625
  197   3HD2  LEU  32          HD23      LEU  32  18.701  21.709  21.709
  198    H    GLN  33           HN       GLN  33  19.583  25.223  25.223
  199    HA   GLN  33           HA       GLN  33  17.327  26.174  26.174
  200   1HB   GLN  33           HB2      GLN  33  19.685  26.777  26.777
  201   2HB   GLN  33           HB1      GLN  33  20.015  25.078  25.078
  202   1HG   GLN  33           HG2      GLN  33  18.960  25.157  25.157
  203   2HG   GLN  33           HG1      GLN  33  17.638  26.141  26.141
  204   1HE2  GLN  33          HE22      GLN  33  20.102  28.030  28.030
  205   2HE2  GLN  33          HE21      GLN  33  19.572  26.421  26.421
  206    H    ILE  34           HN       ILE  34  15.828  24.851  24.851
  207    HA   ILE  34           HA       ILE  34  16.196  21.931  21.931
  208    HB   ILE  34           HB       ILE  34  13.858  23.670  23.670
  209   1HG1  ILE  34          HG12      ILE  34  14.434  23.507  23.507
  210   2HG1  ILE  34          HG11      ILE  34  12.868  22.786  22.786
  211   1HG2  ILE  34          HG22      ILE  34  14.210  20.668  20.668
  212   2HG2  ILE  34          HG21      ILE  34  12.618  21.412  21.412
  213   3HG2  ILE  34          HG23      ILE  34  13.607  21.729  21.729
  214   1HD1  ILE  34          HD11      ILE  34  14.950  20.814  20.814
  215   2HD1  ILE  34          HD13      ILE  34  15.070  21.544  21.544
  216   3HD1  ILE  34          HD12      ILE  34  13.563  20.782  20.782
  217    H    VAL  35           HN       VAL  35  16.723  20.639  20.639
  218    HA   VAL  35           HA       VAL  35  16.944  21.928  21.928
  219    HB   VAL  35           HB       VAL  35  18.152  19.269  19.269
  220   1HG1  VAL  35          HG11      VAL  35  18.747  21.474  21.474
  221   2HG1  VAL  35          HG13      VAL  35  19.890  20.176  20.176
  222   3HG1  VAL  35          HG12      VAL  35  18.307  19.801  19.801
  223   1HG2  VAL  35          HG21      VAL  35  18.869  21.955  21.955
  224   2HG2  VAL  35          HG23      VAL  35  19.269  20.364  20.364
  225   3HG2  VAL  35          HG22      VAL  35  20.212  21.036  21.036
  226    H    ASN  36           HN       ASN  36  15.523  19.231  19.231
  227    HA   ASN  36           HA       ASN  36  14.127  18.413  18.413
  228   1HB   ASN  36           HB2      ASN  36  15.621  16.831  16.831
  229   2HB   ASN  36           HB1      ASN  36  13.987  16.571  16.571
  230   1HD2  ASN  36          HD22      ASN  36  13.918  14.090  14.090
  231   2HD2  ASN  36          HD21      ASN  36  14.174  14.324  14.324
  232    H    ASN  37           HN       ASN  37  11.869  17.371  17.371
  233    HA   ASN  37           HA       ASN  37  10.520  18.255  18.255
  234   1HB   ASN  37           HB2      ASN  37   9.034  19.886  19.886
  235   2HB   ASN  37           HB1      ASN  37  10.301  20.449  20.449
  236   1HD2  ASN  37          HD22      ASN  37  12.400  21.501  21.501
  237   2HD2  ASN  37          HD21      ASN  37  12.102  21.462  21.462
  238    H    THR  38           HN       THR  38   9.136  18.582  18.582
  239    HA   THR  38           HA       THR  38   6.855  17.083  17.083
  240    HB   THR  38           HB       THR  38   6.899  18.010  18.010
  241    HG1  THR  38           HG1      THR  38   6.768  16.351  16.351
  242   1HG2  THR  38          HG21      THR  38   9.790  17.302  17.302
  243   2HG2  THR  38          HG23      THR  38   9.067  17.442  17.442
  244   3HG2  THR  38          HG22      THR  38   9.024  18.811  18.811
  245    H    GLU  39           HN       GLU  39   9.221  15.462  15.462
  246    HA   GLU  39           HA       GLU  39   8.511  12.893  12.893
  247   1HB   GLU  39           HB2      GLU  39  10.516  13.675  13.675
  248   2HB   GLU  39           HB1      GLU  39  10.150  12.017  12.017
  249   1HG   GLU  39           HG2      GLU  39   7.641  12.914  12.914
  250   2HG   GLU  39           HG1      GLU  39   8.510  13.959  13.959
  251    H    GLY  40           HN       GLY  40  10.450  11.369  11.369
  252   1HA   GLY  40           HA2      GLY  40  12.539  11.001  11.001
  253   2HA   GLY  40           HA1      GLY  40  12.756  12.746  12.746
  254    H    ASP  41           HN       ASP  41  11.446   9.920   9.920
  255    HA   ASP  41           HA       ASP  41   9.777  10.965  10.965
  256   1HB   ASP  41           HB2      ASP  41  11.141   8.560   8.560
  257   2HB   ASP  41           HB1      ASP  41  11.754   9.163   9.163
  258    H    TRP  42           HN       TRP  42  13.336  10.683  10.683
  259    HA   TRP  42           HA       TRP  42  13.279  12.646  12.646
  260   1HB   TRP  42           HB2      TRP  42  15.268  10.692  10.692
  261   2HB   TRP  42           HB1      TRP  42  15.888  12.119  12.119
  262    HD1  TRP  42           HD1      TRP  42  13.432   9.149   9.149
  263    HE1  TRP  42           HE1      TRP  42  13.437   8.830   8.830
  264    HE3  TRP  42           HE3      TRP  42  16.345  12.952  12.952
  265    HZ2  TRP  42           HZ2      TRP  42  14.616  10.116  10.116
  266    HZ3  TRP  42           HZ3      TRP  42  16.939  13.444  13.444
  267    HH2  TRP  42           HH2      TRP  42  16.076  12.026  12.026
  268    H    TRP  43           HN       TRP  43  13.894  14.768  14.768
  269    HA   TRP  43           HA       TRP  43  14.566  15.594  15.594
  270   1HB   TRP  43           HB2      TRP  43  13.943  17.214  17.214
  271   2HB   TRP  43           HB1      TRP  43  14.249  17.900  17.900
  272    HD1  TRP  43           HD1      TRP  43  12.555  15.178  15.178
  273    HE1  TRP  43           HE1      TRP  43  10.054  15.540  15.540
  274    HE3  TRP  43           HE3      TRP  43  12.287  18.888  18.888
  275    HZ2  TRP  43           HZ2      TRP  43   8.071  17.290  17.290
  276    HZ3  TRP  43           HZ3      TRP  43  10.154  19.937  19.937
  277    HH2  TRP  43           HH2      TRP  43   8.046  19.134  19.134
  278    H    LEU  44           HN       LEU  44  16.263  17.370  17.370
  279    HA   LEU  44           HA       LEU  44  18.632  16.595  16.595
  280   1HB   LEU  44           HB2      LEU  44  18.578  16.342  16.342
  281   2HB   LEU  44           HB1      LEU  44  18.783  18.093  18.093
  282    HG   LEU  44           HG       LEU  44  20.732  17.626  17.626
  283   1HD1  LEU  44          HD13      LEU  44  19.954  15.148  15.148
  284   2HD1  LEU  44          HD12      LEU  44  20.782  14.984  14.984
  285   3HD1  LEU  44          HD11      LEU  44  21.684  15.473  15.473
  286   1HD2  LEU  44          HD21      LEU  44  20.662  17.205  17.205
  287   2HD2  LEU  44          HD23      LEU  44  21.415  18.504  18.504
  288   3HD2  LEU  44          HD22      LEU  44  22.172  16.913  16.913
  289    H    ALA  45           HN       ALA  45  20.075  18.403  18.403
  290    HA   ALA  45           HA       ALA  45  18.738  21.062  21.062
  291   1HB   ALA  45           HB1      ALA  45  19.570  19.512  19.512
  292   2HB   ALA  45           HB3      ALA  45  19.635  21.274  21.274
  293   3HB   ALA  45           HB2      ALA  45  18.104  20.454  20.454
  294    H    HIS  46           HN       HIS  46  20.209  22.850  22.850
  295    HA   HIS  46           HA       HIS  46  23.101  22.147  22.147
  296   1HB   HIS  46           HB2      HIS  46  22.699  22.664  22.664
  297   2HB   HIS  46           HB1      HIS  46  21.405  23.795  23.795
  298    HD1  HIS  46           HD1      HIS  46  25.050  23.671  23.671
  299    HD2  HIS  46           HD2      HIS  46  22.252  26.414  26.414
  300    HE1  HIS  46           HE1      HIS  46  26.214  25.818  25.818
  301    H    SER  47           HN       SER  47  24.084  23.092  23.092
  302    HA   SER  47           HA       SER  47  22.917  25.029  25.029
  303   1HB   SER  47           HB2      SER  47  25.774  24.209  24.209
  304   2HB   SER  47           HB1      SER  47  25.392  25.494  25.494
  305    HG   SER  47           HG       SER  47  25.352  23.677  23.677
  306    H    LEU  48           HN       LEU  48  23.486  27.325  27.325
  307    HA   LEU  48           HA       LEU  48  24.047  28.588  28.588
  308   1HB   LEU  48           HB2      LEU  48  22.421  29.425  29.425
  309   2HB   LEU  48           HB1      LEU  48  23.034  30.641  30.641
  310    HG   LEU  48           HG       LEU  48  21.315  28.250  28.250
  311   1HD1  LEU  48          HD11      LEU  48  20.447  30.512  30.512
  312   2HD1  LEU  48          HD13      LEU  48  20.485  31.067  31.067
  313   3HD1  LEU  48          HD12      LEU  48  19.507  29.668  29.668
  314   1HD2  LEU  48          HD22      LEU  48  22.665  30.409  30.409
  315   2HD2  LEU  48          HD21      LEU  48  22.727  28.662  28.662
  316   3HD2  LEU  48          HD23      LEU  48  21.248  29.549  29.549
  317    H    THR  49           HN       THR  49  25.955  27.629  27.629
  318    HA   THR  49           HA       THR  49  27.251  30.240  30.240
  319    HB   THR  49           HB       THR  49  27.669  27.456  27.456
  320    HG1  THR  49           HG1      THR  49  27.096  28.823  28.823
  321   1HG2  THR  49          HG23      THR  49  29.378  29.851  29.851
  322   2HG2  THR  49          HG22      THR  49  29.055  29.186  29.186
  323   3HG2  THR  49          HG21      THR  49  29.787  28.173  28.173
  324    H    THR  50           HN       THR  50  28.766  27.056  27.056
  325    HA   THR  50           HA       THR  50  30.759  28.310  28.310
  326    HB   THR  50           HB       THR  50  30.559  25.576  25.576
  327    HG1  THR  50           HG1      THR  50  31.418  26.809  26.809
  328   1HG2  THR  50          HG23      THR  50  32.124  26.489  26.489
  329   2HG2  THR  50          HG22      THR  50  33.121  25.830  25.830
  330   3HG2  THR  50          HG21      THR  50  31.839  24.850  24.850
  331    H    GLY  51           HN       GLY  51  28.744  25.342  25.342
  332   1HA   GLY  51           HA2      GLY  51  27.307  25.393  25.393
  333   2HA   GLY  51           HA1      GLY  51  28.890  25.466  25.466
  334    H    GLN  52           HN       GLN  52  26.653  23.428  23.428
  335    HA   GLN  52           HA       GLN  52  28.194  21.062  21.062
  336   1HB   GLN  52           HB2      GLN  52  27.234  21.366  21.366
  337   2HB   GLN  52           HB1      GLN  52  28.136  20.008  20.008
  338   1HG   GLN  52           HG2      GLN  52  29.871  21.902  21.902
  339   2HG   GLN  52           HG1      GLN  52  29.085  22.772  22.772
  340   1HE2  GLN  52          HE22      GLN  52  29.972  19.614  19.614
  341   2HE2  GLN  52          HE21      GLN  52  28.496  20.047  20.047
  342    H    THR  53           HN       THR  53  26.749  19.024  19.024
  343    HA   THR  53           HA       THR  53  23.901  19.720  19.720
  344    HB   THR  53           HB       THR  53  25.609  17.455  17.455
  345    HG1  THR  53           HG1      THR  53  23.865  19.292  19.292
  346   1HG2  THR  53          HG21      THR  53  22.589  17.710  17.710
  347   2HG2  THR  53          HG23      THR  53  23.486  16.565  16.565
  348   3HG2  THR  53          HG22      THR  53  23.541  16.436  16.436
  349    H    GLY  54           HN       GLY  54  22.357  18.047  18.047
  350   1HA   GLY  54           HA2      GLY  54  23.280  16.133  16.133
  351   2HA   GLY  54           HA1      GLY  54  22.584  17.571  17.571
  352    H    TYR  55           HN       TYR  55  21.819  14.521  14.521
  353    HA   TYR  55           HA       TYR  55  19.307  14.846  14.846
  354   1HB   TYR  55           HB2      TYR  55  20.332  12.643  12.643
  355   2HB   TYR  55           HB1      TYR  55  18.862  12.534  12.534
  356    HD1  TYR  55           HD1      TYR  55  21.128  14.526  14.526
  357    HD2  TYR  55           HD2      TYR  55  20.381  10.457  10.457
  358    HE1  TYR  55           HE1      TYR  55  22.449  13.812  13.812
  359    HE2  TYR  55           HE2      TYR  55  21.701   9.744   9.744
  360    HH   TYR  55           HH       TYR  55  23.796  11.132  11.132
  361    H    ILE  56           HN       ILE  56  17.808  16.214  16.214
  362    HA   ILE  56           HA       ILE  56  17.355  16.021  16.021
  363    HB   ILE  56           HB       ILE  56  15.960  18.052  18.052
  364   1HG1  ILE  56          HG12      ILE  56  16.895  18.557  18.557
  365   2HG1  ILE  56          HG11      ILE  56  15.821  17.161  17.161
  366   1HG2  ILE  56          HG22      ILE  56  18.750  18.091  18.091
  367   2HG2  ILE  56          HG21      ILE  56  17.852  19.545  19.545
  368   3HG2  ILE  56          HG23      ILE  56  18.307  18.385  18.385
  369   1HD1  ILE  56          HD11      ILE  56  14.231  18.604  18.604
  370   2HD1  ILE  56          HD13      ILE  56  15.258  19.982  19.982
  371   3HD1  ILE  56          HD12      ILE  56  14.433  19.104  19.104
  372    HA   PRO  57           HA       PRO  57  13.810  13.477  13.477
  373   1HB   PRO  57           HB2      PRO  57  12.475  14.632  14.632
  374   2HB   PRO  57           HB1      PRO  57  13.376  13.113  13.113
  375   1HG   PRO  57           HG2      PRO  57  14.164  15.588  15.588
  376   2HG   PRO  57           HG1      PRO  57  15.052  14.061  14.061
  377   1HD   PRO  57           HD1      PRO  57  15.641  16.496  16.496
  378   2HD   PRO  57           HD2      PRO  57  16.534  14.964  14.964
  379    H    SER  58           HN       SER  58  11.423  13.710  13.710
  380    HA   SER  58           HA       SER  58  10.834  16.296  16.296
  381   1HB   SER  58           HB2      SER  58   8.592  14.665  14.665
  382   2HB   SER  58           HB1      SER  58   9.885  14.849  14.849
  383    HG   SER  58           HG       SER  58   9.726  12.940  12.940
  384    H    ASN  59           HN       ASN  59   9.852  14.426  14.426
  385    HA   ASN  59           HA       ASN  59   7.714  16.418  16.418
  386   1HB   ASN  59           HB2      ASN  59   7.917  13.620  13.620
  387   2HB   ASN  59           HB1      ASN  59   7.934  14.352  14.352
  388   1HD2  ASN  59          HD22      ASN  59   4.586  15.567  15.567
  389   2HD2  ASN  59          HD21      ASN  59   6.060  15.717  15.717
  390    H    TYR  60           HN       TYR  60  10.397  17.318  17.318
  391    HA   TYR  60           HA       TYR  60  10.467  17.823  17.823
  392   1HB   TYR  60           HB2      TYR  60  12.687  16.755  16.755
  393   2HB   TYR  60           HB1      TYR  60  13.066  17.756  17.756
  394    HD1  TYR  60           HD2      TYR  60  11.146  14.716  14.716
  395    HD2  TYR  60           HD1      TYR  60  13.042  16.803  16.803
  396    HE1  TYR  60           HE2      TYR  60  10.813  12.780  12.780
  397    HE2  TYR  60           HE1      TYR  60  12.710  14.867  14.867
  398    HH   TYR  60           HH       TYR  60  11.955  12.802  12.802
  399    H    VAL  61           HN       VAL  61  10.077  19.156  19.156
  400    HA   VAL  61           HA       VAL  61  11.017  21.780  21.780
  401    HB   VAL  61           HB       VAL  61  13.041  21.168  21.168
  402   1HG1  VAL  61          HG13      VAL  61  11.546  19.267  19.267
  403   2HG1  VAL  61          HG12      VAL  61  11.918  20.383  20.383
  404   3HG1  VAL  61          HG11      VAL  61  13.224  19.645  19.645
  405   1HG2  VAL  61          HG23      VAL  61  12.151  23.359  23.359
  406   2HG2  VAL  61          HG22      VAL  61  13.150  22.596  22.596
  407   3HG2  VAL  61          HG21      VAL  61  11.393  22.563  22.563
  408    H    ALA  62           HN       ALA  62  10.308  23.493  23.493
  409    HA   ALA  62           HA       ALA  62   8.235  22.706  22.706
  410   1HB   ALA  62           HB3      ALA  62   7.169  22.752  22.752
  411   2HB   ALA  62           HB2      ALA  62   7.396  24.499  24.499
  412   3HB   ALA  62           HB1      ALA  62   6.375  23.696  23.696
  413    HA   PRO  63           HA       PRO  63   9.593  26.350  26.350
  414   1HB   PRO  63           HB2      PRO  63   6.975  27.041  27.041
  415   2HB   PRO  63           HB1      PRO  63   8.288  26.250  26.250
  416   1HG   PRO  63           HG2      PRO  63   5.834  25.065  25.065
  417   2HG   PRO  63           HG1      PRO  63   7.145  24.276  24.276
  418   1HD   PRO  63           HD1      PRO  63   6.464  23.979  23.979
  419   2HD   PRO  63           HD2      PRO  63   7.787  23.194  23.194
  420    H    SER  64           HN       SER  64   9.929  28.364  28.364
  421    HA   SER  64           HA       SER  64   7.802  30.071  30.071
  422   1HB   SER  64           HB2      SER  64   7.547  28.982  28.982
  423   2HB   SER  64           HB1      SER  64   9.192  28.343  28.343
  424    HG   SER  64           HG       SER  64   9.960  30.340  30.340
  425   1H    ALA  71           HT1      ALA  71   9.292  16.673  16.673
  426   2H    ALA  71           HT3      ALA  71  10.366  17.932  17.932
  427   3H    ALA  71           HT2      ALA  71   9.614  17.052  17.052
  428    HA   ALA  71           HA       ALA  71  11.909  16.358  16.358
  429   1HB   ALA  71           HB3      ALA  71  10.991  15.693  15.693
  430   2HB   ALA  71           HB2      ALA  71  12.536  15.200  15.200
  431   3HB   ALA  71           HB1      ALA  71  12.185  16.912  16.912
  432    H    PHE  72           HN       PHE  72  10.016  15.317  15.317
  433    HA   PHE  72           HA       PHE  72  10.388  12.497  12.497
  434   1HB   PHE  72           HB2      PHE  72   8.235  13.520  13.520
  435   2HB   PHE  72           HB1      PHE  72   7.619  12.431  12.431
  436    HD1  PHE  72           HD2      PHE  72   9.472  10.366  10.366
  437    HD2  PHE  72           HD1      PHE  72   8.679  12.426  12.426
  438    HE1  PHE  72           HE2      PHE  72  10.313   8.442   8.442
  439    HE2  PHE  72           HE1      PHE  72   9.520  10.498  10.498
  440    HZ   PHE  72           HZ       PHE  72  10.337   8.506   8.506
  441    H    ALA  73           HN       ALA  73  10.742  13.867  13.867
  442    HA   ALA  73           HA       ALA  73   8.451  14.554  14.554
  443   1HB   ALA  73           HB2      ALA  73  11.352  14.118  14.118
  444   2HB   ALA  73           HB1      ALA  73  10.293  13.957  13.957
  445   3HB   ALA  73           HB3      ALA  73  10.320  15.464  15.464
  446    HA   PRO  74           HA       PRO  74   6.863  10.782  10.782
  447   1HB   PRO  74           HB2      PRO  74   7.057  11.395  11.395
  448   2HB   PRO  74           HB1      PRO  74   5.632  11.503  11.503
  449   1HG   PRO  74           HG2      PRO  74   7.201  13.673  13.673
  450   2HG   PRO  74           HG1      PRO  74   5.772  13.782  13.782
  451   1HD   PRO  74           HD1      PRO  74   8.516  14.313  14.313
  452   2HD   PRO  74           HD2      PRO  74   7.082  14.416  14.416
  453    HA   PRO  75           HA       PRO  75  10.361   8.260   8.260
  454   1HB   PRO  75           HB2      PRO  75   8.743   6.187   6.187
  455   2HB   PRO  75           HB1      PRO  75   9.432   6.244   6.244
  456   1HG   PRO  75           HG2      PRO  75   6.664   6.574   6.574
  457   2HG   PRO  75           HG1      PRO  75   7.350   6.607   6.607
  458   1HD   PRO  75           HD1      PRO  75   6.353   8.831   8.831
  459   2HD   PRO  75           HD2      PRO  75   7.050   8.865   8.865
  460    H    LEU  76           HN       LEU  76  11.678   8.473   8.473
  461    HA   LEU  76           HA       LEU  76  10.896   9.507   9.507
  462   1HB   LEU  76           HB2      LEU  76  13.214   7.668   7.668
  463   2HB   LEU  76           HB1      LEU  76  13.042   8.532   8.532
  464    HG   LEU  76           HG       LEU  76  12.931   9.995   9.995
  465   1HD1  LEU  76          HD11      LEU  76  15.078   8.548   8.548
  466   2HD1  LEU  76          HD13      LEU  76  15.456   9.769   9.769
  467   3HD1  LEU  76          HD12      LEU  76  15.261  10.236  10.236
  468   1HD2  LEU  76          HD21      LEU  76  12.484  10.753  10.753
  469   2HD2  LEU  76          HD23      LEU  76  12.896  11.848  11.848
  470   3HD2  LEU  76          HD22      LEU  76  14.162  11.227  11.227
  471    HA   PRO  77           HA       PRO  77   8.698   6.254   6.254
  472   1HB   PRO  77           HB2      PRO  77   9.610   7.025   7.025
  473   2HB   PRO  77           HB1      PRO  77   8.052   7.384   7.384
  474   1HG   PRO  77           HG2      PRO  77  10.240   9.204   9.204
  475   2HG   PRO  77           HG1      PRO  77   8.681   9.563   9.563
  476   1HD   PRO  77           HD1      PRO  77  11.266   9.372   9.372
  477   2HD   PRO  77           HD2      PRO  77   9.704   9.749   9.749
  478    H    ARG  78           HN       ARG  78   9.293   4.694   4.694
  479    HA   ARG  78           HA       ARG  78  11.812   3.382   3.382
  480   1HB   ARG  78           HB2      ARG  78   9.536   2.200   2.200
  481   2HB   ARG  78           HB1      ARG  78   9.950   2.387   2.387
  482   1HG   ARG  78           HG2      ARG  78  11.061   0.420   0.420
  483   2HG   ARG  78           HG1      ARG  78  12.302   1.422   1.422
  484   1HD   ARG  78           HD2      ARG  78  10.863   1.113   1.113
  485   2HD   ARG  78           HD1      ARG  78  10.190  -0.273  -0.273
  486    HE   ARG  78           HE       ARG  78  13.100  -0.253  -0.253
  487   1HH1  ARG  78          HH21      ARG  78  10.240  -1.041  -1.041
  488   2HH1  ARG  78          HH22      ARG  78  11.002  -2.289  -2.289
  489   1HH2  ARG  78          HH11      ARG  78  14.104  -1.878  -1.878
  490   2HH2  ARG  78          HH12      ARG  78  13.186  -2.762  -2.762
  491    H    ARG  79           HN       ARG  79  13.411   4.736   4.736
  492    HA   ARG  79           HA       ARG  79  13.506   5.943   5.943
  493   1HB   ARG  79           HB2      ARG  79  15.704   4.469   4.469
  494   2HB   ARG  79           HB1      ARG  79  15.996   5.452   5.452
  495   1HG   ARG  79           HG2      ARG  79  14.482   7.153   7.153
  496   2HG   ARG  79           HG1      ARG  79  15.398   6.290   6.290
  497   1HD   ARG  79           HD2      ARG  79  17.429   6.745   6.745
  498   2HD   ARG  79           HD1      ARG  79  16.394   8.041   8.041
  499    HE   ARG  79           HE       ARG  79  16.349   8.348   8.348
  500   1HH1  ARG  79          HH21      ARG  79  18.745   8.135   8.135
  501   2HH1  ARG  79          HH22      ARG  79  19.877   9.150   9.150
  502   1HH2  ARG  79          HH11      ARG  79  17.818   9.673   9.673
  503   2HH2  ARG  79          HH12      ARG  79  19.353  10.019  10.019