*HEADER    ELECTRON TRANSPORT                      02-MAY-02   1LMS              
*TITLE     STRUCTURAL MODEL FOR AN ALKALINE FORM OF FERRICYTOCHROME C            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C, ISO-1;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    ALKALINE TRANSITION; CYTOCHROME C; NMR STRUCTURE                      
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.ASSFALG, I.BERTINI, A.DOLFI, P.TURANO, A.G.MAUK,                    
*AUTHOR   2 F.I.ROSELL, H.B.GRAY                                                 
*REVDAT   1   18-MAR-03 1LMS    0                                                
Experimental NOESY cross peak intensities (last column) and corresponding upper distance limits (3rd column, ?). 
The nomenclature of the atoms is that used by the program DYANA (J Mol Biol. 1997 Oct 17;273(1):283-98). 
The heme is called HEC 18, and this residue includes atoms from both the heme and the proximal ligand histine. 
The reported volumes of cross-peaks involving pseudoatoms correspond to the measured volumes divided by the 
number of atoms represented by the pseudoatom (a symbol *2 or *4 is present in these cases).

  Atom 1		Atom 2		upl	volume		

-3	PHE								
 		HN	-3	PHE	QB	4.4	40340	*2	
 		HN	-2	LYS	HN	4.3	23790		
 		HA	-3	PHE	QB	4.6	55950	*2	
14	LEU								
 		HN	9	LEU	HA	4.3	21320		
 		HN	9	LEU	HB2	4	33540		
 		HN	9	LEU	HB3	4.1	30150		
 		HN	9	LEU	HG	4.2	48250		
 		HN	9	LEU	QD1	5.7	16080		
 		HN	9	LEU	QD2	5.7	16779		
 		HN	10	PHE	HN	4.6	16389		
 		HN	10	PHE	QB	6.5	345.8	*2	
 		HN	11	LYS	HN	5.2	8000		
 		HA	9	LEU	HB3	5.5	2958		
 		HA	9	LEU	QD1	3.9	104800		
 		HA	10	PHE	HN	5.5	3729		
 		HA	11	LYS	HN	5.5	584		
 		HA	11	LYS	HG2	5.5	3266		
 		HA	12	THR	HN	5.4	6873		
 		HB2	9	LEU	QD1	3.6	165400		
 		HB2	10	PHE	HN	5.5	2810.1		
 		HB2	94	LEU	HN	5.5	1236		
 		HB3	9	LEU	HG	3.2	199000		
 		HB3	9	LEU	QD1	5.4	21620		
 		HB3	10	PHE	HN	4.3	21750		
 		HB3	13	ARG	QG	4.8	46955	*2	
 		HB3	94	LEU	QD2	3.3	163900		
 		HG	10	PHE	HN	5.5	12660		
 		HG	13	ARG	QG	6.5	9325	*2	
 		HG	90	ASP	HA	5.5	10370		
 		HG	90	ASP	HB2	4.4	35990		
 		HG	93	ASP	QB	5.4	35950	*2	
 		QD1	10	PHE	HN	6.5	1927		
 		QD1	90	ASP	HA	6.5	5900		
 		QD1	91	ARG	HA	5	72700		
 		QD1	94	LEU	HN	6.5	1980		
 		QD1	94	LEU	QD2	4.3	166000		
 		QD2	10	PHE	HN	6.5	2777.1		
10	PHE								
 		HN	10	PHE	HA	4	30810		
 		HN	10	PHE	QB	4.1	60100	*2	
 		HN	10	PHE	CG	7.5	7563	*2	
 		HN	11	LYS	HN	4.6	15850		
 		HN	11	LYS	QB	6.5	1386	*2	
 		HN	90	ASP	HB3	5.5	2860		
 		HN	94	LEU	HB2	5.5	1444.2		
 		HN	94	LEU	QD2	6.5	34950		
 		HA	10	PHE	QB	6.5	1242	*2	
 		HA	10	PHE	CG	5.8	25460	*2	
 		HA	11	LYS	HN	3.8	40410		
 		HA	13	ARG	HN	5	11180		
 		HA	14	CYS	HN	4.3	26960		
 		HA	14	CYS	HB2	4.9	11930		
 		HA	14	CYS	HB3	3.7	70280		
 		HA	15	LEU	HN	4.9	6354		
 		HA	94	LEU	QD2	3.3	185800		
 		QB	10	PHE	CG	7.4	38700	*4	
 		QB	11	LYS	HN	5.7	14136	*2	
 		QB	94	LEU	QD2	7.5	28380	*2	
 		QB	97	TYR	HB2	4.6	50900	*2	
 		CG	10	PHE	HZ	7.5	321	*2	
 		CG	11	LYS	HN	7.5	8524.5	*2	
 		CG	11	LYS	QB	8.5	1897.2	*4	
 		CG	14	CYS	HN	7.5	274.5	*2	
 		CG	14	CYS	HB2	7.5	15335	*2	
 		CG	14	CYS	HB3	7.3	26175	*2	
 		CG	15	LEU	HN	7.5	21055	*2	
 		CG	15	LEU	QD1	8.5	31305	*2	
 		CG	15	LEU	QD2	8.5	11395	*2	
 		CG	18	HEC	HB2	7.5	279	*2	
 		CG	19	THR	HA	7.5	9710	*2	
 		CG	94	LEU	QD2	7.6	60200	*2	
 		CG	98	LEU	HG	7.5	3298	*2	
 		CG	98	LEU	QD1	8.5	15400	*2	
 		HZ	18	HEC	HN	5.5	2432		
 		HZ	18	HEC	HA	5.5	951		
 		HZ	18	HEC	HB2	5.2	27110		
 		HZ	18	HEC	HB3	5.5	16370		
 		HZ	32	LEU	QD2	5.5	62240		
11	LYS								
 		HN	11	LYS	HA	3.7	47460		
 		HN	11	LYS	QB	4.2	56450	*2	
 		HN	11	LYS	HG2	3.9	69930		
 		HN	11	LYS	HG3	4.2	49500		
 		HN	11	LYS	HD2	4.3	47610		
 		HN	11	LYS	HD3	5	21396		
 		HN	12	THR	HN	3.5	66480		
 		HN	12	THR	QG2	6.5	9859		
 		HA	11	LYS	HG2	5	21950		
 		HA	11	LYS	HG3	4.2	51210		
 		HA	11	LYS	HD2	5.5	5989		
 		QB	11	LYS	HD3	4.8	79750	*2	
 		QB	12	THR	HN	5.5	17205	*2	
 		QB	15	LEU	QD2	4.8	118000	*2	
 		HG2	12	THR	HN	5.5	2907		
 		HG3	12	THR	HN	5.5	16330		
 		HD3	12	THR	QG2	6.5	22860		
12	THR								
 		HN	12	THR	HA	3.9	39210		
 		HN	12	THR	HB	5.1	9621		
 		HN	12	THR	QG2	4.9	36130		
 		HN	13	ARG	HN	4.1	28023		
 		HN	16	GLN	HE21	5.3	25866		
 		HA	12	THR	QG2	3.4	236300		
 		HA	13	ARG	HN	4.6	15423		
 		HA	16	GLN	HE21	5.5	1982.7		
 		HA	16	GLN	HE22	5.5	2167.8		
 		HB	13	ARG	HN	5.5	6411		
 		QG2	13	ARG	HN	6.5	19670		
13	ARG								
 		HN	13	ARG	HA	4.1	27969		
 		HN	13	ARG	HB2	4	33450		
 		HN	13	ARG	HB3	4.2	24315		
 		HN	13	ARG	QG	6.1	19300	*2	
 		HN	14	CYS	HN	3.1	110670		
 		HN	14	CYS	HA	5.5	4269		
 		HN	14	CYS	HB3	5.5	6219		
 		HN	15	LEU	HN	5.2	8262		
 		HA	13	ARG	HB2	4.6	16230		
 		HA	13	ARG	HB3	4.6	15470		
 		HA	13	ARG	QG	6.1	6365	*2	
 		HA	14	CYS	HN	5.1	9375		
 		HB2	13	ARG	QG	4.6	104800	*2	
 		HB2	14	CYS	HN	5.5	972		
 		HB3	13	ARG	QG	5	63900	*2	
 		HB3	14	CYS	HN	4.4	21231		
 		HB3	15	LEU	HN	5.5	2448.3		
 		QG	14	CYS	HN	6.5	9789	*2	
 		QG	82	PHE	HZ	5.3	37000	*2	
 		QG	90	ASP	HA	6.5	3430.5	*2	
 		QG	94	LEU	HB3	6.5	13370	*2	
 		QG	94	LEU	QD2	7.5	1387	*2	
14	CYS								
 		HN	14	CYS	HA	4.2	24960		
 		HN	14	CYS	HB2	4.1	30010		
 		HN	14	CYS	HB3	4.1	29637		
 		HN	15	LEU	HN	3.3	87790		
 		HN	15	LEU	HA	4.5	18765		
 		HN	15	LEU	QD2	6.5	14420		
 		HA	14	CYS	HB2	3.7	47140		
 		HA	14	CYS	HB3	5	10900		
 		HA	15	LEU	HN	5.5	2725		
 		HB3	15	LEU	HN	4.1	29865		
15	LEU								
 		HN	15	LEU	HA	3.6	58140		
 		HN	15	LEU	QD1	5.2	74780		
 		HN	15	LEU	QD2	4.2	73590		
 		HA	15	LEU	QD1	6.5	7375		
 		HA	15	LEU	QD2	3.3	294500		
 		HA	17	CYS	HN	5.5	2192		
 		HA	19	THR	HA	5.5	3007		
16	GLN								
 		HN	16	GLN	HA	4.7	14820		
 		HN	16	GLN	HB2	4.2	25005		
 		HN	16	GLN	HB3	4.1	28635		
 		HN	16	GLN	HE22	5.5	3789		
 		HA	16	GLN	HE21	4.8	26310		
 		HA	16	GLN	HE22	5.5	9852		
 		HB2	16	GLN	HE21	5.1	19923		
 		HB2	16	GLN	HE22	5.5	10431		
 		HB3	16	GLN	HE21	5.5	6210		
 		HG2	16	GLN	HE21	5.5	4623		
 		HG2	16	GLN	HE22	5.5	5190		
 		HG3	16	GLN	HE22	5.5	4449		
 		HE22	18	HEC	HB2	5.5	2133		
 		HE22	18	HEC	QM3	6.5	3565		
17	CYS								
 		HN	17	CYS	HA	5.5	2098		
 		HN	17	CYS	QB	6.1	1812	*2	
 		HN	18	HEC	HN	4.3	21600		
 		QB	18	HEC	HN	6.5	539.7	*2	
18	HEC								
 		HN	18	HEC	HD2	5			
 		HA	30	PRO	HA	5			
 		HB2	18	HEC	HD2	5			
 		HB3	18	HEC	HD1	5			
 		HD1	18	HEC	HE1	5			
 		QM8	59	TRP	HE1	5			
 		HN	18	HEC	HA	4	31730		
 		HN	18	HEC	HB2	4.5	17450		
 		HN	18	HEC	HB3	4.6	16910		
 		HN	18	HEC	QM3	6.1	11280		
 		HN	19	THR	HN	5.5	3826		
 		HA	18	HEC	HB2	4.5	18170		
 		HA	18	HEC	HB3	4	32260		
 		HA	19	THR	HN	3.2	100500		
 		HA	19	THR	HA	5.5	1947		
 		HA	19	THR	QG2	6.5	14600		
 		HA	30	PRO	HA	5.5	674		
 		HA	31	ASN	HA	4.8	6653		
 		HA	32	LEU	QD2	6.5	2291		
 		HB2	19	THR	HN	5.5	3409		
 		HB2	32	LEU	QD2	6.5	2306		
 		HB3	19	THR	HN	5.4	6965		
 		HB3	19	THR	HA	5.5	4173		
 		HB3	29	GLY	HN	5.5	1185		
 		HB3	32	LEU	HB3	5.5	1813		
 		HB3	32	LEU	QD2	6.5	17890		
 		HD1	32	LEU	QD2	6.5	1348		
 		QM8	18	HEC	HDM	6.1	11300		
 		QM8	32	LEU	QD2	6.5	14250		
 		QM8	64	MET	QE	6.5	2461		
 		HDM	18	HEC	QM1	5.5	19060		
 		QM1	18	HEC	HT2A	4.4	58020		
 		QM1	18	HEC	QT2	5.2	27030		
 		QM1	32	LEU	QD2	6.5	4697		
 		HT2A	18	HEC	QT2	3.5	178500		
 		HT2A	71	PRO	HA	3.8	45330		
 		HT2A	72	ALA	HN	5.4	25670		
 		HT2A	73	LYS	HN	5.5	3064		
 		HT2A	73	LYS	HB2	5.5	262		
 		HT2A	73	LYS	HG2	5.5	5874		
 		HT2A	82	PHE	CG	7.5	6220	*2	
 		HT2A	82	PHE	CZ	7.5	16130	*2	
 		HT2A	82	PHE	HZ	4.8	30410		
 		QT2	72	ALA	HN	6.5	13480		
 		QT2	82	PHE	CG	8.5	4832.5	*2	
 		QT2	82	PHE	CZ	8.5	8985	*2	
 		QT2	82	PHE	HZ	6.5	3486		
 		QM5	29	GLY	HA1	6.3	50840		
 		QM5	29	GLY	HA2	6.5	27230		
 		QM5	30	PRO	HG3	6.5	5177		
 		QM5	30	PRO	HD2	6.5	19990		
 		QM5	30	PRO	HD3	6.5	12390		
19	THR								
 		HN	19	THR	HA	4.8	12640		
 		HN	19	THR	HB	5.5	1491.6		
 		HN	19	THR	QG2	4.9	34890		
 		HN	31	ASN	HA	3.9	24850		
 		HN	32	LEU	HN	5.5	3095		
 		HA	19	THR	HB	3.2	105100		
 		HA	19	THR	QG2	4	99030		
 		HA	20	VAL	HN	5.5	2957		
 		HA	20	VAL	HA	5.5	1738		
 		HB	19	THR	QG2	4	97170		
 		HB	21	GLU	HN	5.5	3783		
 		HB	31	ASN	HD21	5.5	1559.1		
 		QG2	20	VAL	HN	6.5	3708		
 		QG2	30	PRO	HA	6.5	669		
 		QG2	31	ASN	HD21	6.5	5289		
 		QG2	31	ASN	HD22	6.5	3782		
 		QG2	32	LEU	HN	6.5	2175		
20	VAL								
 		HN	20	VAL	HA	5.5	2781		
 		HA	31	ASN	HA	5.3	3558		
 		HA	31	ASN	HD21	5.5	2177.7		
 		HA	32	LEU	HN	3.9	24432		
 		HA	33	HIS	HN	5.1	4497		
24	GLY								
 		HA1	31	ASN	HD21	5.5	12912		
29	GLY								
 		HN	29	GLY	HA1	5.4	7299		
 		HN	29	GLY	HA2	3.9	37030		
 		HN	30	PRO	HA	5.5	2960		
 		HA1	30	PRO	HA	4.8	12320		
 		HA1	30	PRO	HD2	3.9	44300		
 		HA1	30	PRO	HD3	3	76540		
 		HA2	30	PRO	HA	5.1	9696		
 		HA2	30	PRO	HD2	3.3	60680		
 		HA2	48	TYR	CZ	7.5	656.5	*2	
30	PRO								
 		HA	30	PRO	HD2	5			
 		HA	30	PRO	HG2	4.7	27850		
 		HA	30	PRO	HG3	5.5	1801		
 		HA	30	PRO	HD3	5.5	780		
 		HA	32	LEU	QD2	6.5	288		
 		HG2	30	PRO	HD3	5.5	2754		
 		HG2	46	TYR	HN	5.5	7105		
 		HG3	30	PRO	HD2	4.5	34440		
 		HG3	30	PRO	HD3	3.4	139700		
 		HG3	46	TYR	HN	5.5	4502		
 		HG3	48	TYR	CZ	7.5	983.5	*2	
 		HD3	46	TYR	HN	5.5	1876		
31	ASN								
 		HA	31	ASN	HD21	5.5	5752		
 		HA	31	ASN	HD22	5.5	7349		
 		HA	32	LEU	HN	3.3	91350		
 		HA	32	LEU	HB2	5.5	2671		
 		HA	33	HIS	HN	4.9	12354		
 		HD21	32	LEU	HN	5.5	2280.6		
32	LEU								
 		HN	32	LEU	HA	4.7	14670		
 		HN	32	LEU	HB2	4	33210		
 		HN	32	LEU	HB3	4.6	16340		
 		HN	32	LEU	QD1	6.5	1980		
 		HN	32	LEU	QD2	5.5	19368		
 		HN	33	HIS	HN	3.7	47340		
 		HA	32	LEU	HB3	5.5	2293		
 		HA	32	LEU	QD1	6	12090		
 		HA	32	LEU	QD2	6.5	143		
 		HA	33	HIS	HN	4.9	11124		
 		HA	33	HIS	HA	5.5	564		
 		HB2	32	LEU	QD1	6.5	3297		
 		HB2	33	HIS	HN	4.4	19980		
 		HB2	33	HIS	HA	5.5	6503		
 		HB3	32	LEU	QD1	3.3	275600		
 		HB3	33	HIS	HN	3.6	55080		
 		QD2	33	HIS	HN	6.5	12411		
33	HIS								
 		HN	33	HIS	HA	4	33810		
 		HN	33	HIS	HB2	3.4	74790		
 		HN	33	HIS	HB3	3.4	73590		
 		HA	33	HIS	HB3	5.5	4775		
 		HA	34	GLY	HA2	5.4	7459		
 		HA	98	LEU	QD1	6.5	4266		
 		HA	102	THR	QG2	6.5	1854		
34	GLY								
 		HA1	35	ILE	HN	4.3	21880		
 		HA2	35	ILE	HN	3.9	38990		
 		HA2	36	PHE	HN	5.1	9901		
 		HA2	36	PHE	CG	7.5	6425	*2	
 		HA2	36	PHE	HZ	5.5	5233		
 		HA2	98	LEU	HA	5.2	4287		
 		HA2	98	LEU	QD2	6.5	648		
35	ILE								
 		HN	35	ILE	HA	3.4	76320		
 		HN	35	ILE	HB	3.2	97460		
 		HN	35	ILE	QG2	6.5	2657.7		
 		HN	35	ILE	HG12	5.4	14890		
 		HN	35	ILE	HG13	5.5	8457		
 		HN	35	ILE	QD1	4.6	46290		
 		HN	36	PHE	HN	4.2	26421		
 		HN	36	PHE	CZ	7.5	3388	*2	
 		HN	98	LEU	QD1	6.5	13070		
 		HN	98	LEU	QD2	6.5	1108		
 		HA	35	ILE	HB	4.2	24550		
 		HA	35	ILE	HG12	4.1	54100		
 		HA	35	ILE	HG13	5.1	19880		
 		HA	35	ILE	QD1	5.2	26180		
 		HA	36	PHE	HN	4.1	27180		
 		HA	38	ARG	HB3	5.5	516		
 		HA	38	ARG	QG	6.5	98	*2	
 		HA	38	ARG	QD	6.5	1093.5	*2	
 		HB	35	ILE	HG12	3.9	74640		
 		HB	35	ILE	QD1	3.9	106400		
 		HB	36	PHE	HN	5.5	3973		
 		HB	95	ILE	QD1	4.9	73580		
 		HB	98	LEU	QD1	4.4	90000		
 		QG2	35	ILE	QD1	4.6	169100		
 		QG2	36	PHE	HN	6.5	711		
 		QG2	36	PHE	HZ	6.5	1232		
 		QG2	64	MET	QE	7.5	396		
 		QG2	95	ILE	QG1	7.5	2862.5	*2	
 		QG2	98	LEU	QD1	5.5	86830		
 		HG12	35	ILE	QD1	4.8	40450		
 		HG12	38	ARG	HB3	3	74720		
 		HG12	59	TRP	HD1	5.5	20480		
 		HG13	35	ILE	QD1	4.8	38320		
 		HG13	59	TRP	HB3	5.5	8176		
 		HG13	59	TRP	HD1	5.5	1992		
 		HG13	59	TRP	HE3	5.5	5670		
 		HG13	68	LEU	QD1	6.5	6410		
 		HG13	94	LEU	QD2	6.5	1769		
 		QD1	36	PHE	HN	6.5	34570		
 		QD1	36	PHE	CG	8.5	19545	*2	
 		QD1	36	PHE	CZ	8.5	9420	*2	
 		QD1	59	TRP	HB3	6.5	1306		
 		QD1	68	LEU	QD1	4.3	234900		
 		QD1	94	LEU	HG	5.9	56270		
 		QD1	94	LEU	QD2	4.5	132400		
 		QD1	95	ILE	QG1	7.5	1056	*2	
 		QD1	95	ILE	QD1	5.8	77110		
 		QD1	98	LEU	QD1	7.5	12020		
36	PHE								
 		HN	36	PHE	HA	4.5	17760		
 		HN	36	PHE	QB	4.5	35580	*2	
 		HN	36	PHE	CG	6.6	31125	*2	
 		HN	36	PHE	CZ	6.5	1715	*2	
 		HN	37	GLY	HN	4.6	16005		
 		HN	38	ARG	HN	3.8	57470		
 		HN	64	MET	QE	6.5	889		
 		HN	99	LYS	QD	6.5	11500	*2	
 		HN	103	GLU	QG	6.5	3229.5	*2	
 		HA	36	PHE	CG	6.5	10225	*2	
 		HA	37	GLY	HN	5.5	2460		
 		HA	59	TRP	HB2	5.5	1997		
 		QB	36	PHE	CG	7.7	29225	*4	
 		QB	36	PHE	CZ	8.5	1590	*4	
 		QB	37	GLY	HN	5.7	15030	*2	
 		CG	36	PHE	CZ	8.5	35175	*4	
 		CG	37	GLY	HN	7.5	5580	*2	
 		CG	95	ILE	QG1	8.5	2810	*4	
 		CG	95	ILE	QD1	8.5	1902.5	*2	
 		CG	99	LYS	HA	7.1	28240	*2	
 		CG	99	LYS	QG	8.5	2114.5	*4	
 		CG	99	LYS	QD	8.5	2530	*4	
 		CZ	36	PHE	HZ	6.3	43730	*2	
 		CZ	64	MET	QE	8.5	1700	*2	
 		CZ	95	ILE	QG1	8.5	1391.8	*4	
 		CZ	95	ILE	QD1	8.5	13875	*2	
 		CZ	98	LEU	HN	7.5	1507.5	*2	
 		CZ	98	LEU	HA	7.5	1049	*2	
 		CZ	98	LEU	HB2	7.5	6580	*2	
 		CZ	98	LEU	HG	7.5	19715	*2	
 		CZ	98	LEU	QD1	8.5	10430	*2	
 		CZ	98	LEU	QD2	8.5	168	*2	
 		CZ	99	LYS	HN	7.5	1603	*2	
 		CZ	99	LYS	HA	7.5	11655	*2	
 		CZ	99	LYS	QB	8.5	170.8	*4	
 		CZ	99	LYS	QG	8.5	1466	*4	
 		CZ	99	LYS	QD	8.5	9380	*4	
 		CZ	103	GLU	HA	7.5	989.5	*2	
 		CZ	103	GLU	HB2	7.5	3376	*2	
 		HZ	95	ILE	HA	5.5	7893		
 		HZ	95	ILE	QG1	6.5	4309	*2	
 		HZ	95	ILE	QD1	6.5	27240		
 		HZ	98	LEU	HN	5.5	1912		
 		HZ	98	LEU	HB2	5.5	8345		
 		HZ	98	LEU	QD1	6.5	16920		
 		HZ	99	LYS	HN	5.5	826		
 		HZ	99	LYS	HA	5.5	2760		
 		HZ	99	LYS	QB	6.5	7625	*2	
 		HZ	99	LYS	QD	6.5	12420	*2	
37	GLY								
 		HN	37	GLY	HA1	3	134670		
 		HN	37	GLY	HA2	3.4	71880		
 		HN	38	ARG	HN	3.8	40580		
 		HN	59	TRP	HN	5.5	1194.9		
 		HN	59	TRP	HB2	5.5	4759		
 		HA1	38	ARG	HN	4.1	28977		
 		HA1	59	TRP	HN	3.9	22450		
 		HA2	38	ARG	HN	3.9	35040		
38	ARG								
 		HN	38	ARG	HA	5.5	2535.9		
 		HN	38	ARG	HB2	5.1	9924		
 		HN	38	ARG	HB3	4.7	14958		
 		HN	38	ARG	QG	6.5	7250	*2	
 		HN	38	ARG	QD	6.5	11390	*2	
 		HN	39	HIS	HN	5.2	8862		
 		HN	58	LEU	QD1	6.5	10476		
 		HN	58	LEU	QD2	6.5	646		
 		HN	59	TRP	HD1	5.5	4548		
 		HA	39	HIS	HN	5.5	3059		
 		HB2	39	HIS	HN	5.3	7570		
 		HB2	42	GLN	HN	4.8	13368		
 		HB2	59	TRP	HD1	5.5	1960		
 		HB2	59	TRP	HE1	5.5	20520		
 		HB3	39	HIS	HN	3.8	43920		
 		HB3	59	TRP	HD1	5.5	1812		
 		QG	39	HIS	HN	6.5	5419.5	*2	
 		QG	59	TRP	HB2	6.5	360	*2	
 		QG	59	TRP	HB3	6.5	4804	*2	
 		QG	59	TRP	HD1	6.5	2005.5	*2	
 		QG	59	TRP	HE1	6.5	707	*2	
 		QD	39	HIS	HN	6.5	7290	*2	
 		QD	59	TRP	HD1	6.5	8120	*2	
39	HIS								
 		HN	39	HIS	HA	5.5	5991		
 		HN	39	HIS	HB2	3.7	45790		
 		HN	39	HIS	HB3	4.3	22790		
 		HN	39	HIS	HD1	5.5	335.7		
 		HN	40	SER	HN	5.5	1743		
 		HN	58	LEU	HA	5.5	1369		
 		HN	58	LEU	QD1	6.5	5041		
 		HN	59	TRP	HD1	5.5	2209		
 		HA	39	HIS	HB2	4.2	25000		
 		HA	39	HIS	HB3	4.2	26040		
 		HA	39	HIS	HD1	5.5	1835		
 		HA	40	SER	HN	3.5	59760		
 		HA	58	LEU	HA	3.4	53070		
 		HA	58	LEU	QD1	6.5	13670		
 		HA	59	TRP	HN	4.2	15663		
 		HA	59	TRP	HE1	5.5	968		
 		HB2	39	HIS	HD1	5.5	7057		
 		HB2	40	SER	HN	4.3	21870		
 		HB3	39	HIS	HD1	5.1	19420		
 		HB3	40	SER	HN	3.7	45680		
 		HB3	57	VAL	HN	5.5	4646		
 		HB3	59	TRP	HD1	5.5	12100		
 		HD1	40	SER	HN	5.5	1209		
 		HD1	58	LEU	HN	5.5	1828		
 		HD1	58	LEU	HA	5.5	6941		
 		HD1	58	LEU	HB2	5.5	10500		
 		HD1	58	LEU	HB3	5.5	1013		
 		HD1	58	LEU	QD1	6.5	7231		
 		HD1	58	LEU	QD2	6.5	2235		
40	SER								
 		HN	40	SER	HA	4.6	15660		
 		HN	40	SER	HB3	5.4	7257		
 		HN	41	GLY	HN	5.2	8589		
 		HN	56	ASN	HN	5.5	1759.2		
 		HN	57	VAL	HN	4.2	15380		
 		HN	57	VAL	HA	4.7	33340		
 		HN	57	VAL	HB	5.5	3362		
 		HN	57	VAL	QG1	6.5	1211		
 		HN	57	VAL	QG2	6.5	12910		
 		HN	58	LEU	HA	5.5	1425		
 		HN	59	TRP	HN	5.5	540		
 		HN	59	TRP	HD1	5.5	2803		
 		HN	59	TRP	HE1	3.9	43030		
 		HA	41	GLY	HN	3.4	78550		
 		HA	41	GLY	HA2	5.5	824		
 		HA	52	ASN	HD21	5.5	6658		
 		HA	57	VAL	QG2	6.5	6809		
 		HA	59	TRP	HD1	5.5	8075		
 		HA	59	TRP	HE1	5.5	11930		
 		HA	59	TRP	HZ2	5.5	3637		
 		HB2	57	VAL	HN	3.4	55980		
 		HB3	57	VAL	HN	5.5	971		
 		HB3	57	VAL	HB	5.5	13010		
 		HB3	57	VAL	QG2	6.5	2113		
41	GLY								
 		HN	41	GLY	HA1	3.8	41640		
 		HN	41	GLY	HA2	4	32380		
 		HN	48	TYR	CZ	7.5	217.5	*2	
 		HN	52	ASN	HD21	5.5	4048		
 		HN	57	VAL	QG2	6.5	258		
 		HN	59	TRP	HE1	5.5	4751		
 		HA1	43	ALA	HN	5.5	1218		
 		HA1	48	TYR	CG	7.5	2319.5	*2	
 		HA1	48	TYR	CZ	7.5	1314.5	*2	
 		HA2	43	ALA	HN	5.5	315		
 		HA2	48	TYR	CZ	7.5	3037	*2	
 		HA2	52	ASN	HD22	5.5	513		
 		HA2	53	ILE	QG1	6.5	2394.5	*2	
42	GLN								
 		HN	42	GLN	HA	4.3	22300		
 		HN	59	TRP	HE1	5.5	23760		
 		HA	43	ALA	HN	5.5	4380		
 		HA	45	GLY	HN	5.5	2127.6		
43	ALA								
 		HN	43	ALA	HA	3.2	101000		
 		HN	43	ALA	QB	3.6	149900		
 		HN	44	GLU	HN	5.1	9135		
 		HN	45	GLY	HN	5.5	3528		
 		HN	48	TYR	CZ	7.5	1691	*2	
 		HA	43	ALA	QB	3.5	187900		
 		QB	44	GLU	HN	4	80690		
 		QB	44	GLU	HA	4.8	40750		
 		QB	45	GLY	HN	3.6	74280		
 		QB	45	GLY	HA2	6.5	799		
44	GLU								
 		HN	44	GLU	HA	4.9	12090		
 		HN	45	GLY	HN	4.6	16820		
 		HN	45	GLY	HA2	5.5	1258		
 		HA	45	GLY	HN	5.4	7037		
45	GLY								
 		HN	45	GLY	HA1	4.2	26070		
 		HN	45	GLY	HA2	3.4	79600		
 		HN	48	TYR	CG	7.5	1623.5	*2	
 		HN	48	TYR	CZ	7.5	4354	*2	
 		HA2	48	TYR	CG	7.5	9160	*2	
 		HA2	48	TYR	CZ	7.5	20320	*2	
46	TYR								
 		HN	46	TYR	HA	3.7	48310		
 		HN	46	TYR	QB	6	7140	*2	
 		HN	46	TYR	HD1	3.1	255800		
 		HN	48	TYR	CZ	5.4	58300	*2	
 		HN	49	THR	HN	5.5	625		
 		HN	49	THR	QG2	6.5	21740		
 		HA	46	TYR	CG	6.5	5590	*2	
 		QB	46	TYR	HD1	5.7	29830	*2	
 		QB	46	TYR	HD2	6.1	19805	*2	
 		HD1	46	TYR	HE2	4	65310		
 		HD1	49	THR	HN	5.5	9494		
 		HD1	49	THR	QG2	5.1	70280		
 		HD2	49	THR	HN	5.5	1789		
 		HD2	49	THR	QG2	6.3	51180		
 		HE2	49	THR	QG2	6.5	2864		
48	TYR								
 		HB2	48	TYR	CG	7.5	12725	*2	
 		HB2	48	TYR	CZ	7.5	2058	*2	
 		HB2	53	ILE	QG2	3.3	166400		
 		CG	48	TYR	CZ	8.3	47675	*4	
49	THR								
 		HN	49	THR	QG2	4.7	41850		
52	ASN								
 		HN	52	ASN	HA	4.1	29121		
 		HN	52	ASN	HB2	3.9	39020		
 		HN	52	ASN	HB3	3.9	38560		
 		HN	52	ASN	HD21	5.5	2924.1		
 		HN	52	ASN	HD22	5.5	10130		
 		HN	53	ILE	HN	4.6	15438		
 		HN	55	LYS	QG	6.5	22140	*2	
 		HA	52	ASN	HB2	5.5	2093		
 		HA	52	ASN	HD21	5.5	11673		
 		HA	52	ASN	HD22	5.5	6783		
 		HA	53	ILE	HN	5.4	6849		
 		HA	55	LYS	HN	5.5	4844		
 		HA	55	LYS	QB	5.4	22030	*2	
 		HA	55	LYS	QG	6.5	16795	*2	
 		HA	55	LYS	QD	6.5	9805	*2	
 		HA	57	VAL	HN	5.5	2428		
 		HB2	52	ASN	HD21	4.4	38600		
 		HB2	52	ASN	HD22	5.5	10278		
 		HB2	53	ILE	HN	5.3	8058		
 		HB3	52	ASN	HD21	3.7	96170		
 		HB3	52	ASN	HD22	5.5	13362		
 		HB3	53	ILE	HN	4.5	17120		
 		HD21	53	ILE	HA	5.5	11070		
 		HD21	57	VAL	QG2	6.5	5725		
 		HD22	53	ILE	HA	5.5	1113		
 		HD22	57	VAL	QG2	6.5	2224		
53	ILE								
 		HN	53	ILE	HA	3.8	42270		
 		HN	53	ILE	HB	3.2	105930		
 		HN	53	ILE	QG2	4.6	45770		
 		HN	53	ILE	QG1	5.1	54200	*2	
 		HN	53	ILE	QD1	5.5	19260		
 		HN	54	LYS	HN	4.4	21060		
 		HN	55	LYS	HN	4.8	13470		
 		HN	56	ASN	HA	5.5	5313		
 		HA	53	ILE	QG2	5.4	21460		
 		HA	53	ILE	QG1	6.1	1494	*2	
 		HA	53	ILE	QD1	4.8	39350		
 		HA	54	LYS	HN	5.4	7087		
 		HB	53	ILE	QG1	4.5	122800	*2	
 		HB	53	ILE	QD1	3.3	520600		
 		HB	55	LYS	HN	5.5	35.2		
 		QG2	54	LYS	HN	6.5	1382		
 		QG2	54	LYS	HA	6.5	961		
 		QG1	54	LYS	HN	6.5	2763	*2	
 		QG1	54	LYS	HA	6.5	21825	*2	
 		QD1	54	LYS	HN	6.5	17847		
 		QD1	54	LYS	HA	6.5	31150		
54	LYS								
 		HN	54	LYS	HA	3.9	37530		
 		HN	54	LYS	HB2	3	134100		
 		HN	54	LYS	HB3	3.8	39570		
 		HN	54	LYS	HG2	5.5	4987		
 		HN	54	LYS	QG	6	22005	*2	
 		HN	55	LYS	HN	4.3	23880		
 		HN	55	LYS	QB	6.5	1707	*2	
 		HN	56	ASN	HN	5.3	7080		
 		HN	56	ASN	HA	5.5	5898		
 		HA	54	LYS	HB2	3.7	50350		
 		HA	54	LYS	HB3	3.2	94860		
 		HA	54	LYS	QG	5.1	34215	*2	
 		HA	55	LYS	HN	5.5	5460		
 		HB2	55	LYS	HN	4.1	27620		
 		QG	55	LYS	HA	6.5	2979	*2	
55	LYS								
 		HN	55	LYS	HA	4	30780		
 		HN	55	LYS	QB	4.5	35295	*2	
 		HN	55	LYS	QG	6.5	5890	*2	
 		HN	55	LYS	QD	6.5	7835	*2	
 		HN	56	ASN	HN	5.5	3048		
 		HN	57	VAL	QG2	6.5	1608		
 		HA	55	LYS	QB	6.5	3500.5	*2	
 		HA	55	LYS	QG	6.1	1768	*2	
 		QB	57	VAL	HN	6.5	1934.5	*2	
 		QB	57	VAL	HB	4.8	46755	*2	
 		QB	57	VAL	QG2	7.5	5280	*2	
 		QG	75	ILE	QG2	7.5	7445	*2	
56	ASN								
 		HN	56	ASN	HA	4	31980		
 		HA	57	VAL	HN	4.2	25960		
 		HA	57	VAL	HB	4.7	14640		
57	VAL								
 		HN	57	VAL	HA	3.8	43400		
 		HN	57	VAL	HB	3.7	49530		
 		HN	57	VAL	QG1	4.9	33600		
 		HN	57	VAL	QG2	4.5	52540		
 		HN	58	LEU	HN	5.5	4057		
 		HA	57	VAL	HB	3.9	37580		
 		HA	57	VAL	QG1	4.6	47170		
 		HA	57	VAL	QG2	4.4	57420		
 		HB	57	VAL	QG1	3.9	114300		
 		HB	57	VAL	QG2	4.2	80500		
 		HB	59	TRP	HE1	5.5	4311		
 		QG1	58	LEU	HN	6.5	9420		
 		QG1	59	TRP	HA	6.5	5254		
 		QG1	59	TRP	HD1	6.5	535		
 		QG1	59	TRP	HE3	6.5	5117		
 		QG1	59	TRP	HE1	6.5	1447		
 		QG1	59	TRP	HZ3	6.5	1626		
 		QG1	59	TRP	HZ2	6.5	5555		
 		QG1	59	TRP	HH2	6.5	3755		
 		QG2	58	LEU	HN	6.5	3932		
 		QG2	58	LEU	HB2	6.5	2711		
 		QG2	58	LEU	QD2	7.5	1672		
 		QG2	59	TRP	HN	6.5	946		
 		QG2	59	TRP	HA	6.5	3514		
 		QG2	59	TRP	HE3	6.5	8774		
 		QG2	59	TRP	HE1	6.5	1764		
 		QG2	59	TRP	HZ3	6.5	7208		
 		QG2	59	TRP	HZ2	6.5	9734		
 		QG2	75	ILE	QG2	7.5	7642		
58	LEU								
 		HN	58	LEU	HA	3.3	80650		
 		HN	58	LEU	HB2	4.5	18120		
 		HN	58	LEU	HB3	4.5	18000		
 		HN	58	LEU	HG	5.5	5737		
 		HN	58	LEU	QD2	6.5	2035		
 		HN	59	TRP	HN	4.9	11370		
 		HA	58	LEU	HB2	3.4	73660		
 		HA	58	LEU	HB3	4.5	18070		
 		HA	58	LEU	QD2	5.1	27270		
 		HA	59	TRP	HA	5.5	6515		
 		HA	59	TRP	HD1	5.5	1134		
 		HB2	58	LEU	QD1	4.6	48840		
 		HB2	58	LEU	QD2	3.7	148200		
 		HB2	59	TRP	HN	5.5	5547		
 		HB2	75	ILE	QG2	6.5	1910		
 		HB3	58	LEU	QD1	4.7	42360		
 		HB3	59	TRP	HN	5.5	516		
 		HG	58	LEU	QD2	4.2	78160		
 		QD1	59	TRP	HN	6.5	22530		
 		QD1	59	TRP	HA	6.5	1439		
 		QD1	59	TRP	HB3	4.2	96070		
 		QD1	59	TRP	HD1	6.5	1275		
 		QD1	59	TRP	HE3	6.5	19200		
 		QD2	59	TRP	HN	6.5	934		
 		QD2	59	TRP	HE3	6.5	691		
59	TRP								
 		HN	59	TRP	HA	4.6	16440		
 		HN	59	TRP	HB2	4.5	17742		
 		HN	59	TRP	HB3	3.1	118900		
 		HN	59	TRP	HD1	5.5	11340		
 		HN	59	TRP	HE3	5.5	5500		
 		HA	59	TRP	HB2	5	10430		
 		HA	59	TRP	HE3	3.7	95540		
 		HA	59	TRP	HE1	5.5	176.2		
 		HA	60	ASP	HN	5	10650		
 		HB2	59	TRP	HD1	4.4	38730		
 		HB2	59	TRP	HE3	5.5	13560		
 		HB2	59	TRP	HE1	5.5	1245		
 		HB3	59	TRP	HD1	4.9	22460		
 		HB3	59	TRP	HE3	5.5	10670		
 		HD1	59	TRP	HE1	4.3	44810		
 		HE3	59	TRP	HE1	5.5	10840		
 		HE3	59	TRP	HZ3	3.7	92200		
 		HE3	59	TRP	HH2	5.5	3587		
 		HE3	60	ASP	HN	5.5	8168		
 		HE3	68	LEU	HG	5.5	7084		
 		HE1	59	TRP	HZ3	5.5	3614		
 		HE1	59	TRP	HZ2	5	21560		
 		HZ3	59	TRP	HH2	4.2	51790		
 		HZ3	67	TYR	HB2	5.2	26840		
 		HZ3	67	TYR	HB3	5.5	24680		
 		HZ3	68	LEU	HG	5.5	3730		
 		HZ3	75	ILE	QD1	6.5	7707		
 		HZ2	59	TRP	HH2	4	66580		
 		HZ2	75	ILE	HN	5.5	10677		
 		HZ2	75	ILE	HB	3.9	43000		
 		HZ2	75	ILE	QG2	6.5	913		
 		HH2	67	TYR	HB2	5.5	661		
 		HH2	67	TYR	HB3	5.5	2077		
60	ASP								
 		HN	64	MET	HB2	5.5	4471		
 		HN	75	ILE	QG2	6.5	1573		
62	ASN								
 		HN	62	ASN	HA	3.7	47370		
 		HN	62	ASN	HB2	4.8	13060		
 		HN	62	ASN	HB3	3.7	45810		
 		HN	63	ASN	HN	5.5	985.2		
 		HN	63	ASN	HA	5.5	2095		
 		HN	63	ASN	HB3	5.5	968		
 		HN	63	ASN	HD21	5.5	5268		
 		HN	64	MET	HB3	5.5	3962		
 		HN	75	ILE	HG12	5.5	23457		
 		HN	75	ILE	HG13	5.5	10008		
 		HA	63	ASN	HN	5.5	4380		
 		HB2	63	ASN	HN	4.9	11140		
 		HB3	63	ASN	HN	5.5	6756		
63	ASN		-5						
 		HN	63	ASN	HA	3.3	91500		
 		HN	63	ASN	HB2	5.5	711		
 		HN	63	ASN	HB3	4.5	17367		
 		HN	63	ASN	HD21	4.6	30660		
 		HN	63	ASN	HD22	5.5	4983		
 		HN	64	MET	HN	4.8	12903		
 		HN	64	MET	HA	5.5	192.9		
 		HN	64	MET	HB2	5.5	5099		
 		HN	75	ILE	HG12	5.5	2026		
 		HN	75	ILE	QD1	6.5	1039		
 		HA	63	ASN	HB3	3.5	61600		
 		HA	63	ASN	HD21	4.1	60170		
 		HA	63	ASN	HD22	4.9	24370		
 		HA	64	MET	HN	4.4	20037		
 		HA	66	GLU	HB2	5.5	738		
 		HA	67	TYR	HN	5.5	628		
 		HB3	63	ASN	HD21	4.1	57780		
 		HB3	64	MET	HN	5	10270	-	
 		HB3	64	MET	HB2	3.7	48420		
 		HB3	75	ILE	QD1	6.5	6014		
 		HD21	64	MET	HN	5.5	14133		
64	THR								
 		HN	64	MET	HA	4	34290		
 		HN	64	MET	HB2	5.5	3454		
 		HN	64	MET	HB3	3.6	54810		
 		HN	64	MET	QE	6.1	11385		
 		HN	65	SER	HN	4.6	15729		
 		HN	68	LEU	HG	5.5	7221		
 		HN	75	ILE	HG12	5.5	1844.7		
 		HA	64	MET	HB2	5.5	6195		
 		HA	64	MET	HB3	4.3	21940		
 		HA	64	MET	QE	6.1	11280		
 		HA	67	TYR	HN	5.5	2670		
 		HA	68	LEU	HN	5.5	2935		
 		HB2	64	MET	QE	4.9	33700		
 		HB2	65	SER	HN	4.8	12610		
 		HB3	64	MET	QE	5.8	15570		
 		HB3	65	SER	HN	4.7	14322		
 		HB3	65	SER	HA	5.2	8454		
 		HB3	68	LEU	QD1	5	72040		
 		QE	65	SER	HN	6.5	1667.4		
 		QE	95	ILE	QG1	7.5	2275.5	*2	
65	ASN								
 		HN	65	SER	HA	4.2	24426		
 		HN	65	SER	HB2	3.7	46560		
 		HN	65	SER	HB3	3.9	38730		
 		HN	66	GLU	HN	4.5	18470		
 		HA	65	SER	HB2	4.8	12500		
 		HA	66	GLU	HN	5.5	2316		
 		HA	68	LEU	HB2	5.5	1446		
 		HA	68	LEU	QD1	6.5	2766		
 		HA	91	ARG	HB2	5.5	1351		
 		HA	91	ARG	QG	6.5	1093	*2	
 		HB2	66	GLU	HN	4.9	12070		
66	GLU								
 		HN	66	GLU	HA	4.1	28314		
 		HN	66	GLU	HB2	3.4	69480		
 		HN	66	GLU	HB3	4	30930		
 		HN	66	GLU	QG	6.5	6460	*2	
 		HN	67	TYR	HN	4.1	29907		
 		HN	68	LEU	HN	5.5	5403		
 		HA	66	GLU	HB2	4.3	22280		
 		HA	66	GLU	HB3	4.4	20370		
 		HA	66	GLU	QG	6.1	720.5	*2	
 		HA	67	TYR	HN	5.5	2496		
 		HB2	66	GLU	QG	4.4	146750	*2	
 		HB2	67	TYR	HN	4.2	25210		
 		HB3	67	TYR	HN	4.1	28599		
67	TYR								
 		HN	67	TYR	HA	4.1	29990		
 		HN	67	TYR	HB2	3.6	57870		
 		HN	67	TYR	HB3	3.8	45030		
 		HN	68	LEU	HA	5.5	357		
 		HN	68	LEU	HB2	5	10053		
 		HN	68	LEU	HG	5.5	441		
 		HA	67	TYR	HB2	5.5	651		
 		HA	67	TYR	HB3	3.6	55700		
 		HA	68	LEU	HN	5.4	6894		
 		HB3	68	LEU	HN	3.8	40010		
68	LEU								
 		HN	68	LEU	HA	3.4	69750		
 		HN	68	LEU	HB2	3.4	71730		
 		HN	68	LEU	HB3	3.9	37400		
 		HN	68	LEU	HG	4.1	55200		
 		HN	68	LEU	QD1	5.6	17440		
 		HN	69	THR	HN	4.3	21660		
 		HN	91	ARG	QG	6.5	11590	*2	
 		HA	68	LEU	HB2	5.5	349		
 		HA	68	LEU	HB3	5.5	4987		
 		HA	68	LEU	HG	5.5	6548		
 		HA	68	LEU	QD1	3.8	119500		
 		HA	69	THR	HN	4.6	15200		
 		HA	91	ARG	QG	6.5	1372	*2	
 		HB2	68	LEU	HG	2.6	583500		
 		HB2	68	LEU	QD1	4.1	89850		
 		HB2	69	THR	HN	5.5	2655		
 		HB2	91	ARG	QG	6.1	27635	*2	
 		HB3	68	LEU	HG	3.4	138600		
 		HB3	68	LEU	QD1	4.9	34130		
 		HB3	69	THR	HN	5.2	8791		
 		HB3	91	ARG	HN	5.5	2114		
 		HB3	91	ARG	HA	5.5	3121		
 		HG	68	LEU	QD1	3.5	179200		
 		HG	75	ILE	HN	5.4	25380		
 		HG	75	ILE	QD1	6.5	763		
 		QD1	69	THR	HN	6.5	5553		
 		QD1	75	ILE	QD1	7.5	4898		
 		QD1	91	ARG	QG	7.5	29270	*2	
 		QD1	94	LEU	QD2	7.5	27820		
 		QD1	95	ILE	QG1	7.5	2334.5	*2	
 		QD1	95	ILE	QD1	7.5	4116		
69	THR								
 		HN	69	THR	HA	4.2	24294		
 		HN	69	THR	HB	3.7	48030		
 		HN	69	THR	QG2	6.1	11520		
 		HN	70	ASN	HN	3.9	35910		
 		HA	70	ASN	HN	5.5	6135		
70	ASN								
 		HN	70	ASN	HA	3.6	57660		
 		HN	70	ASN	HB2	3.9	37530		
 		HN	70	ASN	HB3	4.7	13953		
71	PRO								
 		HA	71	PRO	HB2	3.8	44480		
 		HA	71	PRO	HB3	3.6	53380		
 		HA	71	PRO	QG	6.1	5155	*2	
 		HA	71	PRO	QD	6.4	13980	*2	
 		HA	73	LYS	HN	5.5	2904		
 		HA	73	LYS	HG2	4.6	33250		
 		HA	85	LEU	HG	5.5	8961		
 		HA	85	LEU	QD1	6.5	7771		
 		HB2	73	LYS	HG2	5.5	1113		
 		HB2	82	PHE	CZ	7.5	1387.5	*2	
 		HB2	82	PHE	HZ	5.5	3505		
 		HB3	72	ALA	HN	5.5	4631		
 		HB3	73	LYS	HN	5.5	1185		
 		HB3	73	LYS	HG2	5.5	9423		
 		HB3	82	PHE	HZ	5.5	1737		
72	ALA								
 		HN	73	LYS	HN	5.4	6900		
 		HN	73	LYS	HA	5.5	645		
 		HN	73	LYS	HG2	5.5	2015		
 		HN	82	PHE	CG	5.1	69950	*2	
 		HN	82	PHE	CZ	7.5	16140	*2	
73	LYS								
 		HB2	73	LYS	QD	5			
 		HB3	73	LYS	QD	5			
 		HN	73	LYS	HA	5.5	5979		
 		HN	73	LYS	HB3	4.1	28850		
 		HN	73	LYS	HG2	5.5	3588		
 		HB2	73	LYS	HG2	5.5	213		
 		HB3	73	LYS	HG2	5.5	898		
 		HB3	82	PHE	QB	6.5	756	*2	
75	ILE								
 		HN	75	ILE	HA	3.5	66750		
 		HN	75	ILE	HB	4.4	19683		
 		HN	75	ILE	QG2	5.9	13900		
 		HN	75	ILE	HG12	4.3	46170		
 		HN	75	ILE	HG13	4.7	29360		
 		HN	75	ILE	QD1	5.6	17280		
 		HA	75	ILE	QG2	3.8	127500		
 		HA	75	ILE	QD1	6.5	8088		
 		HB	75	ILE	QG2	4.4	61260		
 		HB	75	ILE	QD1	5.4	21370		
 		QG2	75	ILE	HG12	3.9	112900		
 		QG2	75	ILE	HG13	4.2	80290		
 		QG2	75	ILE	QD1	4.4	226900		
 		HG12	75	ILE	QD1	3.9	110400		
 		HG13	75	ILE	QD1	4.1	81360		
79	ALA								
 		HN	79	ALA	HA	4.6	16650		
 		HN	79	ALA	QB	3.8	112400		
 		HN	80	MET	HN	5.5	3044		
 		HN	80	MET	HA	5.5	6153		
 		HN	80	MET	HG2	5.5	1822.2		
 		HA	79	ALA	QB	3.8	119600		
 		HA	80	MET	HN	5.5	1114.8		
 		QB	80	MET	HN	5.6	10960		
80	MET								
 		HN	80	MET	HA	5.1	9772		
 		HN	80	MET	HG2	4.6	30870		
 		HN	80	MET	HG3	5.5	6162		
 		HN	80	MET	QE	5.2	25700		
 		HN	81	ALA	HN	3.7	48340		
 		HN	81	ALA	HA	4.6	16170		
 		HN	81	ALA	QB	6.5	550.5		
 		HA	80	MET	QE	5.7	15810		
 		HA	81	ALA	HN	5.5	6549		
 		HG2	80	MET	QE	3.3	271800		
 		HG2	84	GLY	HN	5.2	27249		
 		HG3	80	MET	QE	4.2	75640		
 		QE	81	ALA	HN	6.5	6168		
 		QE	83	GLY	HN	6.5	12940		
 		QE	84	GLY	HN	6.5	12591		
81	ALA								
 		HN	81	ALA	HA	4.6	15230		
 		HN	81	ALA	QB	4.5	39810		
 		HN	83	GLY	HN	5.5	1608.9		
 		HA	81	ALA	QB	4.8	28130		
 		QB	83	GLY	HN	6.5	518.1		
82	PHE								
 		QB	82	PHE	CG	8.5	7117.5	*4	
 		QB	82	PHE	HZ	6.5	1897	*2	
 		CG	82	PHE	CZ	8.1	58600	*4	
 		CG	82	PHE	HZ	6.7	29470	*2	
 		CG	85	LEU	HN	7.5	7740	*2	
 		CZ	82	PHE	HZ	5.6	113950	*2	
 		CZ	85	LEU	HN	7.5	10791	*2	
 		CZ	85	LEU	HB2	7.5	14595	*2	
 		CZ	85	LEU	QD1	8.5	14680	*2	
 		HZ	85	LEU	HB2	5.5	14660		
 		HZ	85	LEU	QD1	6.5	8509		
83	GLY								
 		HN	84	GLY	HN	5.5	3795		
 		HN	84	GLY	HA1	5.5	4770		
 		HN	85	LEU	HB3	5.5	1753.2		
84	GLY								
 		HN	84	GLY	HA1	4.3	21744		
 		HN	85	LEU	HN	3.5	60150		
 		HN	85	LEU	HB3	5.5	1548		
85	LEU								
 		HN	85	LEU	HA	3.5	63300		
 		HN	85	LEU	HB2	4.1	28707		
 		HN	85	LEU	HB3	4.4	20322		
 		HN	85	LEU	HG	4.2	50830		
 		HN	85	LEU	QD1	6	12945		
 		HN	86	LYS	HN	4.1	29946		
 		HB2	85	LEU	QD1	4.3	68590		
 		HB2	86	LYS	HN	3.5	59880		
 		HB2	87	LYS	HN	5.5	1827.9		
 		HG	86	LYS	QE	6.5	10660	*2	
86	LYS								
 		HN	86	LYS	HA	5.5	4158		
 		HN	86	LYS	QG	5.3	46515	*2	
 		HN	86	LYS	HD2	5.4	14808		
 		HN	86	LYS	HD3	5.1	19767		
 		HN	86	LYS	QE	6	20265	*2	
 		HN	87	LYS	HN	3.6	55980		
 		QG	87	LYS	HN	6.5	15615	*2	
 		HD3	86	LYS	QE	5.6	32565	*2	
87	LYS								
 		HN	87	LYS	HA	4.1	28314		
 		HN	87	LYS	HB2	4.3	22653		
 		HN	87	LYS	HB3	4.4	19308		
 		HN	87	LYS	QG	6	21450	*2	
 		HN	87	LYS	QD	4.9	70980	*2	
 		HN	87	LYS	QE	6.5	5959.5	*2	
90	ASP								
 		HN	90	ASP	HA	5.5	2797.8		
 		HN	90	ASP	HB2	4.4	19461		
 		HN	90	ASP	HB3	4.1	29166		
 		HN	91	ARG	HN	4.3	22371		
 		HN	91	ARG	HB3	4.3	21600		
 		HN	91	ARG	QG	6.5	1432.8	*2	
 		HN	92	ASN	HN	5.5	1331.1		
 		HA	90	ASP	HB2	4.9	12250		
 		HA	90	ASP	HB3	5.5	5477		
 		HA	91	ARG	HN	5.5	3317		
 		HA	92	ASN	HN	5.5	498.3		
 		HA	93	ASP	HN	5.5	1847.4		
 		HB2	91	ARG	HN	5.2	8973		
 		HB2	91	ARG	HB2	5.3	26470		
 		HB3	91	ARG	HN	4.7	14784		
91	ARG								
 		HN	91	ARG	HA	4.6	16308		
 		HN	91	ARG	HB2	3.9	38610		
 		HN	91	ARG	HB3	4.5	17064		
 		HN	91	ARG	QG	6.4	14671.5	*2	
 		HN	92	ASN	HN	4.3	22887		
 		HN	92	ASN	QB	6.5	1754.5	*2	
 		HN	93	ASP	HN	5.5	523.2		
 		HN	94	LEU	HB3	5.5	3819		
 		HA	92	ASN	HN	5.5	5044		
 		HA	94	LEU	HN	5.5	3048		
 		HA	94	LEU	HB3	5.5	642		
 		HA	94	LEU	HG	5.5	23990		
 		HA	94	LEU	QD2	6.5	30250		
 		HA	95	ILE	HN	5.2	8120		
 		HA	95	ILE	QD1	6.5	35620		
 		HB2	92	ASN	HN	5.4	7143		
 		HB3	92	ASN	HN	5.1	9912		
 		HB3	94	LEU	HN	5.5	2195		
 		QG	92	ASN	HN	6.5	1091.2	*2	
92	ASN								
 		HN	92	ASN	HA	3.9	35910		
 		HN	92	ASN	QB	4.7	30400	*2	
 		HN	94	LEU	HN	4.2	29930		
 		HA	92	ASN	QB	6.1	841	*2	
 		HA	93	ASP	HN	4.8	13113		
 		HA	95	ILE	HN	5.5	3442		
 		HA	95	ILE	QG1	6.5	4499.5	*2	
 		HA	95	ILE	QD1	6.5	369		
 		HA	96	THR	HN	4.9	12750		
 		QB	93	ASP	HN	6.3	7540.5	*2	
 		QB	93	ASP	HA	6.5	2321.5	*2	
 		QB	95	ILE	QG2	7.5	1159	*2	
93	ASP								
 		HN	93	ASP	HA	4.2	24726		
 		HN	93	ASP	QB	5.3	14394	*2	
 		HN	94	LEU	HN	4	34330		
 		HA	94	LEU	HN	5.5	3630		
 		HA	96	THR	HN	3.8	52510		
 		HA	97	TYR	HN	4.9	11390		
 		QB	94	LEU	HN	5.4	18960	*2	
 		QB	95	ILE	HN	6.5	4981.5	*2	
94	LEU								
 		HN	94	LEU	HA	4.2	24678		
 		HN	94	LEU	HB2	3.6	58380		
 		HN	94	LEU	HB3	3.3	84250		
 		HN	94	LEU	HG	5.5	11496		
 		HN	94	LEU	QD2	6.2	10668		
 		HN	95	ILE	HN	3.8	43530		
 		HA	94	LEU	HG	4.4	41150		
 		HA	95	ILE	HN	5.5	5205		
 		HA	96	THR	HN	5.5	5730		
 		HA	97	TYR	HN	5	10089		
 		HA	97	TYR	HB3	5.5	4344		
 		HA	98	LEU	HN	5.5	1509		
 		HA	98	LEU	HG	5.5	18980		
 		HA	98	LEU	QD1	6.5	640		
 		HB2	94	LEU	QD2	3.3	843400		
 		HB2	95	ILE	HN	4.4	20140		
 		HB3	94	LEU	HG	5	20180		
 		HB3	94	LEU	QD2	4.4	62420		
 		HB3	95	ILE	HN	4.4	20900		
 		HB3	95	ILE	HA	5.5	573		
 		HG	95	ILE	HN	5.5	1209		
 		HG	98	LEU	QD2	6.5	4003		
 		QD2	95	ILE	HN	6.5	12060		
 		QD2	98	LEU	HN	6.5	7014		
 		QD2	98	LEU	HB2	3.3	219100		
95	ILE								
 		HN	95	ILE	HA	3.2	103800		
 		HN	95	ILE	HB	3.2	96030		
 		HN	95	ILE	QG2	6.2	10840		
 		HN	95	ILE	QG1	5.8	25630	*2	
 		HN	95	ILE	QD1	6.4	9191		
 		HN	96	THR	HN	4.8	12465		
 		HN	96	THR	QG2	6.5	2180.1		
 		HN	97	TYR	HN	5.5	4749		
 		HN	98	LEU	HN	4.8	13790		
 		HA	95	ILE	QG1	6.1	7420	*2	
 		HA	95	ILE	QD1	6.5	4350		
 		HA	96	THR	HN	5.4	6905		
 		HA	98	LEU	HN	5.5	476		
 		HA	98	LEU	QD2	6.5	2498		
 		HA	99	LYS	HN	5.2	8011		
 		HB	96	THR	HN	4.4	18990		
 		QG2	95	ILE	QD1	7.5	1375		
 		QG2	98	LEU	HB2	6.5	5709		
 		QG2	98	LEU	QD1	7.5	34680		
 		QG2	99	LYS	QD	7.5	7310	*2	
 		QG1	95	ILE	QD1	4.7	146700	*2	
 		QG1	96	THR	HN	6.5	1041.5	*2	
 		QG1	98	LEU	HB2	4	72750	*2	
 		QD1	96	THR	HN	6.5	3604		
 		QD1	98	LEU	QD1	4.3	192500		
96	THR								
 		HN	96	THR	HA	4.1	27220		
 		HN	96	THR	HB	3.2	95280		
 		HN	96	THR	QG2	5.3	23859		
 		HN	97	TYR	HN	3.4	71880		
 		HN	97	TYR	HA	5.5	4554		
 		HN	99	LYS	HN	5.5	1416.3		
 		HA	96	THR	HB	5.5	957		
 		HA	96	THR	QG2	6	12820		
 		HA	97	TYR	HN	5	10010		
 		HA	99	LYS	HN	5.5	2901		
 		HA	99	LYS	HB2	5.5	1929		
 		HB	97	TYR	HN	4.5	18460		
 		QG2	97	TYR	HN	6.5	9007		
97	TYR								
 		HN	97	TYR	HA	3.7	47250		
 		HN	97	TYR	HB2	3.9	36570		
 		HN	97	TYR	HB3	3.9	36150		
 		HN	98	LEU	HN	4.4	21234		
 		HN	98	LEU	HA	5.5	1289		
 		HN	98	LEU	HB2	5.5	841		
 		HN	99	LYS	QB	6.5	3510	*2	
 		HA	97	TYR	HB2	5.5	1556		
 		HA	97	TYR	HB3	5.1	9590		
 		HA	98	LEU	HN	5.4	6942		
 		HA	100	LYS	QB	4.8	59300	*2	
 		HB2	98	LEU	HN	4.2	25910		
 		HB3	98	LEU	HN	4.5	18320		
 		HB3	98	LEU	HB2	5.5	1914		
 		HB3	98	LEU	HB3	5.5	12940		
 		HB3	98	LEU	QD2	6.5	1864		
98	LEU								
 		HN	98	LEU	HA	4.1	28060		
 		HN	98	LEU	HB2	3.9	38520		
 		HN	98	LEU	HB3	4.1	27430		
 		HN	98	LEU	QB	4.5	34890	*2	
 		HN	98	LEU	HG	4.9	22910		
 		HN	98	LEU	QD1	5.7	15774		
 		HN	98	LEU	QD2	6.5	1707		
 		HN	99	LYS	HN	4.7	14742		
 		HN	99	LYS	QB	6.5	416	*2	
 		HN	99	LYS	QD	6.5	605.5	*2	
 		HA	98	LEU	HB2	5.5	4083		
 		HA	98	LEU	HB3	5.5	2942		
 		HA	98	LEU	HG	4.7	27640		
 		HA	98	LEU	QD1	5	32300		
 		HA	98	LEU	QD2	6.5	947		
 		HA	99	LYS	HN	5.5	4737		
 		HA	99	LYS	QD	6.5	13025	*2	
 		HA	100	LYS	HN	5.5	2348		
 		HA	101	ALA	HN	5	10860		
 		HA	101	ALA	QB	4	43450		
 		HA	102	THR	HN	5.5	5383		
 		HB2	98	LEU	QD1	4.2	74200		
 		HB2	98	LEU	QD2	6.5	839		
 		HB2	99	LYS	HN	5.5	6463		
 		HB2	99	LYS	HA	5.5	2496		
 		HB2	99	LYS	QD	4.6	52350	*2	
 		HB2	102	THR	HN	5.5	3189		
 		HB3	98	LEU	QD1	4.2	74970		
 		HB3	98	LEU	QD2	6.5	2231		
 		HB3	99	LYS	QD	5	41995	*2	
 		HB3	102	THR	HN	5.5	4553		
 		QB	99	LYS	HN	6.5	6507	*2	
 		HG	98	LEU	QD1	3.8	134000		
 		HG	99	LYS	HN	5.5	15310		
 		QD1	99	LYS	HN	6.5	8919		
99	LYS								
 		HN	99	LYS	HA	4.2	26211		
 		HN	99	LYS	QB	5.2	16915	*2	
 		HN	99	LYS	QG	6.5	9430	*2	
 		HN	99	LYS	QD	6.4	14155.5	*2	
 		HN	100	LYS	HN	4.1	28374		
 		HN	100	LYS	QB	6.5	764.5	*2	
 		HN	100	LYS	QG	6.2	26950	*2	
 		HN	101	ALA	HN	5.5	5712		
 		HA	99	LYS	QB	5.8	12640	*2	
 		HA	99	LYS	QG	6.1	6785	*2	
 		HA	100	LYS	HN	5.1	9161		
 		HA	103	GLU	HN	4.7	15250		
 		HA	103	GLU	HB3	5.5	564		
 		HB2	100	LYS	HN	4.4	21075		
 		QB	100	LYS	HN	5.8	12620	*2	
 		QG	100	LYS	HN	6.5	5022	*2	
 		QD	100	LYS	HN	6.5	3328	*2	
 		QD	103	GLU	HN	6.5	3370.5	*2	
 		QD	103	GLU	HB3	3.4	123450	*2	
100	LYS								
 		HN	100	LYS	HA	3.8	41490		
 		HN	100	LYS	QB	4.4	40885	*2	
 		HN	100	LYS	QG	6	20385	*2	
 		HN	101	ALA	HN	3.7	48620		
 		HN	101	ALA	QB	6.5	2589		
 		HN	102	THR	HN	5.5	1362		
 		HA	100	LYS	QB	4.4	79550	*2	
 		HA	101	ALA	HN	5.4	6813		
 		HA	103	GLU	HN	5.5	3192		
 		HA	103	GLU	HB3	5.1	9421		
 		QB	101	ALA	HN	5.2	25995	*2	
 		QG	101	ALA	HN	6.5	3352	*2	
 		QG	101	ALA	HA	6.5	11475	*2	
101	ALA								
 		HN	101	ALA	HA	4.1	27990		
 		HN	101	ALA	QB	3.9	95000		
 		HN	102	THR	HN	4.5	17376		
 		HA	101	ALA	QB	3.4	223000		
 		HA	102	THR	HN	5.1	9737		
 		HA	103	GLU	HN	5.5	4557		
 		QB	102	THR	HN	5.6	11040		
102	THR								
 		HN	102	THR	HA	5	10030		
 		HN	102	THR	QG2	5	33040		
 		HN	103	GLU	HN	4.2	25780		
 		HN	103	GLU	HB3	5.5	45.6		
 		HA	102	THR	QG2	4.5	54520		
 		HA	103	GLU	HN	4.5	17829		
 		HA	103	GLU	HB3	5.5	651		
103	GLU								
 		HN	103	GLU	HA	3.1	113100		
 		HN	103	GLU	HB2	3.8	43890		
 		HN	103	GLU	HB3	2.8	203850		
 		HN	103	GLU	QG	6.5	7490	*2	
 		HA	103	GLU	HB2	5.5	143		
 		HA	103	GLU	HB3	5.5	312		

  Entry H atom name         Submitted Coord H atom name
    1    H    LEU   9           H        LEU   9   1.007  -6.734  12.307
    2    HA   LEU   9           HA       LEU   9   3.636  -5.788  11.508
    3   1HB   LEU   9          HB2       LEU   9   1.163  -6.927  10.121
    4   2HB   LEU   9          HB3       LEU   9   2.672  -6.535   9.289
    5    HG   LEU   9           HG       LEU   9   3.490  -7.941  11.677
    6   1HD1  LEU   9          1HD1      LEU   9   1.420  -8.973  12.184
    7   2HD1  LEU   9          2HD1      LEU   9   0.979  -9.146  10.471
    8   3HD1  LEU   9          3HD1      LEU   9   2.260 -10.158  11.174
    9   1HD2  LEU   9          1HD2      LEU   9   3.176  -8.927   8.908
   10   2HD2  LEU   9          2HD2      LEU   9   4.437  -7.816   9.503
   11   3HD2  LEU   9          3HD2      LEU   9   4.364  -9.477  10.134
   12    H    PHE  10           H        PHE  10   0.698  -5.008   9.801
   13    HA   PHE  10           HA       PHE  10   1.432  -2.636   8.708
   14   1HB   PHE  10          HB2       PHE  10  -0.539  -4.006   8.212
   15   2HB   PHE  10          HB3       PHE  10  -1.294  -3.517   9.722
   16    HD1  PHE  10           HD1      PHE  10   0.304  -2.016   6.604
   17    HD2  PHE  10           HD2      PHE  10  -2.733  -1.766   9.695
   18    HE1  PHE  10           HE1      PHE  10  -0.744  -0.043   5.473
   19    HE2  PHE  10           HE2      PHE  10  -3.604   0.347   8.660
   20    HZ   PHE  10           HZ       PHE  10  -2.705   1.084   6.484
   21    H    LYS  11           H        LYS  11  -0.209  -2.937  11.845
   22    HA   LYS  11           HA       LYS  11  -0.301  -0.625  13.234
   23   1HB   LYS  11          HB2       LYS  11   1.045  -3.122  14.091
   24   2HB   LYS  11          HB3       LYS  11   0.710  -1.728  15.137
   25   1HG   LYS  11          HG2       LYS  11  -1.522  -3.191  13.692
   26   2HG   LYS  11          HG3       LYS  11  -0.895  -3.622  15.299
   27   1HD   LYS  11          HD2       LYS  11  -1.398  -1.367  16.149
   28   2HD   LYS  11          HD3       LYS  11  -2.154  -0.948  14.595
   29   1HE   LYS  11          HE2       LYS  11  -3.800  -2.759  14.893
   30   2HE   LYS  11          HE3       LYS  11  -2.996  -3.274  16.389
   31   2HZ   LYS  11          HZ2       LYS  11  -4.351  -0.731  15.928
   32   3HZ   LYS  11          HZ3       LYS  11  -4.842  -1.970  16.901
   33    H    THR  12           H        THR  12   2.822  -1.967  12.346
   34    HA   THR  12           HA       THR  12   4.037   0.634  13.240
   35    HB   THR  12           HB       THR  12   6.016  -0.540  14.040
   36    HG1  THR  12           HG1      THR  12   4.329  -2.795  13.713
   37   1HG2  THR  12          1HG2      THR  12   3.431  -1.413  15.428
   38   2HG2  THR  12          2HG2      THR  12   4.198   0.175  15.592
   39   3HG2  THR  12          3HG2      THR  12   5.040  -1.279  16.161
   40    H    ARG  13           H        ARG  13   4.256  -2.133  11.016
   41    HA   ARG  13           HA       ARG  13   6.461  -1.344   9.437
   42   1HB   ARG  13          HB2       ARG  13   3.885  -2.879   8.990
   43   2HB   ARG  13          HB3       ARG  13   4.601  -2.187   7.563
   44   1HG   ARG  13          HG2       ARG  13   5.464  -4.329   7.650
   45   2HG   ARG  13          HG3       ARG  13   6.760  -3.212   8.064
   46   1HD   ARG  13          HD2       ARG  13   5.764  -3.755  10.555
   47   2HD   ARG  13          HD3       ARG  13   5.339  -5.254   9.745
   48    HE   ARG  13           HE       ARG  13   7.728  -5.412   8.963
   49   1HH1  ARG  13          2HH2      ARG  13   7.035  -3.600  11.984
   50   2HH1  ARG  13          1HH2      ARG  13   8.656  -3.766  12.571
   51   1HH2  ARG  13          2HH1      ARG  13   9.760  -5.674   9.864
   52   2HH2  ARG  13          1HH1      ARG  13  10.220  -4.913  11.370
   53    H    CYS  14           HN       CYS  14   3.016  -0.562   8.946
   54    HA   CYS  14           HA       CYS  14   3.723   1.820   7.322
   55   1HB   CYS  14          HB2       CYS  14   2.467  -0.740   6.258
   56   2HB   CYS  14          HB3       CYS  14   2.556   0.809   5.399
   57    H    LEU  15           H        LEU  15   2.644   1.957   9.802
   58    HA   LEU  15           HA       LEU  15  -0.201   2.544   9.502
   59   1HB   LEU  15          HB2       LEU  15   0.581   1.164  11.318
   60   2HB   LEU  15          HB3       LEU  15   1.851   2.299  11.757
   61    HG   LEU  15           HG       LEU  15  -0.038   2.152  13.325
   62   1HD1  LEU  15          1HD1      LEU  15  -0.149   4.397  13.849
   63   2HD1  LEU  15          2HD1      LEU  15   1.396   4.164  12.974
   64   3HD1  LEU  15          3HD1      LEU  15   0.007   4.932  12.172
   65   1HD2  LEU  15          1HD2      LEU  15  -1.741   1.599  11.753
   66   2HD2  LEU  15          2HD2      LEU  15  -2.237   2.983  12.757
   67   3HD2  LEU  15          3HD2      LEU  15  -1.717   3.250  11.069
   68    H    GLN  16           H        GLN  16   3.015   4.020   9.985
   69    HA   GLN  16           HA       GLN  16   2.461   6.461  11.092
   70   1HB   GLN  16          HB2       GLN  16   4.397   6.137   8.756
   71   2HB   GLN  16          HB3       GLN  16   4.431   7.352  10.023
   72   1HG   GLN  16          HG2       GLN  16   5.949   6.021  10.996
   73   2HG   GLN  16          HG3       GLN  16   4.591   5.018  11.520
   74   1HE2  GLN  16          1HE2      GLN  16   4.580   2.837  10.678
   75   2HE2  GLN  16          2HE2      GLN  16   5.554   2.361   9.307
   76    H    CYS  17           HN       CYS  17   2.548   5.840   7.586
   77    HA   CYS  17           HA       CYS  17   1.216   8.360   7.000
   78   1HB   CYS  17          HB2       CYS  17   2.219   6.091   5.353
   79   2HB   CYS  17          HB3       CYS  17   1.228   7.364   4.658
   80    H    HIS  18           HN       HIS  18   0.655   4.977   6.062
   81    HA   HIS  18           HA       HIS  18  -1.865   5.260   5.003
   82   1HB   HIS  18          HB2       HIS  18  -0.396   2.939   6.120
   83   2HB   HIS  18          HB3       HIS  18  -2.012   2.759   5.415
   84    HD1  HIS  18           HD1      HIS  18  -2.320   3.986   2.936
   85    HD2  HIS  18           HD2      HIS  18   1.536   2.974   4.330
   86    HE1  HIS  18           HE1      HIS  18  -0.795   4.130   0.963
   87    H    THR  19           H        THR  19  -3.825   4.383   5.415
   88    HA   THR  19           HA       THR  19  -3.995   3.247   7.980
   89    HB   THR  19           HB       THR  19  -4.974   5.272   8.725
   90    HG1  THR  19           HG1      THR  19  -7.459   4.536   8.436
   91   1HG2  THR  19          1HG2      THR  19  -6.957   6.377   7.575
   92   2HG2  THR  19          2HG2      THR  19  -5.369   6.571   6.821
   93   3HG2  THR  19          3HG2      THR  19  -6.522   5.442   6.137
   94    H    VAL  20           H        VAL  20  -6.587   2.417   8.032
   95    HA   VAL  20           HA       VAL  20  -6.807   0.613   5.661
   96    HB   VAL  20           HB       VAL  20  -5.381  -0.456   7.310
   97   1HG1  VAL  20          1HG1      VAL  20  -6.295   0.568   9.400
   98   2HG1  VAL  20          2HG1      VAL  20  -6.174  -1.193   9.484
   99   3HG1  VAL  20          3HG1      VAL  20  -7.753  -0.433   9.224
  100   1HG2  VAL  20          1HG2      VAL  20  -8.065  -1.849   7.097
  101   2HG2  VAL  20          2HG2      VAL  20  -6.798  -1.806   5.849
  102   3HG2  VAL  20          3HG2      VAL  20  -6.479  -2.594   7.404
  103    H    GLU  21           H        GLU  21  -8.269   2.039   8.544
  104    HA   GLU  21           HA       GLU  21 -10.957   1.854   7.286
  105   1HB   GLU  21          HB2       GLU  21 -10.352   0.271   9.302
  106   2HB   GLU  21          HB3       GLU  21 -10.434   1.725  10.282
  107   1HG   GLU  21          HG2       GLU  21 -12.856   2.000   9.476
  108   2HG   GLU  21          HG3       GLU  21 -12.650   0.491   8.574
  109    H    LYS  22           H        LYS  22 -12.361   3.482   8.302
  110    HA   LYS  22           HA       LYS  22 -13.089   5.200   9.477
  111   1HB   LYS  22          HB2       LYS  22 -10.955   3.837  10.965
  112   2HB   LYS  22          HB3       LYS  22 -11.225   5.467  11.567
  113   1HG   LYS  22          HG2       LYS  22 -13.547   5.120  11.900
  114   2HG   LYS  22          HG3       LYS  22 -13.531   3.587  10.998
  115   1HD   LYS  22          HD2       LYS  22 -12.062   2.574  12.660
  116   2HD   LYS  22          HD3       LYS  22 -12.030   4.073  13.605
  117   1HE   LYS  22          HE2       LYS  22 -14.101   3.695  14.491
  118   2HE   LYS  22          HE3       LYS  22 -14.789   3.219  12.930
  119   2HZ   LYS  22          HZ2       LYS  22 -13.082   1.465  14.473
  120   3HZ   LYS  22          HZ3       LYS  22 -13.869   1.171  13.068
  121    H    GLY  23           H        GLY  23 -13.395   7.173   9.003
  122   1HA   GLY  23          HA3       GLY  23 -13.146   9.432   9.170
  123   2HA   GLY  23          HA2       GLY  23 -11.640   9.154  10.038
  124    H    GLY  24           H        GLY  24  -9.899   8.151   8.410
  125   1HA   GLY  24          HA3       GLY  24  -8.186   9.014   7.169
  126   2HA   GLY  24          HA2       GLY  24  -9.363   9.011   5.847
  127    HA   PRO  25           HA       PRO  25 -10.413  13.245   7.619
  128   1HB   PRO  25          HB2       PRO  25  -8.843  14.319   9.721
  129   2HB   PRO  25          HB3       PRO  25 -10.440  13.550   9.878
  130   1HG   PRO  25          HG2       PRO  25  -7.716  12.346  10.383
  131   2HG   PRO  25          HG3       PRO  25  -9.242  12.069  11.246
  132   1HD   PRO  25          HD2       PRO  25  -8.268  10.292   9.420
  133   2HD   PRO  25          HD3       PRO  25 -10.003  10.626   9.663
  134    H    HIS  26           H        HIS  26  -7.018  12.442   7.716
  135    HA   HIS  26           HA       HIS  26  -6.290  15.297   7.365
  136   1HB   HIS  26          HB2       HIS  26  -6.070  13.345   9.462
  137   2HB   HIS  26          HB3       HIS  26  -4.458  13.597   8.918
  138    HD1  HIS  26           HD1      HIS  26  -6.389  14.647  11.574
  139    HD2  HIS  26           HD2      HIS  26  -4.342  16.772   8.571
  140    HE1  HIS  26           HE1      HIS  26  -5.977  16.996  12.481
  141    H    LYS  27           H        LYS  27  -3.902  15.465   7.211
  142    HA   LYS  27           HA       LYS  27  -1.940  15.199   5.837
  143   1HB   LYS  27          HB2       LYS  27  -2.482  13.363   8.164
  144   2HB   LYS  27          HB3       LYS  27  -0.956  13.252   7.310
  145   1HG   LYS  27          HG2       LYS  27  -0.350  15.471   7.816
  146   2HG   LYS  27          HG3       LYS  27  -1.925  15.778   8.601
  147   1HD   LYS  27          HD2       LYS  27  -1.467  14.015  10.271
  148   2HD   LYS  27          HD3       LYS  27   0.022  13.556   9.429
  149   1HE   LYS  27          HE2       LYS  27   0.611  14.916  11.342
  150   2HE   LYS  27          HE3       LYS  27   0.951  15.827   9.857
  151   2HZ   LYS  27          HZ2       LYS  27  -1.319  16.135  11.669
  152   3HZ   LYS  27          HZ3       LYS  27  -0.117  17.217  11.359
  153    H    VAL  28           H        VAL  28  -2.870  11.784   6.401
  154    HA   VAL  28           HA       VAL  28  -0.237  11.823   5.231
  155    HB   VAL  28           HB       VAL  28  -0.360   9.563   6.751
  156   1HG1  VAL  28          1HG1      VAL  28   1.481  10.656   6.957
  157   2HG1  VAL  28          2HG1      VAL  28   0.771  12.202   7.318
  158   3HG1  VAL  28          3HG1      VAL  28   0.720  10.909   8.530
  159   1HG2  VAL  28          1HG2      VAL  28  -2.299  11.274   8.207
  160   2HG2  VAL  28          2HG2      VAL  28  -1.368   9.929   8.839
  161   3HG2  VAL  28          3HG2      VAL  28  -2.523   9.655   7.538
  162    H    GLY  29           H        GLY  29  -0.940   8.528   5.470
  163   1HA   GLY  29          HA3       GLY  29  -1.091   8.216   2.516
  164   2HA   GLY  29          HA2       GLY  29  -0.694   6.965   3.695
  165    HA   PRO  30           HA       PRO  30  -5.220   7.387   4.157
  166   1HB   PRO  30          HB2       PRO  30  -6.760   7.603   1.855
  167   2HB   PRO  30          HB3       PRO  30  -6.067   9.085   2.583
  168   1HG   PRO  30          HG2       PRO  30  -4.913   7.421   0.329
  169   2HG   PRO  30          HG3       PRO  30  -5.140   9.195   0.354
  170   1HD   PRO  30          HD2       PRO  30  -2.753   7.972   0.956
  171   2HD   PRO  30          HD3       PRO  30  -3.261   9.501   1.740
  172    H    ASN  31           H        ASN  31  -6.846   5.873   3.720
  173    HA   ASN  31           HA       ASN  31  -5.179   3.603   3.996
  174   1HB   ASN  31          HB2       ASN  31  -7.680   2.437   4.261
  175   2HB   ASN  31          HB3       ASN  31  -7.279   3.630   5.469
  176   1HD2  ASN  31          1HD2      ASN  31  -8.618   5.416   5.744
  177   2HD2  ASN  31          2HD2      ASN  31  -9.876   5.801   4.584
  178    H    LEU  32           H        LEU  32  -5.166   1.706   3.052
  179    HA   LEU  32           HA       LEU  32  -5.636   1.812   0.145
  180   1HB   LEU  32          HB2       LEU  32  -4.563  -0.513   1.774
  181   2HB   LEU  32          HB3       LEU  32  -4.371  -0.190   0.036
  182    HG   LEU  32           HG       LEU  32  -3.250   1.489   2.343
  183   1HD1  LEU  32          1HD1      LEU  32  -2.056  -0.679   1.700
  184   2HD1  LEU  32          2HD1      LEU  32  -1.608   0.186   0.203
  185   3HD1  LEU  32          3HD1      LEU  32  -1.120   0.825   1.774
  186   1HD2  LEU  32          1HD2      LEU  32  -3.527   2.047  -0.621
  187   2HD2  LEU  32          2HD2      LEU  32  -3.655   3.160   0.761
  188   3HD2  LEU  32          3HD2      LEU  32  -2.078   2.580   0.200
  189    H    HIS  33           H        HIS  33  -7.220   0.060   2.774
  190    HA   HIS  33           HA       HIS  33  -9.149  -1.091   2.891
  191   1HB   HIS  33          HB2       HIS  33 -10.307   0.828   2.500
  192   2HB   HIS  33          HB3       HIS  33  -9.714   1.025   0.856
  193    HD1  HIS  33           HD1      HIS  33 -12.208  -1.365   2.656
  194    HD2  HIS  33           HD2      HIS  33 -11.088   0.091  -1.113
  195    HE1  HIS  33           HE1      HIS  33 -13.799  -2.416   0.968
  196    H    GLY  34           H        GLY  34  -7.513  -1.612  -0.157
  197   1HA   GLY  34          HA3       GLY  34  -8.209  -4.360  -0.328
  198   2HA   GLY  34          HA2       GLY  34  -9.409  -3.409  -1.238
  199    H    ILE  35           H        ILE  35  -6.434  -4.928  -1.397
  200    HA   ILE  35           HA       ILE  35  -5.468  -3.344  -3.726
  201    HB   ILE  35           HB       ILE  35  -4.288  -4.678  -1.283
  202   1HG1  ILE  35          2HG1      ILE  35  -3.117  -2.268  -2.714
  203   2HG1  ILE  35          3HG1      ILE  35  -4.672  -2.048  -1.949
  204   1HG2  ILE  35          1HG2      ILE  35  -1.911  -4.323  -2.333
  205   2HG2  ILE  35          2HG2      ILE  35  -2.798  -5.781  -2.726
  206   3HG2  ILE  35          3HG2      ILE  35  -2.720  -4.410  -3.892
  207   1HD1  ILE  35          1HD1      ILE  35  -3.795  -2.674   0.228
  208   2HD1  ILE  35          2HD1      ILE  35  -2.267  -3.256  -0.447
  209   3HD1  ILE  35          3HD1      ILE  35  -2.653  -1.543  -0.510
  210    H    PHE  36           H        PHE  36  -7.497  -5.182  -4.017
  211    HA   PHE  36           HA       PHE  36  -6.232  -7.399  -5.602
  212   1HB   PHE  36          HB2       PHE  36  -8.717  -7.868  -3.968
  213   2HB   PHE  36          HB3       PHE  36  -7.511  -9.005  -4.546
  214    HD1  PHE  36           HD1      PHE  36  -8.698  -7.146  -1.748
  215    HD2  PHE  36           HD2      PHE  36  -5.062  -8.627  -3.521
  216    HE1  PHE  36           HE1      PHE  36  -7.553  -6.910   0.427
  217    HE2  PHE  36           HE2      PHE  36  -3.888  -8.329  -1.363
  218    HZ   PHE  36           HZ       PHE  36  -5.142  -7.587   0.634
  219    H    GLY  37           H        GLY  37  -6.588  -6.058  -7.375
  220   1HA   GLY  37          HA3       GLY  37  -7.852  -5.535  -9.333
  221   2HA   GLY  37          HA2       GLY  37  -9.362  -5.914  -8.484
  222    H    ARG  38           H        ARG  38  -6.603  -3.930  -7.402
  223    HA   ARG  38           HA       ARG  38  -8.346  -1.511  -7.503
  224   1HB   ARG  38          HB2       ARG  38  -7.134  -2.204  -5.325
  225   2HB   ARG  38          HB3       ARG  38  -5.644  -1.691  -6.077
  226   1HG   ARG  38          HG2       ARG  38  -6.600   0.017  -4.615
  227   2HG   ARG  38          HG3       ARG  38  -6.482   0.614  -6.277
  228   1HD   ARG  38          HD3       ARG  38  -8.771   0.637  -6.584
  229   2HD   ARG  38          HD2       ARG  38  -9.008  -0.811  -5.598
  230    HE   ARG  38           HE       ARG  38  -8.499   1.905  -4.412
  231   1HH1  ARG  38          2HH2      ARG  38 -10.287  -1.107  -4.135
  232   2HH1  ARG  38          1HH2      ARG  38 -11.707  -0.346  -3.474
  233   1HH2  ARG  38          2HH1      ARG  38 -10.159   2.832  -3.497
  234   2HH2  ARG  38          1HH1      ARG  38 -11.635   1.969  -3.044
  235    H    HIS  39           H        HIS  39  -7.469   0.423  -8.454
  236    HA   HIS  39           HA       HIS  39  -5.172  -0.042 -10.303
  237   1HB   HIS  39          HB2       HIS  39  -7.638   1.638 -10.959
  238   2HB   HIS  39          HB3       HIS  39  -6.275   1.260 -12.019
  239    HD1  HIS  39           HD1      HIS  39  -6.088  -1.670 -12.322
  240    HD2  HIS  39           HD2      HIS  39  -9.739   0.155 -11.313
  241    HE1  HIS  39           HE1      HIS  39  -7.921  -3.382 -12.807
  242    H    SER  40           H        SER  40  -3.606   1.073  -9.609
  243    HA   SER  40           HA       SER  40  -2.387   2.484  -8.388
  244   1HB   SER  40          HB2       SER  40  -3.113   5.027  -8.804
  245   2HB   SER  40          HB3       SER  40  -2.620   4.003 -10.147
  246    HG   SER  40           HG       SER  40  -5.342   4.165  -9.474
  247    H    GLY  41           H        GLY  41  -2.424   4.514  -6.958
  248   1HA   GLY  41          HA3       GLY  41  -3.665   4.046  -4.414
  249   2HA   GLY  41          HA2       GLY  41  -2.938   5.537  -5.060
  250    H    GLN  42           H        GLN  42  -5.812   3.550  -5.146
  251    HA   GLN  42           HA       GLN  42  -7.253   6.115  -5.559
  252   1HB   GLN  42          HB2       GLN  42  -7.264   4.562  -7.565
  253   2HB   GLN  42          HB3       GLN  42  -8.394   3.553  -6.640
  254   1HG   GLN  42          HG2       GLN  42  -9.365   6.196  -6.273
  255   2HG   GLN  42          HG3       GLN  42  -8.727   6.245  -7.913
  256   1HE2  GLN  42          1HE2      GLN  42 -11.405   6.709  -7.258
  257   2HE2  GLN  42          2HE2      GLN  42 -12.355   5.370  -7.892
  258    H    ALA  43           H        ALA  43  -8.120   6.684  -3.853
  259    HA   ALA  43           HA       ALA  43 -10.372   5.146  -2.713
  260   1HB   ALA  43          HB1       ALA  43  -9.600   5.627  -0.321
  261   2HB   ALA  43          HB2       ALA  43  -8.654   4.388  -1.161
  262   3HB   ALA  43          HB3       ALA  43  -8.019   6.043  -0.991
  263    H    GLU  44           H        GLU  44 -11.283   6.671  -0.833
  264    HA   GLU  44           HA       GLU  44 -11.737   9.290  -1.731
  265   1HB   GLU  44          HB2       GLU  44 -12.902   7.643   0.129
  266   2HB   GLU  44          HB3       GLU  44 -12.031   8.751   1.197
  267   1HG   GLU  44          HG2       GLU  44 -13.171  10.672   0.083
  268   2HG   GLU  44          HG3       GLU  44 -13.990   9.542  -1.015
  269    H    GLY  45           H        GLY  45  -8.774   8.339  -0.994
  270   1HA   GLY  45          HA3       GLY  45  -7.629  10.696   0.237
  271   2HA   GLY  45          HA2       GLY  45  -6.914   9.638  -1.002
  272    H    TYR  46           H        TYR  46  -6.528  12.410  -1.337
  273    HA   TYR  46           HA       TYR  46  -8.386  13.105  -3.561
  274   1HB   TYR  46          HB2       TYR  46  -8.590  15.171  -2.784
  275   2HB   TYR  46          HB3       TYR  46  -8.112  14.546  -1.228
  276    HD1  TYR  46           HD1      TYR  46  -5.395  14.471  -0.862
  277    HD2  TYR  46           HD2      TYR  46  -7.400  16.926  -3.762
  278    HE1  TYR  46           HE1      TYR  46  -3.432  15.946  -0.969
  279    HE2  TYR  46           HE2      TYR  46  -5.482  18.488  -3.756
  280    HH   TYR  46           HH       TYR  46  -3.152  18.288  -3.541
  281    H    SER  47           H        SER  47  -5.564  11.685  -2.745
  282    HA   SER  47           HA       SER  47  -3.959  14.047  -3.004
  283   1HB   SER  47          HB2       SER  47  -4.292  12.314  -1.011
  284   2HB   SER  47          HB3       SER  47  -3.012  11.411  -1.835
  285    HG   SER  47           HG       SER  47  -1.761  13.386  -1.713
  286    H    TYR  48           H        TYR  48  -4.228  11.146  -4.633
  287    HA   TYR  48           HA       TYR  48  -1.821  10.869  -6.081
  288   1HB   TYR  48          HB2       TYR  48  -4.567  10.239  -7.158
  289   2HB   TYR  48          HB3       TYR  48  -3.080   9.303  -7.303
  290    HD1  TYR  48           HD1      TYR  48  -6.177   9.774  -5.489
  291    HD2  TYR  48           HD2      TYR  48  -2.166   8.238  -5.067
  292    HE1  TYR  48           HE1      TYR  48  -6.860   8.537  -3.449
  293    HE2  TYR  48           HE2      TYR  48  -2.874   6.967  -3.069
  294    HH   TYR  48           HH       TYR  48  -4.644   6.270  -1.828
  295    H    THR  49           H        THR  49  -3.585  13.559  -5.976
  296    HA   THR  49           HA       THR  49  -4.210  14.788  -8.249
  297    HB   THR  49           HB       THR  49  -3.265  16.894  -7.140
  298    HG1  THR  49           HG1      THR  49  -2.481  15.031  -5.113
  299   1HG2  THR  49          1HG2      THR  49  -4.652  15.540  -4.955
  300   2HG2  THR  49          2HG2      THR  49  -4.952  17.086  -5.737
  301   3HG2  THR  49          3HG2      THR  49  -5.528  15.609  -6.518
  302    H    ASP  50           H        ASP  50  -1.421  13.265  -8.800
  303    HA   ASP  50           HA       ASP  50  -0.856  14.619 -11.080
  304   1HB   ASP  50          HB2       ASP  50   0.252  16.205  -8.924
  305   2HB   ASP  50          HB3       ASP  50   1.599  15.540  -9.789
  306    H    ALA  51           H        ALA  51  -0.912  11.917 -10.456
  307    HA   ALA  51           HA       ALA  51   1.104  11.101 -12.200
  308   1HB   ALA  51          HB1       ALA  51   2.931  11.348 -10.683
  309   2HB   ALA  51          HB2       ALA  51   1.994  10.716  -9.318
  310   3HB   ALA  51          HB3       ALA  51   2.573   9.651 -10.620
  311    H    ASN  52           H        ASN  52   0.813   9.081  -9.455
  312    HA   ASN  52           HA       ASN  52   0.562   6.725 -10.534
  313   1HB   ASN  52          HB2       ASN  52   1.042   7.192  -8.248
  314   2HB   ASN  52          HB3       ASN  52  -0.543   7.931  -7.987
  315   1HD2  ASN  52          1HD2      ASN  52   0.249   4.721  -9.513
  316   2HD2  ASN  52          2HD2      ASN  52  -0.540   3.863  -8.201
  317    H    ILE  53           H        ILE  53  -2.407   8.569  -9.672
  318    HA   ILE  53           HA       ILE  53  -4.267   6.638 -10.549
  319    HB   ILE  53           HB       ILE  53  -4.659   8.446  -9.056
  320   1HG1  ILE  53          2HG1      ILE  53  -6.597   8.624 -11.402
  321   2HG1  ILE  53          3HG1      ILE  53  -6.496   7.202 -10.358
  322   1HG2  ILE  53          1HG2      ILE  53  -5.255  10.472 -11.178
  323   2HG2  ILE  53          2HG2      ILE  53  -4.664  10.683  -9.527
  324   3HG2  ILE  53          3HG2      ILE  53  -3.543  10.224 -10.802
  325   1HD1  ILE  53          1HD1      ILE  53  -6.895   9.940  -9.127
  326   2HD1  ILE  53          2HD1      ILE  53  -8.257   9.018  -9.792
  327   3HD1  ILE  53          3HD1      ILE  53  -7.280   8.334  -8.471
  328    H    LYS  54           H        LYS  54  -2.588   9.131 -12.345
  329    HA   LYS  54           HA       LYS  54  -4.198   8.929 -14.752
  330   1HB   LYS  54          HB2       LYS  54  -2.354  10.741 -13.708
  331   2HB   LYS  54          HB3       LYS  54  -1.374   9.907 -14.919
  332   1HG   LYS  54          HG2       LYS  54  -3.148  10.436 -16.622
  333   2HG   LYS  54          HG3       LYS  54  -4.055  11.294 -15.351
  334   1HD   LYS  54          HD2       LYS  54  -2.072  12.772 -14.963
  335   2HD   LYS  54          HD3       LYS  54  -1.226  11.947 -16.291
  336   1HE   LYS  54          HE2       LYS  54  -3.054  12.655 -17.845
  337   2HE   LYS  54          HE3       LYS  54  -3.823  13.533 -16.503
  338   2HZ   LYS  54          HZ2       LYS  54  -1.143  14.031 -17.566
  339   3HZ   LYS  54          HZ3       LYS  54  -1.850  14.843 -16.321
  340    H    LYS  55           H        LYS  55  -1.272   7.562 -13.428
  341    HA   LYS  55           HA       LYS  55  -0.463   5.988 -15.756
  342   1HB   LYS  55          HB2       LYS  55   1.115   6.620 -13.954
  343   2HB   LYS  55          HB3       LYS  55   0.161   5.716 -12.784
  344   1HG   LYS  55          HG2       LYS  55   1.998   4.381 -13.246
  345   2HG   LYS  55          HG3       LYS  55   0.650   3.600 -14.079
  346   1HD   LYS  55          HD2       LYS  55   1.417   4.762 -16.219
  347   2HD   LYS  55          HD3       LYS  55   2.803   5.389 -15.300
  348   1HE   LYS  55          HE2       LYS  55   3.454   3.020 -14.773
  349   2HE   LYS  55          HE3       LYS  55   2.124   2.457 -15.809
  350   2HZ   LYS  55          HZ2       LYS  55   4.256   2.540 -16.895
  351   3HZ   LYS  55          HZ3       LYS  55   4.330   4.172 -16.681
  352    H    ASN  56           H        ASN  56  -2.453   5.389 -12.885
  353    HA   ASN  56           HA       ASN  56  -4.013   4.005 -12.404
  354   1HB   ASN  56          HB2       ASN  56  -4.398   4.513 -15.188
  355   2HB   ASN  56          HB3       ASN  56  -4.641   2.783 -15.057
  356   1HD2  ASN  56          1HD2      ASN  56  -6.705   4.304 -15.911
  357   2HD2  ASN  56          2HD2      ASN  56  -7.907   4.444 -14.629
  358    H    VAL  57           H        VAL  57  -1.672   3.117 -11.838
  359    HA   VAL  57           HA       VAL  57  -0.911   0.709 -13.001
  360    HB   VAL  57           HB       VAL  57   0.423   2.380 -11.669
  361   1HG1  VAL  57          1HG1      VAL  57  -0.183   0.564  -9.293
  362   2HG1  VAL  57          2HG1      VAL  57   1.000   1.872  -9.371
  363   3HG1  VAL  57          3HG1      VAL  57  -0.711   2.246  -9.529
  364   1HG2  VAL  57          1HG2      VAL  57   0.670  -0.618 -11.713
  365   2HG2  VAL  57          2HG2      VAL  57   1.579   0.586 -12.647
  366   3HG2  VAL  57          3HG2      VAL  57   1.949   0.330 -10.925
  367    H    LEU  58           H        LEU  58  -2.072  -1.093 -13.103
  368    HA   LEU  58           HA       LEU  58  -4.094  -1.858 -11.356
  369   1HB   LEU  58          HB2       LEU  58  -4.152  -2.631 -13.521
  370   2HB   LEU  58          HB3       LEU  58  -2.513  -3.253 -13.500
  371    HG   LEU  58           HG       LEU  58  -4.390  -4.894 -13.595
  372   1HD1  LEU  58          1HD1      LEU  58  -2.969  -6.471 -12.922
  373   2HD1  LEU  58          2HD1      LEU  58  -1.867  -5.155 -12.507
  374   3HD1  LEU  58          3HD1      LEU  58  -2.879  -5.885 -11.262
  375   1HD2  LEU  58          1HD2      LEU  58  -5.560  -3.639 -11.493
  376   2HD2  LEU  58          2HD2      LEU  58  -5.878  -5.316 -11.948
  377   3HD2  LEU  58          3HD2      LEU  58  -4.753  -4.954 -10.641
  378    H    TRP  59           H        TRP  59  -4.300  -2.946  -9.542
  379    HA   TRP  59           HA       TRP  59  -1.979  -4.268  -8.220
  380   1HB   TRP  59          HB2       TRP  59  -4.144  -2.460  -7.262
  381   2HB   TRP  59          HB3       TRP  59  -3.330  -3.540  -6.128
  382    HD1  TRP  59           HD1      TRP  59  -3.265  -0.137  -6.992
  383    HE1  TRP  59           HE1      TRP  59  -1.075   0.992  -6.623
  384    HE3  TRP  59           HE3      TRP  59  -0.322  -4.228  -6.799
  385    HZ2  TRP  59           HZ2      TRP  59   1.944  -0.057  -5.982
  386    HZ3  TRP  59           HZ3      TRP  59   2.047  -4.072  -5.763
  387    HH2  TRP  59           HH2      TRP  59   2.850  -1.970  -4.944
  388    H    ASP  60           H        ASP  60  -2.625  -6.267  -9.131
  389    HA   ASP  60           HA       ASP  60  -4.352  -7.947  -7.605
  390   1HB   ASP  60          HB2       ASP  60  -6.039  -6.689  -9.117
  391   2HB   ASP  60          HB3       ASP  60  -5.262  -7.402 -10.491
  392    H    GLU  61           H        GLU  61  -2.344  -9.336  -7.619
  393    HA   GLU  61           HA       GLU  61  -1.292 -10.186 -10.186
  394   1HB   GLU  61          HB2       GLU  61  -1.111  -7.414  -9.612
  395   2HB   GLU  61          HB3       GLU  61   0.473  -7.942  -9.258
  396   1HG   GLU  61          HG2       GLU  61  -1.123  -8.359 -11.837
  397   2HG   GLU  61          HG3       GLU  61   0.238  -7.256 -11.608
  398    H    ASN  62           H        ASN  62   1.407  -9.508  -9.584
  399    HA   ASN  62           HA       ASN  62   2.285 -11.889  -8.027
  400   1HB   ASN  62          HB2       ASN  62   1.730 -11.508 -10.860
  401   2HB   ASN  62          HB3       ASN  62   3.464 -11.691 -10.698
  402   1HD2  ASN  62          1HD2      ASN  62   1.656 -13.241 -12.145
  403   2HD2  ASN  62          2HD2      ASN  62   1.710 -14.872 -11.474
  404    H    ASN  63           H        ASN  63   3.293  -9.310 -10.356
  405    HA   ASN  63           HA       ASN  63   5.884  -8.831  -9.223
  406   1HB   ASN  63          HB2       ASN  63   3.957  -7.096 -10.799
  407   2HB   ASN  63          HB3       ASN  63   5.530  -6.498 -10.225
  408   1HD2  ASN  63          1HD2      ASN  63   3.907  -8.630 -12.526
  409   2HD2  ASN  63          2HD2      ASN  63   5.394  -8.918 -13.449
  410    H    MET  64           H        MET  64   2.677  -7.440  -8.276
  411    HA   MET  64           HA       MET  64   3.521  -5.776  -6.192
  412   1HB   MET  64          HB2       MET  64   1.277  -6.004  -5.376
  413   2HB   MET  64          HB3       MET  64   1.147  -6.085  -7.151
  414   1HG   MET  64          HG2       MET  64   1.085  -8.601  -6.888
  415   2HG   MET  64          HG3       MET  64   0.975  -8.360  -5.136
  416   1HE   MET  64          HE1       MET  64  -0.957  -5.726  -4.932
  417   2HE   MET  64          HE2       MET  64  -2.339  -6.789  -4.576
  418   3HE   MET  64          HE3       MET  64  -0.754  -7.162  -3.877
  419    H    SER  65           H        SER  65   3.294  -9.292  -6.305
  420    HA   SER  65           HA       SER  65   3.183  -9.635  -3.455
  421   1HB   SER  65          HB2       SER  65   3.256 -11.361  -5.799
  422   2HB   SER  65          HB3       SER  65   4.507 -11.906  -4.674
  423    HG   SER  65           HG       SER  65   2.123 -12.578  -4.543
  424    H    GLU  66           H        GLU  66   5.883  -9.741  -5.831
  425    HA   GLU  66           HA       GLU  66   7.964  -9.637  -3.888
  426   1HB   GLU  66          HB2       GLU  66   7.819  -8.917  -6.830
  427   2HB   GLU  66          HB3       GLU  66   9.314  -8.843  -5.877
  428   1HG   GLU  66          HG2       GLU  66   9.040 -11.231  -5.231
  429   2HG   GLU  66          HG3       GLU  66   7.565 -11.338  -6.205
  430    H    TYR  67           H        TYR  67   6.488  -6.872  -5.752
  431    HA   TYR  67           HA       TYR  67   8.155  -5.062  -4.498
  432   1HB   TYR  67          HB2       TYR  67   5.415  -4.432  -5.871
  433   2HB   TYR  67          HB3       TYR  67   6.388  -3.228  -5.190
  434    HD1  TYR  67           HD1      TYR  67   8.976  -3.195  -5.686
  435    HD2  TYR  67           HD2      TYR  67   5.962  -4.967  -8.203
  436    HE1  TYR  67           HE1      TYR  67  10.476  -2.965  -7.648
  437    HE2  TYR  67           HE2      TYR  67   7.418  -4.618 -10.183
  438    HH   TYR  67           HH       TYR  67   9.392  -3.791 -10.939
  439    H    LEU  68           H        LEU  68   5.009  -6.035  -3.395
  440    HA   LEU  68           HA       LEU  68   5.186  -4.215  -1.147
  441   1HB   LEU  68          HB2       LEU  68   3.318  -6.590  -1.615
  442   2HB   LEU  68          HB3       LEU  68   3.142  -5.387  -0.328
  443    HG   LEU  68           HG       LEU  68   2.717  -4.808  -3.303
  444   1HD1  LEU  68          1HD1      LEU  68   1.117  -6.375  -2.366
  445   2HD1  LEU  68          2HD1      LEU  68   0.669  -5.144  -1.166
  446   3HD1  LEU  68          3HD1      LEU  68   0.450  -4.819  -2.893
  447   1HD2  LEU  68          1HD2      LEU  68   3.355  -2.973  -1.253
  448   2HD2  LEU  68          2HD2      LEU  68   2.414  -2.605  -2.702
  449   3HD2  LEU  68          3HD2      LEU  68   1.594  -3.044  -1.198
  450    H    THR  69           H        THR  69   5.974  -7.704  -1.725
  451    HA   THR  69           HA       THR  69   6.424  -8.498   0.962
  452    HB   THR  69           HB       THR  69   7.817  -9.348  -1.587
  453    HG1  THR  69           HG1      THR  69   5.857 -10.249  -1.390
  454   1HG2  THR  69          1HG2      THR  69   9.501  -9.700   0.166
  455   2HG2  THR  69          2HG2      THR  69   8.273 -10.478   1.198
  456   3HG2  THR  69          3HG2      THR  69   8.773 -11.225  -0.330
  457    H    ASN  70           H        ASN  70   8.639  -6.869  -1.309
  458    HA   ASN  70           HA       ASN  70  10.572  -6.442   0.847
  459   1HB   ASN  70          HB2       ASN  70  10.390  -5.677  -2.073
  460   2HB   ASN  70          HB3       ASN  70  11.537  -4.845  -1.020
  461   1HD2  ASN  70          1HD2      ASN  70  13.499  -5.699  -1.706
  462   2HD2  ASN  70          2HD2      ASN  70  13.844  -7.422  -1.573
  463    HA   PRO  71           HA       PRO  71   9.030  -2.425   2.214
  464   1HB   PRO  71          HB2       PRO  71  11.334  -1.261   3.087
  465   2HB   PRO  71          HB3       PRO  71  10.685  -2.725   3.876
  466   1HG   PRO  71          HG2       PRO  71  12.777  -2.674   1.648
  467   2HG   PRO  71          HG3       PRO  71  12.958  -3.418   3.243
  468   1HD   PRO  71          HD2       PRO  71  12.191  -4.911   1.237
  469   2HD   PRO  71          HD3       PRO  71  11.348  -5.085   2.804
  470    H    ALA  72           H        ALA  72   8.672  -2.334  -0.240
  471    HA   ALA  72           HA       ALA  72  10.218  -0.063  -1.453
  472   1HB   ALA  72          HB1       ALA  72   9.496  -2.637  -2.908
  473   2HB   ALA  72          HB2       ALA  72  10.414  -1.253  -3.533
  474   3HB   ALA  72          HB3       ALA  72  11.104  -2.261  -2.247
  475    H    LYS  73           H        LYS  73   7.270  -2.090  -1.621
  476    HA   LYS  73           HA       LYS  73   5.177  -1.646  -2.287
  477   1HB   LYS  73          HB2       LYS  73   4.110   0.293  -1.163
  478   2HB   LYS  73          HB3       LYS  73   4.954  -0.883  -0.185
  479   1HG   LYS  73          HG2       LYS  73   5.367   1.132   0.842
  480   2HG   LYS  73          HG3       LYS  73   6.870   0.665   0.115
  481   1HD   LYS  73          HD2       LYS  73   6.440   3.077   0.027
  482   2HD   LYS  73          HD3       LYS  73   6.615   2.399  -1.576
  483   1HE   LYS  73          HE2       LYS  73   4.925   3.870  -1.886
  484   2HE   LYS  73          HE3       LYS  73   3.954   2.420  -1.634
  485   2HZ   LYS  73          HZ2       LYS  73   3.456   4.526  -0.657
  486   3HZ   LYS  73          HZ3       LYS  73   4.679   4.354   0.380
  487    H    TYR  74           H        TYR  74   5.932  -1.623  -4.468
  488    HA   TYR  74           HA       TYR  74   4.559   0.389  -5.969
  489   1HB   TYR  74          HB2       TYR  74   7.523   0.616  -5.559
  490   2HB   TYR  74          HB3       TYR  74   7.007   0.822  -7.213
  491    HD1  TYR  74           HD1      TYR  74   8.528   2.806  -6.434
  492    HD2  TYR  74           HD2      TYR  74   4.307   2.421  -5.582
  493    HE1  TYR  74           HE1      TYR  74   8.279   5.263  -6.472
  494    HE2  TYR  74           HE2      TYR  74   4.104   4.843  -5.532
  495    HH   TYR  74           HH       TYR  74   5.186   6.843  -5.692
  496    H    ILE  75           H        ILE  75   3.438  -1.504  -6.860
  497    HA   ILE  75           HA       ILE  75   4.559  -3.169  -8.705
  498    HB   ILE  75           HB       ILE  75   2.005  -2.102  -8.014
  499   1HG1  ILE  75          2HG1      ILE  75   2.776  -4.439  -7.701
  500   2HG1  ILE  75          3HG1      ILE  75   1.207  -4.301  -8.516
  501   1HG2  ILE  75          1HG2      ILE  75   2.160  -1.969 -10.893
  502   2HG2  ILE  75          2HG2      ILE  75   0.949  -3.061 -10.278
  503   3HG2  ILE  75          3HG2      ILE  75   0.901  -1.446  -9.683
  504   1HD1  ILE  75          1HD1      ILE  75   2.671  -4.513 -10.679
  505   2HD1  ILE  75          2HD1      ILE  75   3.889  -5.089  -9.508
  506   3HD1  ILE  75          3HD1      ILE  75   2.320  -5.927  -9.647
  507    HA   PRO  76           HA       PRO  76   4.792   0.002 -12.100
  508   1HB   PRO  76          HB2       PRO  76   5.126   2.686 -11.682
  509   2HB   PRO  76          HB3       PRO  76   3.558   1.853 -11.685
  510   1HG   PRO  76          HG2       PRO  76   5.249   2.646  -9.323
  511   2HG   PRO  76          HG3       PRO  76   3.488   2.852  -9.528
  512   1HD   PRO  76          HD2       PRO  76   4.664   0.881  -8.151
  513   2HD   PRO  76          HD3       PRO  76   3.091   0.602  -8.927
  514    H    GLY  77           H        GLY  77   7.231  -0.751 -10.027
  515   1HA   GLY  77          HA3       GLY  77   8.975  -1.418 -11.707
  516   2HA   GLY  77          HA2       GLY  77   9.172   0.268 -12.105
  517    H    THR  78           H        THR  78   9.058   0.404  -8.801
  518    HA   THR  78           HA       THR  78  11.969   1.061  -9.087
  519    HB   THR  78           HB       THR  78   9.574   2.875  -8.585
  520    HG1  THR  78           HG1      THR  78  10.944   2.756 -11.020
  521   1HG2  THR  78          1HG2      THR  78  12.241   3.256  -9.491
  522   2HG2  THR  78          2HG2      THR  78  12.411   3.874  -8.345
  523   3HG2  THR  78          3HG2      THR  78  11.170   3.890  -7.899
  524    H    ALA  79           H        ALA  79  13.203   1.471  -7.237
  525    HA   ALA  79           HA       ALA  79  13.795   2.332  -5.347
  526   1HB   ALA  79          HB1       ALA  79  12.552   4.220  -6.166
  527   2HB   ALA  79          HB2       ALA  79  11.076   3.655  -5.333
  528   3HB   ALA  79          HB3       ALA  79  12.516   4.188  -4.427
  529    H    MET  80           H        MET  80  12.263   3.079  -2.869
  530    HA   MET  80           HA       MET  80  12.907   0.500  -1.727
  531   1HB   MET  80          HB2       MET  80  14.785   1.442  -3.265
  532   2HB   MET  80          HB3       MET  80  14.911   2.746  -2.112
  533   1HG   MET  80          HG2       MET  80  15.094   0.581  -0.426
  534   2HG   MET  80          HG3       MET  80  15.580  -0.165  -1.954
  535   1HE   MET  80          HE1       MET  80  16.110   3.410  -0.404
  536   2HE   MET  80          HE2       MET  80  16.438   2.272   0.923
  537   3HE   MET  80          HE3       MET  80  17.755   3.256   0.234
  538    H    ALA  81           H        ALA  81  13.459   4.105  -1.146
  539    HA   ALA  81           HA       ALA  81  14.134   3.529   1.522
  540   1HB   ALA  81          HB1       ALA  81  13.722   6.383   0.675
  541   2HB   ALA  81          HB2       ALA  81  14.708   5.701   1.947
  542   3HB   ALA  81          HB3       ALA  81  15.166   5.405   0.277
  543    H    PHE  82           H        PHE  82  11.256   2.874   1.107
  544    HA   PHE  82           HA       PHE  82   9.984   4.144   3.418
  545   1HB   PHE  82          HB2       PHE  82   8.487   2.950   2.109
  546   2HB   PHE  82          HB3       PHE  82   9.614   1.626   1.826
  547    HD1  PHE  82           HD1      PHE  82   8.514   3.229   5.035
  548    HD2  PHE  82           HD2      PHE  82   8.698  -0.316   2.649
  549    HE1  PHE  82           HE1      PHE  82   8.217   1.879   7.070
  550    HE2  PHE  82           HE2      PHE  82   8.707  -1.691   4.701
  551    HZ   PHE  82           HZ       PHE  82   8.771  -0.519   6.953
  552    H    GLY  83           H        GLY  83  12.487   1.717   2.810
  553   1HA   GLY  83          HA3       GLY  83  14.360   2.809   3.418
  554   2HA   GLY  83          HA2       GLY  83  13.507   3.623   4.713
  555    H    GLY  84           H        GLY  84  13.869   0.085   4.679
  556   1HA   GLY  84          HA3       GLY  84  16.030  -0.963   5.190
  557   2HA   GLY  84          HA2       GLY  84  16.413   0.340   6.283
  558    H    LEU  85           H        LEU  85  13.099  -0.776   6.189
  559    HA   LEU  85           HA       LEU  85  13.429  -3.164   7.774
  560   1HB   LEU  85          HB2       LEU  85  11.255  -2.120   7.721
  561   2HB   LEU  85          HB3       LEU  85  11.311  -1.917   5.977
  562    HG   LEU  85           HG       LEU  85  10.946  -4.199   5.550
  563   1HD1  LEU  85          1HD1      LEU  85  10.699  -5.692   8.190
  564   2HD1  LEU  85          2HD1      LEU  85  11.071  -4.388   8.369
  565   3HD1  LEU  85          3HD1      LEU  85  10.628  -5.679   6.896
  566   1HD2  LEU  85          1HD2      LEU  85   8.733  -4.226   6.055
  567   2HD2  LEU  85          2HD2      LEU  85   8.989  -3.888   7.785
  568   3HD2  LEU  85          3HD2      LEU  85   9.085  -2.597   6.620
  569    H    LYS  86           H        LYS  86  12.922  -4.982   6.355
  570    HA   LYS  86           HA       LYS  86  15.078  -5.299   4.350
  571   1HB   LYS  86          HB3       LYS  86  14.998  -5.428   7.213
  572   2HB   LYS  86          HB2       LYS  86  14.820  -7.051   6.728
  573   1HG   LYS  86          HG2       LYS  86  17.105  -6.799   7.017
  574   2HG   LYS  86          HG3       LYS  86  16.873  -6.834   5.265
  575   1HD   LYS  86          HD3       LYS  86  18.426  -5.069   5.990
  576   2HD   LYS  86          HD2       LYS  86  17.040  -4.372   5.161
  577   1HE   LYS  86          HE2       LYS  86  17.798  -3.126   7.236
  578   2HE   LYS  86          HE3       LYS  86  16.097  -3.607   7.218
  579   2HZ   LYS  86          HZ2       LYS  86  17.069  -4.001   9.283
  580   3HZ   LYS  86          HZ3       LYS  86  18.241  -4.968   8.647
  581    H    LYS  87           H        LYS  87  12.109  -6.842   5.778
  582    HA   LYS  87           HA       LYS  87  13.694  -9.299   5.349
  583   1HB   LYS  87          HB2       LYS  87  13.063  -7.829   7.674
  584   2HB   LYS  87          HB3       LYS  87  11.854  -9.077   7.666
  585   1HG   LYS  87          HG2       LYS  87  13.697  -9.887   8.944
  586   2HG   LYS  87          HG3       LYS  87  13.702 -10.806   7.437
  587   1HD   LYS  87          HD2       LYS  87  15.451  -9.067   6.597
  588   2HD   LYS  87          HD3       LYS  87  15.553  -8.550   8.295
  589   1HE   LYS  87          HE3       LYS  87  16.163 -11.286   7.098
  590   2HE   LYS  87          HE2       LYS  87  17.330 -10.080   7.672
  591   2HZ   LYS  87          HZ2       LYS  87  15.426 -11.620   9.290
  592   3HZ   LYS  87          HZ3       LYS  87  16.306 -10.337   9.867
  593    H    GLU  88           H        GLU  88  12.809 -11.296   5.680
  594    HA   GLU  88           HA       GLU  88  11.210 -12.960   5.236
  595   1HB   GLU  88          HB2       GLU  88  10.985 -11.265   7.690
  596   2HB   GLU  88          HB3       GLU  88   9.727 -12.483   7.500
  597   1HG   GLU  88          HG2       GLU  88  11.206 -14.272   7.479
  598   2HG   GLU  88          HG3       GLU  88  12.628 -13.259   7.164
  599    H    LYS  89           H        LYS  89   8.804 -10.810   6.565
  600    HA   LYS  89           HA       LYS  89   6.912 -11.638   4.463
  601   1HB   LYS  89          HB2       LYS  89   8.148 -13.667   5.736
  602   2HB   LYS  89          HB3       LYS  89   7.064 -13.251   7.040
  603   1HG   LYS  89          HG2       LYS  89   5.161 -13.652   5.564
  604   2HG   LYS  89          HG3       LYS  89   6.220 -13.948   4.172
  605   1HD   LYS  89          HD2       LYS  89   6.611 -15.547   6.707
  606   2HD   LYS  89          HD3       LYS  89   5.210 -15.914   5.704
  607   1HE   LYS  89          HE2       LYS  89   7.300 -17.318   5.334
  608   2HE   LYS  89          HE3       LYS  89   6.504 -16.671   3.889
  609   2HZ   LYS  89          HZ2       LYS  89   8.177 -15.175   3.585
  610   3HZ   LYS  89          HZ3       LYS  89   8.980 -16.526   4.082
  611    H    ASP  90           H        ASP  90   7.053  -9.082   5.824
  612    HA   ASP  90           HA       ASP  90   5.038  -9.291   7.897
  613   1HB   ASP  90          HB2       ASP  90   5.197  -6.628   7.571
  614   2HB   ASP  90          HB3       ASP  90   6.353  -7.548   8.560
  615    H    ARG  91           H        ARG  91   5.404  -7.892   4.721
  616    HA   ARG  91           HA       ARG  91   2.828  -7.150   4.090
  617   1HB   ARG  91          HB2       ARG  91   4.787  -6.934   2.622
  618   2HB   ARG  91          HB3       ARG  91   4.817  -8.683   2.376
  619   1HG   ARG  91          HG2       ARG  91   2.639  -6.795   1.403
  620   2HG   ARG  91          HG3       ARG  91   3.946  -7.501   0.438
  621   1HD   ARG  91          HD3       ARG  91   2.918  -9.715   1.581
  622   2HD   ARG  91          HD2       ARG  91   1.456  -8.715   1.256
  623    HE   ARG  91           HE       ARG  91   3.276  -9.119  -1.008
  624   1HH1  ARG  91          2HH2      ARG  91   0.884 -10.652   1.051
  625   2HH1  ARG  91          1HH2      ARG  91   0.904 -12.186   0.232
  626   1HH2  ARG  91          2HH1      ARG  91   3.010 -11.217  -2.330
  627   2HH2  ARG  91          1HH1      ARG  91   2.183 -12.477  -1.542
  628    H    ASN  92           H        ASN  92   3.905 -10.552   4.182
  629    HA   ASN  92           HA       ASN  92   1.715 -11.733   2.865
  630   1HB   ASN  92          HB2       ASN  92   3.887 -12.771   3.642
  631   2HB   ASN  92          HB3       ASN  92   3.119 -12.949   5.235
  632   1HD2  ASN  92          1HD2      ASN  92   2.634 -15.127   5.393
  633   2HD2  ASN  92          2HD2      ASN  92   1.843 -16.047   4.114
  634    H    ASP  93           H        ASP  93   2.030 -11.511   6.451
  635    HA   ASP  93           HA       ASP  93  -0.581 -12.011   7.165
  636   1HB   ASP  93          HB2       ASP  93   1.610 -10.359   8.413
  637   2HB   ASP  93          HB3       ASP  93   0.092 -10.796   9.234
  638    H    LEU  94           H        LEU  94   0.875  -8.780   6.479
  639    HA   LEU  94           HA       LEU  94  -1.404  -7.171   6.993
  640   1HB   LEU  94          HB2       LEU  94   0.631  -6.145   6.752
  641   2HB   LEU  94          HB3       LEU  94   1.017  -6.958   5.253
  642    HG   LEU  94           HG       LEU  94  -0.133  -5.494   3.902
  643   1HD1  LEU  94          1HD1      LEU  94  -1.803  -4.679   6.283
  644   2HD1  LEU  94          2HD1      LEU  94  -1.601  -3.607   4.867
  645   3HD1  LEU  94          3HD1      LEU  94  -2.294  -5.189   4.652
  646   1HD2  LEU  94          1HD2      LEU  94   0.993  -3.987   6.263
  647   2HD2  LEU  94          2HD2      LEU  94   1.887  -4.591   4.873
  648   3HD2  LEU  94          3HD2      LEU  94   0.704  -3.284   4.638
  649    H    ILE  95           H        ILE  95  -0.433  -8.449   3.784
  650    HA   ILE  95           HA       ILE  95  -2.860  -7.717   2.447
  651    HB   ILE  95           HB       ILE  95  -0.543  -9.462   1.844
  652   1HG1  ILE  95          2HG1      ILE  95  -0.240  -7.998  -0.095
  653   2HG1  ILE  95          3HG1      ILE  95  -1.830  -7.292   0.058
  654   1HG2  ILE  95          1HG2      ILE  95  -3.151  -9.669   0.345
  655   2HG2  ILE  95          2HG2      ILE  95  -1.580 -10.139  -0.336
  656   3HG2  ILE  95          3HG2      ILE  95  -2.198 -10.958   1.101
  657   1HD1  ILE  95          1HD1      ILE  95   0.205  -6.950   2.236
  658   2HD1  ILE  95          2HD1      ILE  95   0.190  -5.964   0.773
  659   3HD1  ILE  95          3HD1      ILE  95  -1.228  -5.952   1.803
  660    H    THR  96           H        THR  96  -1.993 -10.714   4.269
  661    HA   THR  96           HA       THR  96  -4.437 -12.076   3.879
  662    HB   THR  96           HB       THR  96  -2.241 -12.182   5.797
  663    HG1  THR  96           HG1      THR  96  -2.539 -13.716   4.271
  664   1HG2  THR  96          1HG2      THR  96  -3.351 -13.507   7.517
  665   2HG2  THR  96          2HG2      THR  96  -3.860 -11.826   7.595
  666   3HG2  THR  96          3HG2      THR  96  -4.941 -13.056   6.879
  667    H    TYR  97           H        TYR  97  -3.682  -9.620   6.379
  668    HA   TYR  97           HA       TYR  97  -6.238  -9.529   7.580
  669   1HB   TYR  97          HB2       TYR  97  -3.745  -8.087   7.790
  670   2HB   TYR  97          HB3       TYR  97  -5.021  -6.902   7.634
  671    HD1  TYR  97           HD1      TYR  97  -3.403  -9.247   9.850
  672    HD2  TYR  97           HD2      TYR  97  -7.062  -7.060   9.199
  673    HE1  TYR  97           HE1      TYR  97  -4.025  -9.556  12.240
  674    HE2  TYR  97           HE2      TYR  97  -7.674  -7.378  11.581
  675    HH   TYR  97           HH       TYR  97  -7.062  -8.267  13.580
  676    H    LEU  98           H        LEU  98  -4.883  -7.503   4.951
  677    HA   LEU  98           HA       LEU  98  -7.281  -6.038   4.421
  678   1HB   LEU  98          HB2       LEU  98  -5.007  -6.879   2.647
  679   2HB   LEU  98          HB3       LEU  98  -6.309  -5.826   2.076
  680    HG   LEU  98           HG       LEU  98  -4.562  -5.130   4.466
  681   1HD1  LEU  98          1HD1      LEU  98  -3.382  -3.628   2.816
  682   2HD1  LEU  98          2HD1      LEU  98  -3.197  -5.353   2.444
  683   3HD1  LEU  98          3HD1      LEU  98  -4.345  -4.382   1.518
  684   1HD2  LEU  98          1HD2      LEU  98  -6.772  -3.900   4.296
  685   2HD2  LEU  98          2HD2      LEU  98  -5.357  -2.859   4.104
  686   3HD2  LEU  98          3HD2      LEU  98  -6.290  -3.352   2.677
  687    H    LYS  99           H        LYS  99  -6.215  -9.241   3.097
  688    HA   LYS  99           HA       LYS  99  -8.521  -9.658   1.473
  689   1HB   LYS  99          HB2       LYS  99  -6.309 -11.260   2.484
  690   2HB   LYS  99          HB3       LYS  99  -7.800 -12.138   2.774
  691   1HG   LYS  99          HG2       LYS  99  -6.709 -12.717   0.676
  692   2HG   LYS  99          HG3       LYS  99  -8.366 -12.121   0.427
  693   1HD   LYS  99          HD2       LYS  99  -7.566  -9.986  -0.348
  694   2HD   LYS  99          HD3       LYS  99  -5.901 -10.361   0.126
  695   1HE   LYS  99          HE2       LYS  99  -7.196 -10.731  -2.400
  696   2HE   LYS  99          HE3       LYS  99  -5.536 -11.161  -1.961
  697   2HZ   LYS  99          HZ2       LYS  99  -7.963 -12.754  -1.870
  698   3HZ   LYS  99          HZ3       LYS  99  -6.665 -12.960  -2.827
  699    H    LYS 100           H        LYS 100  -8.119 -10.628   4.899
  700    HA   LYS 100           HA       LYS 100 -10.879 -11.344   5.233
  701   1HB   LYS 100          HB2       LYS 100  -8.736 -10.392   7.177
  702   2HB   LYS 100          HB3       LYS 100 -10.381 -10.752   7.696
  703   1HG   LYS 100          HG2       LYS 100  -9.559 -12.920   6.006
  704   2HG   LYS 100          HG3       LYS 100  -8.194 -12.577   7.057
  705   1HD   LYS 100          HD2       LYS 100  -9.213 -13.565   8.822
  706   2HD   LYS 100          HD3       LYS 100 -10.696 -12.628   8.618
  707   1HE   LYS 100          HE2       LYS 100 -11.456 -14.165   6.838
  708   2HE   LYS 100          HE3       LYS 100  -9.997 -15.152   7.081
  709   2HZ   LYS 100          HZ2       LYS 100 -11.831 -16.011   8.252
  710   3HZ   LYS 100          HZ3       LYS 100 -12.092 -14.587   9.032
  711    H    ALA 101           H        ALA 101  -9.430  -8.112   5.523
  712    HA   ALA 101           HA       ALA 101 -11.868  -6.962   6.522
  713   1HB   ALA 101          HB1       ALA 101 -10.755  -4.802   6.080
  714   2HB   ALA 101          HB2       ALA 101  -9.674  -5.941   6.910
  715   3HB   ALA 101          HB3       ALA 101  -9.485  -5.642   5.168
  716    H    THR 102           H        THR 102 -10.481  -7.229   3.277
  717    HA   THR 102           HA       THR 102 -12.499  -5.564   1.986
  718    HB   THR 102           HB       THR 102 -10.261  -7.182   0.685
  719    HG1  THR 102           HG1      THR 102 -10.067  -4.520   1.534
  720   1HG2  THR 102          1HG2      THR 102 -10.382  -5.424  -1.017
  721   2HG2  THR 102          2HG2      THR 102 -11.975  -6.159  -0.843
  722   3HG2  THR 102          3HG2      THR 102 -11.650  -4.574  -0.106
  723    H    GLU 103           H        GLU 103 -11.379  -8.959   1.689
  724    HA   GLU 103           HA       GLU 103 -13.421  -9.626  -0.335
  725   1HB   GLU 103          HB2       GLU 103 -10.881 -10.953   0.710
  726   2HB   GLU 103          HB3       GLU 103 -12.099 -11.845  -0.190
  727   1HG   GLU 103          HG2       GLU 103 -11.571  -9.487  -1.727
  728   2HG   GLU 103          HG3       GLU 103 -10.004 -10.082  -1.163
  729    HHA  HEC 118           HHA      HEC 118  -0.522   5.142  -1.993
  730    HHB  HEC 118           HHB      HEC 118   1.433  -0.734  -0.230
  731    HHC  HEC 118           HHC      HEC 118   5.145   1.961   4.334
  732    HHD  HEC 118           HHD      HEC 118   3.049   7.762   2.662
  733   1HMA  HEC 118          1HMA      HEC 118  -1.269  -0.301  -2.299
  734   2HMA  HEC 118          2HMA      HEC 118   0.011  -0.053  -3.496
  735   3HMA  HEC 118          3HMA      HEC 118   0.333  -1.010  -2.056
  736   1HAA  HEC 118          1HAA      HEC 118  -1.910   3.487  -2.882
  737   2HAA  HEC 118          2HAA      HEC 118  -1.911   1.775  -3.257
  738   1HBA  HEC 118          1HBA      HEC 118  -1.379   2.851  -5.300
  739   2HBA  HEC 118          2HBA      HEC 118   0.130   2.147  -4.731
  740   1HMB  HEC 118          1HMB      HEC 118   3.409  -2.655   1.307
  741   2HMB  HEC 118          2HMB      HEC 118   2.391  -2.585   2.775
  742   3HMB  HEC 118          3HMB      HEC 118   1.695  -2.230   1.241
  743    HAB  HEC 118           HAB      HEC 118   5.759  -0.775   3.549
  744   1HBB  HEC 118          1HBB      HEC 118   4.690  -2.910   3.132
  745   2HBB  HEC 118          2HBB      HEC 118   5.341  -2.777   4.752
  746   3HBB  HEC 118          3HBB      HEC 118   3.602  -2.635   4.543
  747   1HMC  HEC 118          1HMC      HEC 118   5.889   5.039   6.338
  748   2HMC  HEC 118          2HMC      HEC 118   4.993   3.512   6.360
  749   3HMC  HEC 118          3HMC      HEC 118   6.457   3.687   5.399
  750    HAC  HEC 118           HAC      HEC 118   4.701   6.736   6.067
  751   1HBC  HEC 118          1HBC      HEC 118   6.784   7.049   4.785
  752   2HBC  HEC 118          2HBC      HEC 118   5.930   8.159   3.687
  753   3HBC  HEC 118          3HBC      HEC 118   6.139   8.585   5.403
  754   1HMD  HEC 118          1HMD      HEC 118   1.669   9.289   2.010
  755   2HMD  HEC 118          2HMD      HEC 118   1.749   9.679   0.282
  756   3HMD  HEC 118          3HMD      HEC 118   0.192   9.501   1.096
  757   1HAD  HEC 118          1HAD      HEC 118  -0.972   8.675  -0.573
  758   2HAD  HEC 118          2HAD      HEC 118  -1.508   7.133  -1.209
  759   1HBD  HEC 118          1HBD      HEC 118  -1.006   8.819  -2.969
  760   2HBD  HEC 118          2HBD      HEC 118   0.043   7.398  -3.134