*HEADER    OXYGEN STORAGE/TRANSPORT                30-JAN-02   1KX2              
*TITLE     MINIMIZED AVERAGE STRUCTURE OF A MONO-HEME FERROCYTOCHROME            
*TITLE    2 C FROM SHEWANELLA PUTREFACIENS                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MONO-HEME C-TYPE CYTOCHROME SCYA;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MONO-HEME FERROCYTOCHROME C;                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SHEWANELLA PUTREFACIENS;                        
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: SCYA;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)C41;                              
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PPB10SCYA                                 
*KEYWDS    HAEM PROTEIN, FERROCYTOCHROME, ELECTRON TRANSPORT, GRAM               
*KEYWDS   2 NEGATIVE, BACTERIA, SCYA SHEWANELLA PUTREFACIENS, MONO HAEM,         
*KEYWDS   3 ALL-ALPHA                                                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    I.BARTALESI, I.BERTINI, P.HAJIEVA, A.ROSATO, P.R.VASOS                
*REVDAT   1   13-FEB-02 1KX2    0                                                
Table 1: 15N and 1HNMR chemical shifts of amino acid residues in the reduced cytochrome c from 
Shewanella putrefaciens (T=298 K).
         Notations a, b, g, d, e  stand respectively for alpha, beta, gamma, epsilon
                                  -CH3 stands for a methyl group corresponding to the frequency
                                  -N for a nitrogen frequency assignment


Res	Nr.	N     	HN	Ha	Hb          Others
ALA	-3	-	-	-	-	
ASP	-2	107.60	8.28	4.59	2.52, 2.36	
LEU	-1	122.37	8.28	4.26	1.59, 1.55	g (4.74) d-CH3 (0.86, 0.80)
GLN	1	121.41	8.54	4.18	1.97, 1.88	g (2.36, 2.17)  e-N(112.09) e (7.39, 6.52)
ASP	2	121.41	8.25	4.41	2.66, 265	
ALA	3	124.30	8.34	3.74	1.23	
GLU	4	116.27	7.86	2.83	1.73, 1.46	g (2.65, 2.04)
ALA	5	121.09	7.55	4.08	1.49	
ILE	6	118.84	7.74	3.58	2.07	      d-CH3 (1.19) g-CH3 (1.04, 2.15)
TYR	7	118.84	8.30	3.85	2.99, 2.80	d-CH3 (6.91)
ASN	8	114.99	8.79	4.20	2.72, 2.83	d (7.49,7.00), d-N (111.13)
LYS	9	115.95	7.68	4.60	2.18, 1.81	e-CH3 (2.07) g-CH3 (1.38) d-CH3(1.65)
ALA	10	123.02	7.80	5.04	2.00	
CYS	11	114.34	8.30	5.27	2.47, 2.35	
THR	12	113.38	8.46	3.15	2.91	       g-CH3  (0.93 )
VAL	13	118.20	7.24	3.78	2.51	       g-CH3  (1.28,1.36)
CYS	14	111.77	6.27	4.66	2.53, 1.21	
HIS	15	114.02	6.97	2.39	1.28, 1.90	 d (0.87) e (0.00)  d-HN (10.19)
SER	16	115.63	7.56	3.92	2.89,4.00	
MET	17	113.06	7.62	4.51	1.98, 1.67	 g (2.46, 2.28)
GLY	18	108.88	6.85	3.56,
                              3.48	  -	
VAL	19	122.37	7.62	3.58	1.91	       g-CH3   (1.23, 1.12)
ALA	20	155.14	9.05	4.09	1.71	
GLY	21	102.14	7.71	4.21,
                              3.47		
ALA	22	125.59	7.41	3.22	-1.39	
PRO	23	-	-	3.49	0.72, -0.62	       g (0.61,-0.01) d-CH2 (2.17)
LYS	24	127.83	9.16	3.88	1.41, 1.32	 d-CH3  (1.21)  g-CH3  (0.75)
SER	25	126.55	8.01	3.31	2.86, 2.74	
HIS	26	117.88	9.38	3.68	3.05, 3.22	 d (6.48)
ASN	27	118.20	7.74	4.82	2.14, 3.13	 d (7.27,6.71) d-N(111.45)
THR	28	119.48	8.41	3.83	4.19	       g-CH3 (1.21)
ALA	29	124.30	8.06	4.19	1.39	
ASP	30	116.91	7.89	4.20	2.58, 1.86	
TRP	31	115.63	7.54	4.09	3.14, 2.85	 d (7.42)  z (7.17, 5.6) h (5.91)  e-HN (10.15)   e (7.34) ) e-N (131.37)
GLU	32	123.66	8.45	4.19	2.24, 2.17	 g  (3.76, 3.67)
PRO	33	-	-	4.50	-	             d (3.76)
ARG	34	114.34	7.05	4.32	2.42, 2.24	 d-CH3 (3.45)  g-CH3 (1.89)
LEU	35	118.20	8.84	4.07	1.56, 1.99	 g  (1.22) d-CH3 (0.87, 0.96)
ALA	36	119.80	7.34	4.16	1.46	
LYS	37	115.31	7.75	4.20	2.08, 1.98	 g-CH3 (1.49) d-CH3 (1.83) e-CH3 (2.15)
GLY	38	106.63	7.66	4.69,
                              3.80	-	
VAL	39	125.26	8.93	3.74	2.16	       g-CH3 (1.14, 1.03)
ASP	40	118.84	8.68	4.33	2.59, 2.51	
ASN	41	118.52	7.68	4.48	2.80, 2.65	 d (7.95 ,7.14)  d-N (114.34)
LEU	42	121.73	8.01	4.33	2.52, 2.00	 g (2.16)  d -CH3 (1.37, 1.22)
VAL	43	118.84	8.35	3.25	2.18	       g-CH3 (1.11, 0.86)
LYS	44	117.56	7.11	3.65	1.83	       e-CH3 (1.58)  g-CH3 (1.26)  d-CH3 (1.46)
SER	45	115.31	7.62	3.57	3.88, 2.92	
VAL	46	117.23	6.85	1.35	0.58	       g-CH3 (-0.36, -0.26)
LYS	47	117.56	7.18	3.10	1.55, 1.42	 e-CH3 (2.80) d-CH3 (1.25) g-CH3 (1.03)
THR	48	108.56	7.94	3.75	3.90	       g-CH3 (0.97)
GLY	49	111.77	6.87	3.33,
                              1.90	-	
LEU	50	118.84	6.76	3.74	0.58, 0.28	 d-CH3 (1.01 , 0.65)
ASN	51	125.59	9.02	3.92	3.08, 2.84	 d (8.01, 6.94) d-N (114.02)
ALA	52	123.02	7.86	4.22	1.79	
MET	53	120.12	7.80	3.20	-0.88	       g (-3.94, -1.24)  e-CH3 (-3.34)
PRO	54	-	-	3.92	0.97	             g (2.63) d (3.18)
PRO	55	-	-	    3.35	1.75,1.62-	 g (1.15) d (2.97)
GLY	56	115.95	8.74	4.20,
                              3.16	-	
GLY	57	110.17	7.76	2.80,
                              1.98	-	
MET	58	105.35	8.30	3.85	2.90, 2.79	 g (2.69, 2.63)
CYS	59	118.20	7.88	4.89	3.18, 3.47	
THR	60	114.66	7.84	4.20	4.27	       g-CH3 (1.15)
ASP	61	119.18	8.12	4.61	2.84, 2.44	
CYS	62	119.16	7.44	4.86	2.60, 1.52	
THR	63	115.95	9.36	4.38	2.76	       g-CH3 (1.24)
ASP	64	121.09	9.00	4.39	2.65, 1.24	
GLU	65	118.20	8.26	3.90	1.92	       g  (2.36, 2.26)
ASP	66	122.37	7.62	4.33	2.77, 2.42	
TYR	67	116.59	8.02	4.56	3.22, 3.05	 e  (6.68) d (7.04)
LYS	68	118.84	8.34	3.74	0.93, 1.23	 g-CH3 (1.03) d-CH3 (1.13)
ALA	69	120.77	8.17	4.20	1.55	
ALA	70	121.41	8.54	4.16	2.02	
ILE	71	119.16	8.77	3.34	2.12	       g-CH3 (0.94)  d-CH3 (2.93)
GLU	72	121.41	8.55	3.58	1.90	       g (2.11, 2.39)
PHE	73	116.91	7.70	3.95	3.03, 2.96	 e (6.61) d (6.70) z (7.04)
MET	74	114.02	7.70	2.74	1.15, 0.75	 g (1.58, 2.21) e-CH3(0.39)
SER	75	109.20	7.09	2.75	3.58, 2.63	
LYS	76	118.84	6.38	4.20	1.53, 1.29	 d-CH3 (2.46) g-CH3 (1.59)
ALA	77	123.98	8.19	4.03	1.23	
LYS	78	125.59	7.83	3.59	0.95, 1.23	 g-CH3  (1.19)  d-CH3 (0.82) e-CH3 (2.63)



Heme Assignments

QAP6 3.58 QM8 2.93 HDM 9.41 QM1 3.70 QT2 2.47 HT2A  6.35 
HAM 10.20 QM3 3.64 QT4 2.44  HT4A  6.33 HBM  9.40 QM5 3.39.
















 


Table 2: NOEs
Atom 1       	Atom 2      	dist
-2	ASP 	HA	-2	ASP 	HB2	4.9
-2	ASP 	HN	-2	ASP 	HB2	4.5
-2	ASP 	HA	-1	LEU	HN	3.3
-2	ASP 	HB2	-1	LEU	HN	4
-2	ASP 	HB3	-1	LEU	HN	6
-1	LEU	HA	-1	LEU	HB2	5.2
-1	LEU	HA	-1	LEU	HB3	3.9
-1	LEU	HA	-1	LEU	QD1	6.4
-1	LEU	HA	-1	LEU	QD2	5.5
-1	LEU	HB2	-1	LEU	HG	4.9
-1	LEU	HB2	-1	LEU	QD1	6.6
-1	LEU	HB2	-1	LEU	QD2	6.3
-1	LEU	HB3	-1	LEU	HG	5.5
-1	LEU	HB3	-1	LEU	QD1	4.3
-1	LEU	HB3	-1	LEU	QD2	4.3
-1	LEU	HG	-1	LEU	QD1	7
-1	LEU	HN	-1	LEU	HA	3.6
-1	LEU	HN	-1	LEU	HB2	4.6
-1	LEU	HN	-1	LEU	HB3	3.7
-1	LEU	HN	-1	LEU	HG	4.4
-1	LEU	HN	-1	LEU	QB	4.4
-1	LEU	HN	-1	LEU	QD1	6.5
-1	LEU	HN	-1	LEU	QD2	6.4
-1	LEU	HA	1	GLN	HN	3.7
-1	LEU	HB2	1	GLN	HN	4.9
-1	LEU	HB3	1	GLN	HN	4.3
-1	LEU	HN	1	GLN	HN	3.7
-1	LEU	QD1	1	GLN	HN	6.1
-1	LEU	QD2	1	GLN	HN	5.8
-1	LEU	HB3	2	ASP 	HN	4.8
-1	LEU	QD1	2	ASP 	HN	7
-1	LEU	QD2	2	ASP 	HN	7
-1	LEU	HB3	63	THR	HN	6
-1	LEU	QD1	65	GLU 	HN	7
-1	LEU	QD2	66	ASP 	HA	7
1	GLN	HA	1	GLN	HB2	3.3
1	GLN	HA	1	GLN	HB3	3.6
1	GLN	HA	1	GLN	HG3	4.9
1	GLN	HB2	1	GLN	HE21	6
1	GLN	HB2	1	GLN	HE22	6
1	GLN	HB2	1	GLN	HG3	3.7
1	GLN	HB3	1	GLN	HE21	5.9
1	GLN	HB3	1	GLN	HE22	5.5
1	GLN	HG2	1	GLN	HE21	4.9
1	GLN	HG2	1	GLN	HE22	4.1
1	GLN	HG3	1	GLN	HE21	5.7
1	GLN	HG3	1	GLN	HE22	5
1	GLN	HN	1	GLN	HA	5
1	GLN	HN	1	GLN	HB2	4.6
1	GLN	HN	1	GLN	HB3	4.3
1	GLN	HN	1	GLN	HE22	6
1	GLN	HN	1	GLN	HG2	6
1	GLN	HN	1	GLN	HG3	5.2
1	GLN	HA	2	ASP 	HN	4
1	GLN	HB2	2	ASP 	HN	3.8
1	GLN	HB3	2	ASP 	HN	4.4
1	GLN	HG2	2	ASP 	HN	5.8
1	GLN	HG3	2	ASP 	HB2	6
1	GLN	HG3	2	ASP 	HN	6
1	GLN	HN	2	ASP 	HB2	5.1
1	GLN	HN	2	ASP 	HN	3.7
1	GLN	HB3	5	ALA	QB	4.8
1	GLN	HA	66	ASP 	HB3	5.2
2	ASP 	HA	2	ASP 	HB2	4.8
2	ASP 	HA	2	ASP 	HB3	3.6
2	ASP 	HN	2	ASP 	HA	3.7
2	ASP 	HN	2	ASP 	HB2	3.2
2	ASP 	HN	2	ASP 	HB3	3.7
2	ASP 	HA	3	ALA	HN	3.2
2	ASP 	HB2	3	ALA	HN	3.5
2	ASP 	HN	3	ALA	HA	5.6
2	ASP 	HN	3	ALA	HN	4.1
2	ASP 	HN	3	ALA	QB	6.2
2	ASP 	HA	4	GLU 	HN	5
2	ASP 	HB2	4	GLU 	HN	6
2	ASP 	HA	5	ALA	HN	6
2	ASP 	HB2	5	ALA	HN	4.4
2	ASP 	HB2	5	ALA	QB	4.4
2	ASP 	HN	5	ALA	HN	5.5
2	ASP 	HN	5	ALA	QB	4.4
2	ASP 	HB2	6	ILE	HN	5.1
2	ASP 	HN	6	ILE	HN	6
3	ALA	HA	3	ALA	QB	3.4
3	ALA	HN	3	ALA	HA	3.8
3	ALA	HN	3	ALA	QB	3.8
3	ALA	HA	4	GLU 	HN	4.5
3	ALA	HN	4	GLU 	HA	6
3	ALA	HN	4	GLU 	HB2	6
3	ALA	HN	4	GLU 	HN	3.7
3	ALA	QB	4	GLU 	HB2	7
3	ALA	QB	4	GLU 	HN	4.1
3	ALA	HA	5	ALA	HN	6
3	ALA	HN	5	ALA	HN	4.4
3	ALA	HA	6	ILE	HN	5.2
3	ALA	HN	6	ILE	HN	5.2
3	ALA	QB	6	ILE	HN	6
3	ALA	HA	7	TYR	HN	4
3	ALA	QB	7	TYR	HN	6
3	ALA	HA	69	ALA	QB	5.5
3	ALA	HN	69	ALA	QB	5.5
3	ALA	QB	70	ALA	HA	7
3	ALA	QB	70	ALA	HN	5.7
3	ALA	QB	73	PHE	HA	7
3	ALA	QB	73	PHE	HB2	5.1
3	ALA	QB	73	PHE	HB3	5.9
3	ALA	QB	73	PHE	HN	5.7
3	ALA	QB	73	PHE	QD	7.8
3	ALA	QB	73	PHE	QE	9
4	GLU 	HA	4	GLU 	HB2	4.5
4	GLU 	HA	4	GLU 	HB3	3.4
4	GLU 	HN	4	GLU 	HA	3.6
4	GLU 	HN	4	GLU 	HB2	3.4
4	GLU 	HN	4	GLU 	HB3	3
4	GLU 	HN	4	GLU 	HG2	6
4	GLU 	HN	4	GLU 	HG3	4.6
4	GLU 	HA	5	ALA	HN	4.7
4	GLU 	HB2	5	ALA	HN	4.1
4	GLU 	HG2	5	ALA	HN	4.7
4	GLU 	HG2	5	ALA	QB	5.9
4	GLU 	HG3	5	ALA	HN	6
4	GLU 	HN	5	ALA	HA	5.8
4	GLU 	HN	5	ALA	HN	3
4	GLU 	HA	6	ILE	HN	5.3
4	GLU 	HN	6	ILE	HN	4.5
4	GLU 	HA	7	TYR	HN	4.1
4	GLU 	HN	7	TYR	HB2	6
4	GLU 	HB2	8	ASN	HD21	6
4	GLU 	HB2	8	ASN	HD22	6
4	GLU 	HG3	8	ASN	HD21	5.5
4	GLU 	HG3	8	ASN	HD22	5
4	GLU 	HG2	73	PHE	HZ	6
5	ALA	HA	5	ALA	QB	3.5
5	ALA	HN	5	ALA	HA	3.5
5	ALA	HN	5	ALA	QB	3.5
5	ALA	HA	6	ILE	HN	4.6
5	ALA	HN	6	ILE	HA	6
5	ALA	HN	6	ILE	HB	4.5
5	ALA	HN	6	ILE	HN	3.4
5	ALA	QB	6	ILE	HA	7
5	ALA	QB	6	ILE	HN	4.2
5	ALA	HA	7	TYR	HN	4.9
5	ALA	HN	7	TYR	HN	4.5
5	ALA	QB	7	TYR	HN	6.3
5	ALA	HA	8	ASN	HB2	4.2
5	ALA	HA	8	ASN	HB3	3.7
5	ALA	HA	8	ASN	HD21	5.3
5	ALA	HA	8	ASN	HD22	6
5	ALA	HA	8	ASN	HN	3.7
5	ALA	HN	8	ASN	HN	6
5	ALA	QB	8	ASN	HN	5.7
5	ALA	HA	9	LYS 	HN	4.6
5	ALA	HN	70	ALA	QB	7
6	ILE	HA	6	ILE	HB	3.8
6	ILE	HA	6	ILE	QG1	5.5
6	ILE	HA	6	ILE	QG2	5.5
6	ILE	HB	6	ILE	QD1	4.1
6	ILE	HB	6	ILE	QG1	4.5
6	ILE	HB	6	ILE	QG2	5.2
6	ILE	HN	6	ILE	HA	3.8
6	ILE	HN	6	ILE	HB	3.3
6	ILE	HN	6	ILE	QD1	5.2
6	ILE	HN	6	ILE	QG1	7
6	ILE	HN	6	ILE	QG2	5.4
6	ILE	HA	7	TYR	HN	3.8
6	ILE	HB	7	TYR	HN	3.3
6	ILE	HN	7	TYR	HA	6
6	ILE	HN	7	TYR	HB2	6
6	ILE	HN	7	TYR	HN	2.9
6	ILE	QG2	7	TYR	HN	7
6	ILE	HA	8	ASN	HN	5.1
6	ILE	HN	8	ASN	HN	4.8
6	ILE	HA	9	LYS 	HB3	5.2
6	ILE	HA	9	LYS 	HN	4.4
6	ILE	HN	9	LYS 	HN	4.7
6	ILE	HA	10	ALA	HN	4.4
6	ILE	HA	10	ALA	QB	4.7
6	ILE	QD1	59	CYS 	HB3	7
7	TYR	HA	7	TYR	HB2	5.3
7	TYR	HA	7	TYR	HB3	4.1
7	TYR	HA	7	TYR	QD	7
7	TYR	HB2	7	TYR	QD	8
7	TYR	HB3	7	TYR	QD	8
7	TYR	HN	7	TYR	HA	4
7	TYR	HN	7	TYR	HB2	3.7
7	TYR	HN	7	TYR	HB3	4.2
7	TYR	HN	7	TYR	QD	8
7	TYR	HA	8	ASN	HN	3.8
7	TYR	HB2	8	ASN	HN	3.5
7	TYR	HB3	8	ASN	HN	5.2
7	TYR	HN	8	ASN	HB2	4.8
7	TYR	HN	8	ASN	HB3	5.8
7	TYR	HN	8	ASN	HN	3
7	TYR	HB2	9	LYS 	HN	6
7	TYR	HN	9	LYS 	HN	4.3
7	TYR	HA	10	ALA	HN	4.6
7	TYR	HA	10	ALA	QB	5.4
7	TYR	HN	10	ALA	HN	6
7	TYR	HA	11	CYS 	HN	3.1
7	TYR	HA	12	THR	HN	6
7	TYR	HN	90	HEM	QT2	7
8	ASN	HA	8	ASN	HB2	5.1
8	ASN	HA	8	ASN	HB3	4.6
8	ASN	HA	8	ASN	HD21	6
8	ASN	HA	8	ASN	HD22	6
8	ASN	HB2	8	ASN	HD21	4.5
8	ASN	HB2	8	ASN	HD22	5
8	ASN	HB3	8	ASN	HD21	4.4
8	ASN	HB3	8	ASN	HD22	4.6
8	ASN	HN	8	ASN	HA	3.7
8	ASN	HN	8	ASN	HB2	3.7
8	ASN	HN	8	ASN	HB3	3.2
8	ASN	HN	8	ASN	HD21	5.7
8	ASN	HN	8	ASN	HD22	5.9
8	ASN	HA	9	LYS 	HN	3.9
8	ASN	HB2	9	LYS 	HN	5.3
8	ASN	HB3	9	LYS 	HN	4.1
8	ASN	HD21	9	LYS 	HN	6
8	ASN	HD22	9	LYS 	HN	6
8	ASN	HN	9	LYS 	HA	6
8	ASN	HN	9	LYS 	HB3	5.5
8	ASN	HN	9	LYS 	HN	3.7
8	ASN	HA	10	ALA	HN	4.3
8	ASN	HB3	10	ALA	HN	6
8	ASN	HN	10	ALA	HN	4.8
8	ASN	HA	12	THR	HN	6
8	ASN	HA	12	THR	QG2	4.6
8	ASN	HD21	12	THR	QG2	7
8	ASN	HD22	12	THR	HB	6
8	ASN	HN	12	THR	QG2	7
9	LYS 	HA	9	LYS 	HB2	4.1
9	LYS 	HA	9	LYS 	HB3	4
9	LYS 	HA	9	LYS 	QE	7
9	LYS 	HB2	9	LYS 	QD	5.3
9	LYS 	HB2	9	LYS 	QG	5.8
9	LYS 	HB3	9	LYS 	QD	5
9	LYS 	HB3	9	LYS 	QG	5.3
9	LYS 	HN	9	LYS 	HA	4.3
9	LYS 	HN	9	LYS 	HB2	4.3
9	LYS 	HN	9	LYS 	HB3	4
9	LYS 	HN	9	LYS 	QD	7
9	LYS 	HN	9	LYS 	QE	6
9	LYS 	HN	9	LYS 	QG	6.9
9	LYS 	QD	9	LYS 	QE	7
9	LYS 	QG	9	LYS 	QD	6.6
9	LYS 	HA	10	ALA	HN	5
9	LYS 	HB2	10	ALA	HN	6
9	LYS 	HB3	10	ALA	HN	4.3
9	LYS 	HN	10	ALA	HN	4
9	LYS 	HN	10	ALA	QB	5.6
9	LYS 	QE	10	ALA	HN	6.5
9	LYS 	HN	11	CYS 	HN	6
9	LYS 	HA	12	THR	HB	5.1
9	LYS 	HN	12	THR	QG2	7
10	ALA	HA	10	ALA	QB	3.9
10	ALA	HN	10	ALA	HA	4.5
10	ALA	HN	10	ALA	QB	4.2
10	ALA	HA	11	CYS 	HN	5.8
10	ALA	HN	11	CYS 	HB2	6
10	ALA	HN	11	CYS 	HN	4.4
10	ALA	QB	11	CYS 	HA	6.6
10	ALA	QB	11	CYS 	HN	3.8
10	ALA	HN	12	THR	HN	4.4
10	ALA	HN	12	THR	QG2	6.1
10	ALA	QB	12	THR	HN	5.2
10	ALA	QB	90	HEM	HAM	6.3
10	ALA	QB	90	HEM	HT2A	5.1
10	ALA	QB	90	HEM	QM3	7
10	ALA	QB	90	HEM	QT2	4
10	ALA	QB	58	MET	HB2	7
10	ALA	QB	59	CYS 	HB2	7
10	ALA	QB	59	CYS 	HN	7
11	CYS 	HA	11	CYS 	HB2	5.1
11	CYS 	HA	11	CYS 	HB3	4.3
11	CYS 	HN	11	CYS 	HA	4.8
11	CYS 	HN	11	CYS 	HB2	4.5
11	CYS 	HN	11	CYS 	HB3	4.9
11	CYS 	HA	12	THR	HN	6
11	CYS 	HB2	12	THR	HN	4.5
11	CYS 	HB3	12	THR	HN	5.2
11	CYS 	HN	12	THR	HN	4.6
11	CYS 	HN	12	THR	QG2	7
11	CYS 	HN	13	VAL	HN	6
11	CYS 	HA	90	HEM	HAM	4.1
11	CYS 	HA	15	HIS	HD2	5.8
11	CYS 	HA	90	HEM	HT2A	4.6
11	CYS 	HA	90	HEM	QM3	5.9
11	CYS 	HB3	90	HEM	HAM	6
11	CYS 	HB3	15	HIS	HD2	5.4
11	CYS 	HB3	90	HEM	HT2A	5.6
11	CYS 	HN	90	HEM	HAM	5.4
11	CYS 	HN	90	HEM	HT2A	5.2
11	CYS 	SG	90	HEM	CAB	1.9
11	CYS 	HA	74	MET	QE	7
11	CYS 	HB3	74	MET	QE	5.3
12	THR	HA	12	THR	HB	3.2
12	THR	HA	12	THR	QG2	5.9
12	THR	HB	12	THR	QG2	4.3
12	THR	HN	12	THR	HA	4.1
12	THR	HN	12	THR	HB	3.4
12	THR	HN	12	THR	QG2	4.3
12	THR	HA	13	VAL	HN	5.6
12	THR	HA	13	VAL	QG1	7
12	THR	HB	13	VAL	QG2	7
12	THR	HN	13	VAL	HA	6
12	THR	HN	13	VAL	HB	6
12	THR	HN	13	VAL	HN	4.5
12	THR	HN	13	VAL	QG1	7
12	THR	HN	13	VAL	QG2	7
12	THR	QG2	13	VAL	HA	6.1
12	THR	QG2	13	VAL	HB	7
12	THR	QG2	13	VAL	HN	4.5
12	THR	QG2	13	VAL	QG1	8
12	THR	QG2	13	VAL	QG2	7
12	THR	HA	14	CYS 	HN	5.5
12	THR	QG2	14	CYS 	HN	6.9
12	THR	HA	15	HIS	HN	4.6
12	THR	HA	16	SER	HA	4.7
12	THR	HA	16	SER	HB3	4.5
12	THR	HA	16	SER	HN	3.6
12	THR	QG2	16	SER	HN	7
13	VAL	HA	13	VAL	HB	4.1
13	VAL	HA	13	VAL	QG1	4.7
13	VAL	HA	13	VAL	QG2	5
13	VAL	HB	13	VAL	QG1	4.2
13	VAL	HB	13	VAL	QG2	4.4
13	VAL	HN	13	VAL	HA	4.2
13	VAL	HN	13	VAL	HB	4
13	VAL	HN	13	VAL	QG1	4.6
13	VAL	HN	13	VAL	QG2	4.5
13	VAL	HA	14	CYS 	HN	5.9
13	VAL	HB	14	CYS 	HA	6
13	VAL	HB	14	CYS 	HN	5.8
13	VAL	HN	14	CYS 	HA	6
13	VAL	HN	14	CYS 	HN	4.7
13	VAL	QG1	14	CYS 	HN	5.3
13	VAL	QG2	14	CYS 	HN	5.9
13	VAL	HA	15	HIS	HN	5.9
13	VAL	HB	90	HEM	QM3	6.2
13	VAL	HN	15	HIS	HN	3.6
13	VAL	HN	90	HEM	QM3	6.7
13	VAL	HN	90	HEM	QT4	7
13	VAL	QG1	90	HEM	HT4A	6.7
13	VAL	QG1	90	HEM	QM3	5.8
13	VAL	QG2	90	HEM	HAM	7
13	VAL	QG2	15	HIS	HN	7
13	VAL	QG2	90	HEM	QM3	4.6
13	VAL	QG2	90	HEM	QT4	7
13	VAL	HN	16	SER	HN	4.8
14	CYS 	HA	14	CYS 	HB2	4.5
14	CYS 	HA	14	CYS 	HB3	6
14	CYS 	HN	14	CYS 	HA	4.8
14	CYS 	HN	14	CYS 	HB2	4.8
14	CYS 	HN	14	CYS 	HB3	4.5
14	CYS 	HA	15	HIS	HN	4.5
14	CYS 	HB2	90	HEM	HBM	4.5
14	CYS 	HB2	15	HIS	HN	4.5
14	CYS 	HB2	90	HEM	HT4A	5.2
14	CYS 	HB2	90	HEM	QM5	7
14	CYS 	HB3	90	HEM	HBM	5.2
14	CYS 	HB3	15	HIS	HN	5.2
14	CYS 	HB3	90	HEM	HT4A	5.6
14	CYS 	HB3	90	HEM	QM3	6.6
14	CYS 	HB3	90	HEM	QT4	5.7
14	CYS 	HN	15	HIS	HA	6
14	CYS 	HN	15	HIS	HB2	4.6
14	CYS 	HN	15	HIS	HB3	6
14	CYS 	HN	15	HIS	HN	3.3
14	CYS 	HN	90	HEM	QM3	6.4
14	CYS 	SG	90	HEM	CAC	1.9
14	CYS 	HA	16	SER	HN	5.7
14	CYS 	HB2	16	SER	HN	6
14	CYS 	HN	16	SER	HN	5.1
14	CYS 	HA	17	MET	HN	4.6
14	CYS 	HA	18	GLY	HN	5.3
14	CYS 	HA	19	VAL	HB	4.7
14	CYS 	HA	19	VAL	HN	3.2
14	CYS 	HA	19	VAL	QG2	4.6
14	CYS 	HB2	19	VAL	HN	6
14	CYS 	HB3	19	VAL	HN	4.8
14	CYS 	HB3	20	ALA	HA	6
14	CYS 	HA	22	ALA	QB	6.8
14	CYS 	HB2	22	ALA	QB	5.2
14	CYS 	HB3	22	ALA	QB	5.1
14	CYS 	HN	22	ALA	QB	7
15	HIS	HA	15	HIS	HB2	4.8
15	HIS	HA	15	HIS	HB3	4.1
15	HIS	HA	15	HIS	HD1	4.7
15	HIS	HB2	15	HIS	HD1	5
15	HIS	HB2	15	HIS	HD2	4.9
15	HIS	HB3	15	HIS	HD1	4.7
15	HIS	HB3	15	HIS	HD2	5.5
15	HIS	HD1	15	HIS	HD2	5.3
15	HIS	HD1	15	HIS	HE1	4.9
15	HIS	HD2	15	HIS	HE1	6
15	HIS	HN	15	HIS	HA	4.3
15	HIS	HN	15	HIS	HB2	4
15	HIS	HN	15	HIS	HB3	4.1
15	HIS	HA	16	SER	HN	5.3
15	HIS	HB2	16	SER	HN	5.9
15	HIS	HB3	16	SER	HN	6
15	HIS	HN	16	SER	HB2	6
15	HIS	HN	16	SER	HN	3.9
15	HIS	HN	17	MET	HN	6
15	HIS	HA	18	GLY	HA1	3.9
15	HIS	HA	18	GLY	HA2	4.7
15	HIS	HA	18	GLY	HN	4.1
15	HIS	HN	18	GLY	HN	6
15	HIS	HA	22	ALA	QB	4.9
15	HIS	HB2	22	ALA	QB	6.9
15	HIS	HB3	22	ALA	QB	5.6
15	HIS	HD1	22	ALA	HA	6
15	HIS	HD1	22	ALA	QB	5.3
15	HIS	HE1	22	ALA	HA	6
15	HIS	HE1	22	ALA	QB	7
15	HIS	HN	22	ALA	QB	7
15	HIS	HD1	23	PRO	HB3	6
15	HIS	HD1	23	PRO	HG2	5.9
15	HIS	HD1	23	PRO	QD	7
15	HIS	HE1	23	PRO	HB2	5.2
15	HIS	HE1	23	PRO	HB3	5.3
15	HIS	HE1	23	PRO	HG2	4.1
15	HIS	HE1	23	PRO	QD	6.9
15	HIS	HA	25	SER	HN	4.9
15	HIS	HB3	31	TRP	HZ2	6
15	HIS	HD1	31	TRP	HH2	6
15	HIS	HD1	31	TRP	HZ2	4.8
15	HIS	HE1	31	TRP	HH2	6
15	HIS	HE1	31	TRP	HZ2	5.6
15	HIS	HB2	74	MET	QE	7
15	HIS	HB3	74	MET	QE	6.4
15	HIS	HD1	74	MET	QE	6.7
16	SER	HA	16	SER	HB3	3.8
16	SER	HN	16	SER	HA	3.4
16	SER	HN	16	SER	HB2	4.2
16	SER	HN	16	SER	HB3	4.5
16	SER	HA	17	MET	HN	4.7
16	SER	HB3	17	MET	HN	5.1
16	SER	HN	17	MET	HN	4.1
16	SER	HN	18	GLY	HN	3.6
16	SER	HN	19	VAL	QG2	7
16	SER	HA	25	SER	HN	5.2
17	MET	HA	17	MET	HB2	5.3
17	MET	HA	17	MET	HB3	4.6
17	MET	HA	17	MET	HG3	5.9
17	MET	HB2	17	MET	HG3	3.9
17	MET	HB3	17	MET	HG2	4.6
17	MET	HB3	17	MET	HG3	4.6
17	MET	HN	17	MET	HA	4.2
17	MET	HN	17	MET	HB2	4.7
17	MET	HN	17	MET	HB3	4.4
17	MET	HN	17	MET	HG2	5.8
17	MET	HN	17	MET	HG3	5.5
17	MET	HA	18	GLY	HA2	6
17	MET	HA	18	GLY	HN	4.8
17	MET	HB2	18	GLY	HN	5.3
17	MET	HB3	18	GLY	HN	5.4
17	MET	HG3	18	GLY	HN	6
17	MET	HN	18	GLY	HA1	6
17	MET	HN	18	GLY	HA2	6
17	MET	HN	18	GLY	HN	2.7
17	MET	HA	19	VAL	QG2	7
17	MET	HB2	19	VAL	HN	4.4
17	MET	HB2	19	VAL	QG2	6.1
17	MET	HB3	19	VAL	HN	6
17	MET	HG2	19	VAL	HN	5.7
17	MET	HG2	19	VAL	QG2	6.9
17	MET	HN	19	VAL	QG2	6.7
18	GLY	HN	18	GLY	HA1	3.5
18	GLY	HN	18	GLY	HA2	3.5
18	GLY	HA1	19	VAL	HN	3.1
18	GLY	HA2	19	VAL	HN	3.6
18	GLY	HN	19	VAL	HB	5.2
18	GLY	HN	19	VAL	HN	4
18	GLY	HN	19	VAL	QG1	7
18	GLY	HN	19	VAL	QG2	5.8
18	GLY	HA1	22	ALA	HN	4.6
18	GLY	HA1	22	ALA	QB	4.7
18	GLY	HA2	22	ALA	HN	5.4
18	GLY	HN	22	ALA	QB	5.1
19	VAL	HA	19	VAL	HB	4.6
19	VAL	HA	19	VAL	QG1	5.6
19	VAL	HA	19	VAL	QG2	6.2
19	VAL	HB	19	VAL	QG1	6
19	VAL	HB	19	VAL	QG2	5.5
19	VAL	HN	19	VAL	HA	3.9
19	VAL	HN	19	VAL	HB	3
19	VAL	HN	19	VAL	QG1	5.2
19	VAL	HN	19	VAL	QG2	4.3
19	VAL	HA	20	ALA	HA	5.4
19	VAL	HA	20	ALA	HN	3.5
19	VAL	HA	20	ALA	QB	5.8
19	VAL	HB	20	ALA	HN	4.8
19	VAL	HB	20	ALA	QB	6.5
19	VAL	HN	20	ALA	HN	4.5
19	VAL	HN	20	ALA	QB	7
19	VAL	QG1	20	ALA	HN	4.7
19	VAL	QG1	20	ALA	QB	5.6
19	VAL	QG2	20	ALA	HN	5.4
19	VAL	QG2	20	ALA	QB	7
19	VAL	HA	21	GLY	HN	3.5
19	VAL	HN	21	GLY	HN	4.7
19	VAL	HA	22	ALA	HN	5.5
19	VAL	HB	22	ALA	HN	6
19	VAL	HB	22	ALA	QB	7
19	VAL	HN	22	ALA	HA	6
19	VAL	HN	22	ALA	HN	6
19	VAL	HN	22	ALA	QB	4.3
19	VAL	QG1	22	ALA	HN	7
19	VAL	QG2	22	ALA	HN	7
19	VAL	QG2	22	ALA	QB	8
20	ALA	HA	20	ALA	QB	3.5
20	ALA	HN	20	ALA	HA	3.5
20	ALA	HN	20	ALA	QB	4.3
20	ALA	HA	21	GLY	HN	4
20	ALA	HN	21	GLY	HA2	6
20	ALA	HN	21	GLY	HN	2.9
20	ALA	QB	21	GLY	HN	4.3
20	ALA	HA	22	ALA	HN	6
20	ALA	HN	22	ALA	HN	5.3
20	ALA	QB	22	ALA	HN	5.2
20	ALA	QB	22	ALA	QB	7.2
20	ALA	HA	52	ALA	QB	7
20	ALA	QB	52	ALA	QB	4.4
21	GLY	HN	21	GLY	HA1	3.7
21	GLY	HN	21	GLY	HA2	3.5
21	GLY	HA1	22	ALA	HN	4.5
21	GLY	HA2	22	ALA	HN	3.8
21	GLY	HN	22	ALA	HN	3.2
21	GLY	HN	22	ALA	QB	5.4
22	ALA	HA	22	ALA	QB	3.8
22	ALA	HN	22	ALA	HA	4
22	ALA	HN	22	ALA	QB	3.9
22	ALA	HA	23	PRO	HB3	6
22	ALA	QB	23	PRO	HA	5.6
22	ALA	QB	23	PRO	HB2	7
22	ALA	QB	23	PRO	HG2	7
22	ALA	QB	23	PRO	QD	6.9
22	ALA	QB	24	LYS 	HA	7
22	ALA	HN	52	ALA	QB	7
22	ALA	QB	78	LYS 	QD	8
23	PRO	HA	23	PRO	HB2	3.7
23	PRO	HA	23	PRO	HB3	4.1
23	PRO	HA	23	PRO	HG2	5.5
23	PRO	HA	23	PRO	HG3	6
23	PRO	HB2	23	PRO	HG3	4.8
23	PRO	HB2	23	PRO	QD	7
23	PRO	HB3	23	PRO	HG2	4.7
23	PRO	HB3	23	PRO	HG3	4.6
23	PRO	HB3	23	PRO	QD	7
23	PRO	HG2	23	PRO	QD	6.8
23	PRO	HG3	23	PRO	QD	6.5
23	PRO	HA	24	LYS 	HB2	6
23	PRO	HA	24	LYS 	HB3	6
23	PRO	HA	24	LYS 	HN	3.6
23	PRO	HB3	24	LYS 	HN	5.2
23	PRO	HA	30	ASP 	HB2	4.7
23	PRO	HA	30	ASP 	HB3	5.1
23	PRO	HB3	31	TRP	HD1	6
24	LYS 	HA	24	LYS 	HB2	6
24	LYS 	HA	24	LYS 	HB3	4.1
24	LYS 	HA	24	LYS 	QD	7
24	LYS 	HA	24	LYS 	QG	6.6
24	LYS 	HB2	24	LYS 	QG	5.1
24	LYS 	HB3	24	LYS 	QG	7
24	LYS 	HN	24	LYS 	HA	4.8
24	LYS 	HN	24	LYS 	HB2	3.9
24	LYS 	HN	24	LYS 	HB3	4.3
24	LYS 	HN	24	LYS 	QD	6
24	LYS 	HN	24	LYS 	QG	7
24	LYS 	QG	24	LYS 	QD	7.8
24	LYS 	HA	25	SER	HA	6
24	LYS 	HA	25	SER	HN	3
24	LYS 	HB2	25	SER	HN	4.4
24	LYS 	HB3	25	SER	HN	3.9
24	LYS 	HN	25	SER	HN	5.4
24	LYS 	QD	25	SER	HN	7
24	LYS 	QG	25	SER	HN	6.8
24	LYS 	HB2	27	ASN	HD21	4.7
24	LYS 	HB2	27	ASN	HD22	4.6
24	LYS 	HB3	27	ASN	HB3	6
24	LYS 	HN	30	ASP 	HB2	5
24	LYS 	HN	30	ASP 	HB3	5.1
24	LYS 	HN	30	ASP 	HN	6
25	SER	HA	25	SER	HB2	4.7
25	SER	HA	25	SER	HB3	4.8
25	SER	HN	25	SER	HA	3.9
25	SER	HN	25	SER	HB2	3.7
25	SER	HN	25	SER	HB3	4.7
25	SER	HA	26	HIS	HN	3.7
25	SER	HB2	26	HIS	HN	4.7
25	SER	HB3	26	HIS	HN	6
25	SER	HN	26	HIS	HN	5.6
25	SER	HA	27	ASN	HN	6
25	SER	HA	74	MET	HB3	5.4
25	SER	HB2	74	MET	HG2	6
26	HIS	HA	26	HIS	HB2	4.5
26	HIS	HA	26	HIS	HB3	4.8
26	HIS	HA	26	HIS	HD2	6
26	HIS	HB2	26	HIS	HD2	5
26	HIS	HB3	26	HIS	HD2	4.6
26	HIS	HN	26	HIS	HA	3.5
26	HIS	HN	26	HIS	HB2	5.2
26	HIS	HN	26	HIS	HB3	4.9
26	HIS	HN	26	HIS	HD2	6
26	HIS	HA	27	ASN	HN	4.1
26	HIS	HB2	27	ASN	HN	6
26	HIS	HB3	27	ASN	HN	5.9
26	HIS	HN	27	ASN	HN	4
26	HIS	HA	31	TRP	HD1	6
26	HIS	HN	31	TRP	HD1	6
26	HIS	HN	31	TRP	HZ2	6
26	HIS	HN	74	MET	HB3	6
26	HIS	HN	74	MET	HG2	6
27	ASN	HA	27	ASN	HB2	4.8
27	ASN	HA	27	ASN	HB3	5
27	ASN	HA	27	ASN	HD21	6
27	ASN	HA	27	ASN	HD22	6
27	ASN	HB2	27	ASN	HD21	4.3
27	ASN	HB2	27	ASN	HD22	4.7
27	ASN	HB3	27	ASN	HD21	5
27	ASN	HB3	27	ASN	HD22	5.5
27	ASN	HN	27	ASN	HA	4.1
27	ASN	HN	27	ASN	HB2	3.6
27	ASN	HN	27	ASN	HB3	3.5
27	ASN	HN	27	ASN	HD21	6
27	ASN	HN	27	ASN	HD22	6
27	ASN	HA	28	THR	HA	6
27	ASN	HA	28	THR	HN	4.2
27	ASN	HB2	28	THR	HN	4.8
27	ASN	HB3	28	THR	HN	5.3
27	ASN	HN	28	THR	HA	6
27	ASN	HN	28	THR	HN	5.1
27	ASN	HA	29	ALA	HN	4.9
27	ASN	HB3	29	ALA	HN	6
27	ASN	HB3	29	ALA	QB	5.6
27	ASN	HD21	29	ALA	HN	6
27	ASN	HD22	29	ALA	HN	6
27	ASN	HN	29	ALA	HN	6
27	ASN	HA	30	ASP 	HN	6
27	ASN	HB2	30	ASP 	HN	5.6
27	ASN	HB3	30	ASP 	HB2	4.7
27	ASN	HB3	30	ASP 	HN	5.3
27	ASN	HD21	30	ASP 	HB2	6
27	ASN	HD21	30	ASP 	HB3	6
27	ASN	HD21	30	ASP 	HN	5.6
27	ASN	HD22	30	ASP 	HB2	6
27	ASN	HD22	30	ASP 	HB3	6
27	ASN	HD22	30	ASP 	HN	6
27	ASN	HN	30	ASP 	HB2	6
27	ASN	HB2	31	TRP	HD1	6
27	ASN	HB2	31	TRP	HN	4.8
27	ASN	HB3	31	TRP	HD1	6
27	ASN	HD21	31	TRP	HN	6
27	ASN	HN	31	TRP	HB2	6
27	ASN	HD22	78	LYS 	QG	7
28	THR	HA	28	THR	HB	4.8
28	THR	HA	28	THR	QG2	5.1
28	THR	HB	28	THR	QG2	4.2
28	THR	HN	28	THR	HA	4.2
28	THR	HN	28	THR	HB	4.2
28	THR	HN	28	THR	QG2	4.6
28	THR	HA	29	ALA	HN	4.6
28	THR	HN	29	ALA	HN	3.7
28	THR	HN	29	ALA	QB	6.2
28	THR	QG2	29	ALA	HN	5.5
28	THR	HA	30	ASP 	HN	6
28	THR	HN	30	ASP 	HN	6
28	THR	HA	31	TRP	HB2	3.9
28	THR	HA	31	TRP	HB3	4.9
28	THR	HA	31	TRP	HD1	6
28	THR	HA	31	TRP	HN	3.8
28	THR	QG2	31	TRP	HN	7
28	THR	HA	32	GLU 	HN	5.4
28	THR	QG2	32	GLU 	HB2	7
28	THR	QG2	32	GLU 	HN	6.5
29	ALA	HA	29	ALA	QB	3.5
29	ALA	HN	29	ALA	HA	3.3
29	ALA	HN	29	ALA	QB	3.5
29	ALA	HA	30	ASP 	HN	4.6
29	ALA	HN	30	ASP 	HB2	6
29	ALA	HN	30	ASP 	HN	3.2
29	ALA	QB	30	ASP 	HA	5.8
29	ALA	QB	30	ASP 	HN	4
29	ALA	HN	31	TRP	HN	4.8
29	ALA	QB	31	TRP	HN	5.8
29	ALA	QB	32	GLU 	HN	5.5
30	ASP 	HA	30	ASP 	HB2	5.8
30	ASP 	HA	30	ASP 	HB3	3.8
30	ASP 	HN	30	ASP 	HA	3.4
30	ASP 	HN	30	ASP 	HB2	3.4
30	ASP 	HN	30	ASP 	HB3	3.8
30	ASP 	HA	31	TRP	HN	4
30	ASP 	HB2	31	TRP	HN	4.1
30	ASP 	HB3	31	TRP	HN	4.5
30	ASP 	HN	31	TRP	HA	5.6
30	ASP 	HN	31	TRP	HB2	4.3
30	ASP 	HN	31	TRP	HD1	6
30	ASP 	HN	31	TRP	HN	3.1
30	ASP 	HB2	32	GLU 	HN	6
30	ASP 	HB3	32	GLU 	HN	5.2
30	ASP 	HN	32	GLU 	HN	4.1
31	TRP	HA	31	TRP	HB2	6
31	TRP	HA	31	TRP	HB3	5
31	TRP	HB2	31	TRP	HD1	5.8
31	TRP	HB3	31	TRP	HD1	5.8
31	TRP	HB3	31	TRP	HE3	4.6
31	TRP	HD1	31	TRP	HZ2	6
31	TRP	HE1	31	TRP	HZ2	6
31	TRP	HE3	31	TRP	HH2	5.9
31	TRP	HE3	31	TRP	HZ3	3.9
31	TRP	HN	31	TRP	HA	3.9
31	TRP	HN	31	TRP	HB2	3.5
31	TRP	HN	31	TRP	HB3	3.8
31	TRP	HZ2	31	TRP	HH2	4.9
31	TRP	HZ3	31	TRP	HH2	4.2
31	TRP	HZ3	31	TRP	HZ2	5.7
31	TRP	HA	32	GLU 	HN	4.7
31	TRP	HB2	32	GLU 	HN	4.5
31	TRP	HB3	32	GLU 	HN	5
31	TRP	HD1	32	GLU 	HN	6
31	TRP	HN	32	GLU 	HB2	6
31	TRP	HN	32	GLU 	HB3	6
31	TRP	HN	32	GLU 	HN	3.3
31	TRP	HA	34	ARG 	HB2	4.3
31	TRP	HA	34	ARG 	HB3	4.9
31	TRP	HA	34	ARG 	HN	4
31	TRP	HB2	34	ARG 	HB3	6
31	TRP	HN	34	ARG 	HB2	6
31	TRP	HN	34	ARG 	HN	6
31	TRP	HZ3	34	ARG 	HB3	6
31	TRP	HA	35	LEU	QD1	7
31	TRP	HB3	35	LEU	QD1	5.9
31	TRP	HB3	35	LEU	QD2	6.9
31	TRP	HE3	35	LEU	HB2	6
31	TRP	HE3	35	LEU	HN	6
31	TRP	HE3	42	LEU	QD1	6.4
31	TRP	HH2	71	ILE	QG1	7
31	TRP	HZ3	71	ILE	QG1	7
31	TRP	HD1	74	MET	HB3	6
31	TRP	HH2	74	MET	QE	4.9
31	TRP	HZ2	74	MET	HA	6
31	TRP	HZ2	74	MET	HB2	6
31	TRP	HZ2	74	MET	HB3	6
31	TRP	HZ3	74	MET	QE	7
31	TRP	HB3	75	SER	HB2	6
31	TRP	HB3	75	SER	HB3	6
31	TRP	HD1	75	SER	HB2	5.5
31	TRP	HE3	78	LYS 	HA	6
31	TRP	HE3	78	LYS 	QE	7
31	TRP	HZ3	78	LYS 	HB3	5.5
32	GLU 	HA	32	GLU 	HB2	3.8
32	GLU 	HA	32	GLU 	HB3	4.5
32	GLU 	HA	32	GLU 	HG3	6
32	GLU 	HB2	32	GLU 	HG2	5.2
32	GLU 	HB2	32	GLU 	HG3	4.1
32	GLU 	HB3	32	GLU 	HG2	4.8
32	GLU 	HB3	32	GLU 	HG3	4
32	GLU 	HN	32	GLU 	HA	3.3
32	GLU 	HN	32	GLU 	HB2	5.1
32	GLU 	HN	32	GLU 	HB3	4.4
32	GLU 	HN	32	GLU 	HG2	4.5
32	GLU 	HN	32	GLU 	HG3	4.6
32	GLU 	HN	33	PRO	HD2	6
32	GLU 	HA	34	ARG 	HN	4.6
32	GLU 	HN	34	ARG 	HB2	5.2
32	GLU 	HN	34	ARG 	HN	6
32	GLU 	HA	35	LEU	HB2	3.8
32	GLU 	HA	35	LEU	HB3	4.3
32	GLU 	HA	35	LEU	HN	6
32	GLU 	HN	35	LEU	HN	5.9
33	PRO	HA	33	PRO	HD2	6
33	PRO	HA	34	ARG 	HN	4.8
33	PRO	HD2	34	ARG 	HN	4.4
33	PRO	HA	35	LEU	HN	5.6
33	PRO	HD2	35	LEU	HN	6
33	PRO	HA	36	ALA	HN	4.1
33	PRO	HA	36	ALA	QB	4
34	ARG 	HA	34	ARG 	HB3	4.3
34	ARG 	HA	34	ARG 	QG	6.6
34	ARG 	HN	34	ARG 	HA	3.9
34	ARG 	HN	34	ARG 	HB2	3.5
34	ARG 	HN	34	ARG 	HB3	3.8
34	ARG 	HN	34	ARG 	QD	7
34	ARG 	HN	34	ARG 	QG	5.5
34	ARG 	HA	35	LEU	HN	4.8
34	ARG 	HB2	35	LEU	HN	3.9
34	ARG 	HB3	35	LEU	HA	6
34	ARG 	HB3	35	LEU	HN	4.2
34	ARG 	HN	35	LEU	HB2	5.6
34	ARG 	HN	35	LEU	HB3	5.7
34	ARG 	HN	35	LEU	HN	3.2
34	ARG 	HN	35	LEU	QD1	6.8
34	ARG 	QD	35	LEU	HN	7
34	ARG 	QG	35	LEU	HN	6.9
34	ARG 	HA	36	ALA	HN	4.5
34	ARG 	HN	36	ALA	HN	3.9
34	ARG 	HA	37	LYS 	HN	6
34	ARG 	HN	37	LYS 	HN	6
34	ARG 	HB3	41	ASN	HD22	6
34	ARG 	HB3	42	LEU	QD1	6.9
34	ARG 	HN	42	LEU	QD1	4.9
34	ARG 	HN	77	ALA	QB	7
35	LEU	HA	35	LEU	HB2	4.2
35	LEU	HA	35	LEU	HB3	4
35	LEU	HA	35	LEU	HG	5.3
35	LEU	HA	35	LEU	QD1	6.6
35	LEU	HA	35	LEU	QD2	4.4
35	LEU	HB2	35	LEU	QD1	5.5
35	LEU	HB2	35	LEU	QD2	4
35	LEU	HB3	35	LEU	QD1	5.6
35	LEU	HB3	35	LEU	QD2	4.2
35	LEU	HG	35	LEU	QD1	3.6
35	LEU	HG	35	LEU	QD2	4.9
35	LEU	HN	35	LEU	HA	3.9
35	LEU	HN	35	LEU	HB2	3.9
35	LEU	HN	35	LEU	HB3	3.1
35	LEU	HN	35	LEU	HG	6
35	LEU	HN	35	LEU	QD1	5.5
35	LEU	HN	35	LEU	QD2	5.7
35	LEU	HA	36	ALA	HN	4.2
35	LEU	HA	36	ALA	QB	6.9
35	LEU	HB2	36	ALA	HN	5.2
35	LEU	HB3	36	ALA	HN	3.7
35	LEU	HG	36	ALA	HN	5.4
35	LEU	HN	36	ALA	HA	5.3
35	LEU	HN	36	ALA	HN	3.5
35	LEU	HN	36	ALA	QB	5.9
35	LEU	QD1	36	ALA	HN	6.4
35	LEU	QD2	36	ALA	HN	6.8
35	LEU	HA	37	LYS 	HN	4.7
35	LEU	HB2	37	LYS 	HN	6
35	LEU	HB3	37	LYS 	HN	5.9
35	LEU	HN	37	LYS 	HN	6
35	LEU	HA	38	GLY	HA2	6
35	LEU	HA	38	GLY	HN	4
35	LEU	HB2	38	GLY	HN	6
35	LEU	QD2	38	GLY	HN	7
35	LEU	QD2	39	VAL	QG1	6.2
35	LEU	QD2	39	VAL	QG2	7.3
35	LEU	QD1	75	SER	HB3	5.7
35	LEU	HG	76	LYS 	HN	6
36	ALA	HA	36	ALA	QB	3.4
36	ALA	HN	36	ALA	HA	3.7
36	ALA	HN	36	ALA	QB	3.6
36	ALA	HA	37	LYS 	HN	5.1
36	ALA	HN	37	LYS 	HA	4.8
36	ALA	HN	37	LYS 	HB2	5.3
36	ALA	HN	37	LYS 	HN	3.6
36	ALA	QB	37	LYS 	HA	6.4
36	ALA	QB	37	LYS 	HB2	6.8
36	ALA	QB	37	LYS 	HN	4.5
36	ALA	HA	38	GLY	HN	6
36	ALA	HN	38	GLY	HN	4.9
36	ALA	HN	41	ASN	HD21	6
36	ALA	HN	41	ASN	HD22	6
37	LYS 	HA	37	LYS 	HB2	4.4
37	LYS 	HN	37	LYS 	HA	4.3
37	LYS 	HN	37	LYS 	HB2	4
37	LYS 	HN	37	LYS 	HB3	4.4
37	LYS 	HN	37	LYS 	QD	5.6
37	LYS 	HN	37	LYS 	QE	7
37	LYS 	HN	37	LYS 	QG	6.5
37	LYS 	HA	38	GLY	HN	4.1
37	LYS 	HB2	38	GLY	HN	4.1
37	LYS 	HB3	38	GLY	HN	4.5
37	LYS 	HN	38	GLY	HA1	6
37	LYS 	HN	38	GLY	HA2	6
37	LYS 	HN	38	GLY	HN	3
37	LYS 	QD	38	GLY	HN	7
37	LYS 	QE	38	GLY	HN	7
37	LYS 	QG	38	GLY	HN	7
37	LYS 	HA	41	ASN	HD21	6
37	LYS 	HB2	41	ASN	HB3	6
37	LYS 	HB2	41	ASN	HD21	6
37	LYS 	HB2	41	ASN	HD22	5.8
37	LYS 	HB3	41	ASN	HB2	3.5
37	LYS 	HB3	41	ASN	HB3	6
37	LYS 	HB3	41	ASN	HD21	5.8
37	LYS 	HB3	41	ASN	HD22	5.6
37	LYS 	QD	41	ASN	HD21	7
37	LYS 	QD	41	ASN	HD22	7
37	LYS 	QG	41	ASN	HD22	7
38	GLY	HN	38	GLY	HA1	3.5
38	GLY	HN	38	GLY	HA2	3.2
38	GLY	HA1	39	VAL	HN	3.2
38	GLY	HA2	39	VAL	HB	5.2
38	GLY	HA2	39	VAL	HN	3.7
38	GLY	HN	39	VAL	HA	6
38	GLY	HN	39	VAL	HN	4.8
38	GLY	HA2	41	ASN	HD21	6
38	GLY	HN	41	ASN	HB3	5.6
38	GLY	HN	41	ASN	HD21	5.8
38	GLY	HN	41	ASN	HD22	6
39	VAL	HA	39	VAL	HB	3.8
39	VAL	HA	39	VAL	QG1	5.2
39	VAL	HA	39	VAL	QG2	4.8
39	VAL	HB	39	VAL	QG1	4.9
39	VAL	HB	39	VAL	QG2	4.8
39	VAL	HN	39	VAL	HA	4.1
39	VAL	HN	39	VAL	HB	3.7
39	VAL	HN	39	VAL	QG1	5.2
39	VAL	HN	39	VAL	QG2	6.6
39	VAL	HA	40	ASP 	HA	6
39	VAL	HA	40	ASP 	HN	4.5
39	VAL	HB	40	ASP 	HB2	6
39	VAL	HB	40	ASP 	HN	3.9
39	VAL	HN	40	ASP 	HB3	6
39	VAL	HN	40	ASP 	HN	4.4
39	VAL	QG1	40	ASP 	HN	6.1
39	VAL	QG2	40	ASP 	HN	5.1
39	VAL	HA	41	ASN	HN	5.4
39	VAL	HB	41	ASN	HN	6
39	VAL	HN	41	ASN	HN	6
39	VAL	QG1	41	ASN	HN	5.8
39	VAL	QG2	41	ASN	HN	7
39	VAL	HA	42	LEU	HB2	4.6
39	VAL	HA	42	LEU	HN	6
39	VAL	HB	42	LEU	HN	6
39	VAL	HN	42	LEU	HN	6
39	VAL	HA	43	VAL	HN	5.1
39	VAL	QG1	72	GLU 	HN	6.3
40	ASP 	HA	40	ASP 	HB2	4.5
40	ASP 	HA	40	ASP 	HB3	6
40	ASP 	HN	40	ASP 	HA	3.7
40	ASP 	HN	40	ASP 	HB2	4.6
40	ASP 	HN	40	ASP 	HB3	4.3
40	ASP 	HA	41	ASN	HN	4.4
40	ASP 	HB2	41	ASN	HN	4.8
40	ASP 	HB3	41	ASN	HN	3.9
40	ASP 	HN	41	ASN	HA	6
40	ASP 	HN	41	ASN	HB2	6
40	ASP 	HN	41	ASN	HN	3.6
40	ASP 	HN	42	LEU	HN	5.2
40	ASP 	HA	43	VAL	HB	3.7
40	ASP 	HB3	43	VAL	HN	4.9
40	ASP 	HB3	43	VAL	QG1	7
40	ASP 	HN	43	VAL	HN	6
41	ASN	HA	41	ASN	HB2	5.2
41	ASN	HA	41	ASN	HB3	5
41	ASN	HA	41	ASN	HD21	6
41	ASN	HA	41	ASN	HD22	6
41	ASN	HB2	41	ASN	HD21	4
41	ASN	HB2	41	ASN	HD22	4.6
41	ASN	HB3	41	ASN	HD21	4.6
41	ASN	HB3	41	ASN	HD22	5.3
41	ASN	HN	41	ASN	HA	3.7
41	ASN	HN	41	ASN	HB2	5.5
41	ASN	HN	41	ASN	HB3	3.7
41	ASN	HN	41	ASN	HD21	5.3
41	ASN	HN	41	ASN	HD22	5.8
41	ASN	HA	42	LEU	HN	4.6
41	ASN	HB2	42	LEU	HN	4.7
41	ASN	HB3	42	LEU	HN	5.4
41	ASN	HN	42	LEU	HB2	6
41	ASN	HN	42	LEU	HN	3.2
41	ASN	HA	43	VAL	HN	6
41	ASN	HN	43	VAL	HN	5.3
41	ASN	HA	44	LYS 	HA	6
41	ASN	HA	44	LYS 	HN	3.9
41	ASN	HN	44	LYS 	HE3	6
41	ASN	HN	44	LYS 	HN	6
41	ASN	HA	45	SER	HN	5.4
41	ASN	HB2	45	SER	HN	6
42	LEU	HA	42	LEU	HB2	4
42	LEU	HA	42	LEU	HB3	4.4
42	LEU	HA	42	LEU	HG	4.2
42	LEU	HA	42	LEU	QD1	4.4
42	LEU	HA	42	LEU	QD2	6.3
42	LEU	HB2	42	LEU	HG	4.5
42	LEU	HB3	42	LEU	HG	3.4
42	LEU	HB3	42	LEU	QD1	4.9
42	LEU	HG	42	LEU	QD1	4.7
42	LEU	HG	42	LEU	QD2	4.8
42	LEU	HN	42	LEU	HA	3.7
42	LEU	HN	42	LEU	HB2	3.4
42	LEU	HN	42	LEU	HB3	4.1
42	LEU	HN	42	LEU	HG	4.9
42	LEU	HN	42	LEU	QD1	5.3
42	LEU	HN	42	LEU	QD2	5.3
42	LEU	HA	43	VAL	HN	3.9
42	LEU	HB2	43	VAL	HN	6
42	LEU	HN	43	VAL	HA	5.4
42	LEU	HN	43	VAL	HB	4.5
42	LEU	HN	43	VAL	HN	3.4
42	LEU	HN	43	VAL	QG1	6.4
42	LEU	HN	43	VAL	QG2	6.8
42	LEU	HA	44	LYS 	HN	4.4
42	LEU	HN	44	LYS 	HN	5
42	LEU	HA	45	SER	HN	5.2
42	LEU	HN	45	SER	HN	6
42	LEU	HA	46	VAL	HN	6
42	LEU	HB2	46	VAL	QG2	7
42	LEU	HN	46	VAL	HN	6
42	LEU	HB2	71	ILE	QG1	7
43	VAL	HA	43	VAL	HB	4.4
43	VAL	HA	43	VAL	QG1	5.7
43	VAL	HA	43	VAL	QG2	4.7
43	VAL	HB	43	VAL	QG2	4.6
43	VAL	HN	43	VAL	HA	3.5
43	VAL	HN	43	VAL	HB	3.1
43	VAL	HN	43	VAL	QG1	4
43	VAL	HN	43	VAL	QG2	5.1
43	VAL	HA	44	LYS 	HN	5.6
43	VAL	HB	44	LYS 	HN	3.9
43	VAL	HN	44	LYS 	HN	3.7
43	VAL	HN	44	LYS 	QD	6.6
43	VAL	HN	44	LYS 	QG	5.7
43	VAL	QG1	44	LYS 	HA	6.6
43	VAL	QG1	44	LYS 	HN	5.9
43	VAL	QG2	44	LYS 	HA	5.8
43	VAL	QG2	44	LYS 	HN	5.4
43	VAL	HA	45	SER	HN	6
43	VAL	HB	45	SER	HN	6
43	VAL	HN	45	SER	HN	5.1
43	VAL	QG1	45	SER	HN	7
43	VAL	QG2	45	SER	HN	7
43	VAL	HA	46	VAL	HB	3.7
43	VAL	HA	46	VAL	HN	4.3
43	VAL	HA	46	VAL	QG1	4.5
43	VAL	HA	46	VAL	QG2	5.3
43	VAL	HN	46	VAL	QG1	7
43	VAL	HN	46	VAL	QG2	7
43	VAL	QG1	46	VAL	HN	6.2
43	VAL	QG1	46	VAL	QG1	8
43	VAL	QG2	46	VAL	HN	6.6
43	VAL	QG2	46	VAL	QG1	7.8
43	VAL	QG2	46	VAL	QG2	7.7
43	VAL	HA	47	LYS 	HN	4.3
43	VAL	QG2	47	LYS 	HN	6.8
43	VAL	HA	53	MET	QE	7
43	VAL	QG2	64	ASP 	HB3	6.3
43	VAL	QG2	64	ASP 	HN	6.8
43	VAL	HB	67	TYR	HB2	5.9
43	VAL	HN	67	TYR	QD	8
43	VAL	QG1	67	TYR	HB3	7
43	VAL	QG1	67	TYR	QD	9
43	VAL	QG2	67	TYR	HN	5.5
43	VAL	QG2	67	TYR	QD	7.4
43	VAL	QG2	67	TYR	QE	9
43	VAL	HA	68	LYS 	HA	6
43	VAL	QG2	69	ALA	HN	7
43	VAL	HN	71	ILE	QG1	7
44	LYS 	HA	44	LYS 	QB	5.4
44	LYS 	HA	44	LYS 	QD	7
44	LYS 	HA	44	LYS 	QE	7
44	LYS 	HA	44	LYS 	QG	6.1
44	LYS 	HN	44	LYS 	HA	3.9
44	LYS 	HN	44	LYS 	QB	4.3
44	LYS 	HN	44	LYS 	QD	6.3
44	LYS 	HN	44	LYS 	QE	7
44	LYS 	HN	44	LYS 	QG	7
44	LYS 	QB	44	LYS 	QD	6.5
44	LYS 	QB	44	LYS 	QE	7
44	LYS 	QB	44	LYS 	QG	7.9
44	LYS 	QD	44	LYS 	QE	5.3
44	LYS 	QG	44	LYS 	QD	5.6
44	LYS 	QG	44	LYS 	QE	6.7
44	LYS 	HA	45	SER	HN	4.3
44	LYS 	HN	45	SER	HN	3.6
44	LYS 	QB	45	SER	HN	4.8
44	LYS 	QD	45	SER	HN	7
44	LYS 	QE	45	SER	HN	7
44	LYS 	QG	45	SER	HN	7
44	LYS 	HA	46	VAL	HN	5.4
44	LYS 	HE3	46	VAL	HN	6
44	LYS 	HN	46	VAL	HB	6
44	LYS 	HN	46	VAL	HN	5.7
44	LYS 	HN	46	VAL	QG2	7
44	LYS 	HA	47	LYS 	HB3	3.6
44	LYS 	HA	47	LYS 	HN	3.6
44	LYS 	HE3	47	LYS 	HN	6
44	LYS 	HN	47	LYS 	HN	5.1
44	LYS 	HA	48	THR	HN	4.5
44	LYS 	QB	48	THR	HN	7
45	SER	HA	45	SER	HB2	4.7
45	SER	HA	45	SER	HB3	4.2
45	SER	HN	45	SER	HA	3.5
45	SER	HN	45	SER	HB2	3.4
45	SER	HN	45	SER	HB3	4
45	SER	HA	46	VAL	HN	4.6
45	SER	HB2	46	VAL	HB	6
45	SER	HB2	46	VAL	HN	3.9
45	SER	HN	46	VAL	HA	5
45	SER	HN	46	VAL	HB	5
45	SER	HN	46	VAL	HN	3.6
45	SER	HN	46	VAL	QG1	7
45	SER	HN	46	VAL	QG2	7
45	SER	HA	47	LYS 	HN	6
45	SER	HN	47	LYS 	HN	4.5
45	SER	HA	48	THR	HN	4
45	SER	HA	48	THR	QG2	6.9
45	SER	HB2	48	THR	QG2	7
45	SER	HN	48	THR	QG2	7
45	SER	HA	49	GLY	HN	6
45	SER	HB2	49	GLY	HN	6
45	SER	HB3	50	LEU	HB3	6
45	SER	HB3	50	LEU	QD2	6.3
45	SER	HA	53	MET	QE	7
45	SER	HB2	53	MET	QE	7
45	SER	HN	53	MET	QE	7
46	VAL	HA	46	VAL	HB	4
46	VAL	HA	46	VAL	QG1	4.9
46	VAL	HA	46	VAL	QG2	4.8
46	VAL	HB	46	VAL	QG1	4.5
46	VAL	HB	46	VAL	QG2	4.4
46	VAL	HN	46	VAL	HA	3.7
46	VAL	HN	46	VAL	HB	3.6
46	VAL	HN	46	VAL	QG1	4.7
46	VAL	HN	46	VAL	QG2	4.6
46	VAL	HA	47	LYS 	HN	4.8
46	VAL	HB	47	LYS 	HN	4.2
46	VAL	HN	47	LYS 	HA	6
46	VAL	HN	47	LYS 	HB3	4.8
46	VAL	HN	47	LYS 	HN	3.4
46	VAL	HN	47	LYS 	QD	7
46	VAL	QG1	47	LYS 	HA	6.1
46	VAL	QG1	47	LYS 	HN	5.3
46	VAL	QG1	47	LYS 	QD	6.7
46	VAL	QG2	47	LYS 	HA	7
46	VAL	QG2	47	LYS 	HB3	7
46	VAL	QG2	47	LYS 	HN	6.2
46	VAL	QG2	47	LYS 	QD	8
46	VAL	HA	48	THR	HN	6
46	VAL	HB	48	THR	HN	6
46	VAL	HN	48	THR	HN	4.4
46	VAL	QG1	48	THR	HN	7
46	VAL	QG2	48	THR	HN	7
46	VAL	HA	49	GLY	HA1	6
46	VAL	HA	49	GLY	HN	5.3
46	VAL	QG1	49	GLY	HN	6.3
46	VAL	QG2	49	GLY	HN	6.7
46	VAL	HA	53	MET	QE	4.1
46	VAL	HB	53	MET	QE	4.7
46	VAL	HN	53	MET	QE	5.5
46	VAL	QG1	53	MET	QE	6.5
46	VAL	QG2	53	MET	QE	5.8
46	VAL	HA	56	GLY	HN	4.8
46	VAL	QG1	56	GLY	HA2	7
46	VAL	QG1	56	GLY	HN	6.5
46	VAL	QG2	56	GLY	HN	7
46	VAL	HA	57	GLY	HN	5.3
46	VAL	HN	57	GLY	HA1	6
46	VAL	QG1	57	GLY	HA1	5.5
46	VAL	QG1	57	GLY	HA2	6
46	VAL	QG1	57	GLY	HN	6.4
46	VAL	QG2	57	GLY	HA1	7
46	VAL	QG2	57	GLY	HA2	6
46	VAL	QG2	57	GLY	HN	6.5
46	VAL	QG1	58	MET	HN	7
46	VAL	QG1	67	TYR	QD	7.5
46	VAL	QG1	67	TYR	QE	7.7
46	VAL	QG2	67	TYR	QD	8.5
46	VAL	QG2	67	TYR	QE	8.5
46	VAL	QG1	70	ALA	QB	8
46	VAL	QG2	74	MET	QE	8
47	LYS 	HA	47	LYS 	HB2	4.5
47	LYS 	HA	47	LYS 	HB3	5.8
47	LYS 	HA	47	LYS 	QD	7
47	LYS 	HA	47	LYS 	QG	6.6
47	LYS 	HB3	47	LYS 	QG	6.1
47	LYS 	HN	47	LYS 	HA	4.3
47	LYS 	HN	47	LYS 	HB2	4.2
47	LYS 	HN	47	LYS 	HB3	3.5
47	LYS 	HN	47	LYS 	QD	5.8
47	LYS 	HN	47	LYS 	QE	7
47	LYS 	HN	47	LYS 	QG	6.8
47	LYS 	QD	47	LYS 	QE	8
47	LYS 	QG	47	LYS 	QD	5.9
47	LYS 	QG	47	LYS 	QE	7.8
47	LYS 	HA	48	THR	HN	4.4
47	LYS 	HB2	48	THR	HN	4.8
47	LYS 	HB3	48	THR	HN	3.7
47	LYS 	HN	48	THR	HA	6
47	LYS 	HN	48	THR	HN	3.6
47	LYS 	QD	48	THR	HN	6.8
47	LYS 	HA	49	GLY	HN	6
47	LYS 	HB3	49	GLY	HN	6
47	LYS 	HN	49	GLY	HN	4.4
47	LYS 	QD	49	GLY	HN	7
47	LYS 	HN	53	MET	QE	7
47	LYS 	HA	56	GLY	HA1	4.6
47	LYS 	HA	56	GLY	HN	3.3
47	LYS 	HB3	56	GLY	HN	6
47	LYS 	HN	56	GLY	HN	5.4
47	LYS 	QD	56	GLY	HN	7
47	LYS 	QD	67	TYR	QD	9
47	LYS 	QD	67	TYR	QE	9
47	LYS 	QE	67	TYR	QE	9
47	LYS 	QG	67	TYR	QD	9
47	LYS 	QG	67	TYR	QE	9
48	THR	HA	48	THR	HB	4.5
48	THR	HA	48	THR	QG2	4.7
48	THR	HB	48	THR	QG2	4.4
48	THR	HN	48	THR	HA	3.7
48	THR	HN	48	THR	HB	3.7
48	THR	HN	48	THR	QG2	4.6
48	THR	HA	49	GLY	HN	4.4
48	THR	HB	49	GLY	HN	4.1
48	THR	HN	49	GLY	HA1	5.1
48	THR	HN	49	GLY	HA2	5.8
48	THR	HN	49	GLY	HN	3.2
48	THR	QG2	49	GLY	HN	5.7
48	THR	HN	56	GLY	HN	4.5
49	GLY	HN	49	GLY	HA1	3.3
49	GLY	HN	49	GLY	HA2	3.6
49	GLY	HA1	50	LEU	HN	3.5
49	GLY	HA2	50	LEU	HN	3.7
49	GLY	HN	50	LEU	HB2	5.6
49	GLY	HN	50	LEU	HB3	6
49	GLY	HN	50	LEU	HN	3.5
49	GLY	HN	50	LEU	QQD	8.4
49	GLY	HA1	53	MET	HB3	6
49	GLY	HA1	53	MET	HG2	6
49	GLY	HA1	53	MET	HN	6
49	GLY	HA1	53	MET	QE	6.6
49	GLY	HA2	53	MET	HN	6
49	GLY	HA2	53	MET	QE	7
49	GLY	HA1	56	GLY	HN	4.5
49	GLY	HA2	56	GLY	HN	4.2
49	GLY	HN	56	GLY	HA2	6
49	GLY	HN	56	GLY	HN	4.3
49	GLY	HN	57	GLY	HN	5.4
50	LEU	HA	50	LEU	HB2	3.6
50	LEU	HA	50	LEU	HB3	4.4
50	LEU	HA	50	LEU	QD2	6
50	LEU	HB2	50	LEU	QD1	4.2
50	LEU	HB2	50	LEU	QD2	3.5
50	LEU	HB3	50	LEU	QD1	4.8
50	LEU	HB3	50	LEU	QD2	4.4
50	LEU	HN	50	LEU	HA	4
50	LEU	HN	50	LEU	HB2	4.3
50	LEU	HN	50	LEU	HB3	3.4
50	LEU	HN	50	LEU	QD1	7
50	LEU	HN	50	LEU	QD2	7
50	LEU	HA	51	ASN	HN	3.1
50	LEU	HB2	51	ASN	HA	6
50	LEU	HB2	51	ASN	HB2	6
50	LEU	HB2	51	ASN	HN	3.9
50	LEU	HB3	51	ASN	HB2	6
50	LEU	HB3	51	ASN	HN	5.1
50	LEU	HN	51	ASN	HN	5.1
50	LEU	QD1	51	ASN	HD22	7
50	LEU	QD1	51	ASN	HN	6.1
50	LEU	QD2	51	ASN	HD21	6.4
50	LEU	QD2	51	ASN	HD22	6.8
50	LEU	QD2	51	ASN	HN	6
50	LEU	QQD	51	ASN	HD21	7.8
50	LEU	QQD	51	ASN	HD22	8.1
50	LEU	QQD	51	ASN	HN	8.4
50	LEU	HB3	52	ALA	HN	6
50	LEU	HN	52	ALA	HN	6
50	LEU	QQD	52	ALA	HN	8.4
50	LEU	HA	53	MET	HB3	6
50	LEU	HB3	53	MET	HB3	6
50	LEU	HB3	53	MET	HN	4.4
50	LEU	HB3	53	MET	QE	4.6
50	LEU	HN	53	MET	HA	6
50	LEU	HN	53	MET	HB3	3.3
50	LEU	HN	53	MET	HG2	6
50	LEU	HN	53	MET	HN	4.2
50	LEU	HN	53	MET	QB	5.8
50	LEU	HN	53	MET	QE	4.8
50	LEU	QD2	53	MET	HB3	7
50	LEU	QD2	53	MET	QE	6
51	ASN	HA	51	ASN	HB2	5.2
51	ASN	HA	51	ASN	HB3	4.7
51	ASN	HA	51	ASN	HD21	6
51	ASN	HA	51	ASN	HD22	6
51	ASN	HB2	51	ASN	HD21	4.4
51	ASN	HB2	51	ASN	HD22	4.6
51	ASN	HB3	51	ASN	HD21	4.5
51	ASN	HB3	51	ASN	HD22	4.9
51	ASN	HN	51	ASN	HA	3.2
51	ASN	HN	51	ASN	HB2	4.9
51	ASN	HN	51	ASN	HB3	4.6
51	ASN	HN	51	ASN	HD21	6
51	ASN	HN	51	ASN	HD22	6
51	ASN	HA	52	ALA	HN	4.6
51	ASN	HB2	52	ALA	HN	3.3
51	ASN	HB2	52	ALA	QB	7
51	ASN	HB3	52	ALA	HN	3.1
51	ASN	HB3	52	ALA	QB	6.2
51	ASN	HD21	52	ALA	HN	4.8
51	ASN	HD21	52	ALA	QB	7
51	ASN	HD22	52	ALA	HN	6
51	ASN	HN	52	ALA	HN	5.4
51	ASN	HA	53	MET	HN	4.6
51	ASN	HB2	53	MET	HN	6
51	ASN	HB3	53	MET	HN	6
51	ASN	HD21	53	MET	HN	6
51	ASN	HN	53	MET	HN	6
52	ALA	HA	52	ALA	QB	3.5
52	ALA	HN	52	ALA	HA	3.9
52	ALA	HN	52	ALA	QB	3.9
52	ALA	HA	53	MET	HN	4.4
52	ALA	HN	53	MET	HA	5.8
52	ALA	HN	53	MET	HB3	6
52	ALA	QB	53	MET	HB3	7
52	ALA	QB	53	MET	HN	4.7
53	MET	HA	53	MET	HG2	6
53	MET	HA	53	MET	HG3	5.1
53	MET	HA	53	MET	QB	6.9
53	MET	HA	53	MET	QE	7
53	MET	HG2	53	MET	QE	4.7
53	MET	HG3	53	MET	QE	4.6
53	MET	HN	53	MET	HA	4.6
53	MET	HN	53	MET	HG2	6
53	MET	HN	53	MET	HG3	6
53	MET	HN	53	MET	QB	4.6
53	MET	HN	53	MET	QE	7
53	MET	QB	53	MET	HG2	7
53	MET	QB	53	MET	HG3	6.8
53	MET	QB	53	MET	QE	5.4
53	MET	HA	54	PRO	HA	5.4
53	MET	HG3	57	GLY	HA1	6
53	MET	QE	57	GLY	HA1	7
53	MET	QE	57	GLY	HA2	7
53	MET	QE	57	GLY	HN	6
54	PRO	HA	54	PRO	QB	7
54	PRO	HA	54	PRO	QD	7
54	PRO	HA	54	PRO	QG	5.3
54	PRO	QG	54	PRO	QD	7.9
55	PRO	HA	55	PRO	HB2	6
55	PRO	HA	55	PRO	HB3	4.3
55	PRO	HA	55	PRO	QG	6.6
55	PRO	QG	55	PRO	QD	7.9
55	PRO	HA	56	GLY	HA1	5.8
55	PRO	HA	56	GLY	HA2	5.6
55	PRO	HB2	56	GLY	HA1	5.2
55	PRO	HB2	56	GLY	HA2	6
55	PRO	HB2	56	GLY	HN	4.5
55	PRO	HB3	56	GLY	HA2	6
55	PRO	QG	56	GLY	HA2	7
55	PRO	QG	56	GLY	HN	7
56	GLY	HN	56	GLY	HA1	3.8
56	GLY	HN	56	GLY	HA2	3.2
56	GLY	HA1	57	GLY	HN	5.5
56	GLY	HA2	57	GLY	HN	5.1
56	GLY	HN	57	GLY	HA1	4.9
56	GLY	HN	57	GLY	HA2	5.9
56	GLY	HN	57	GLY	HN	3.9
56	GLY	HA2	58	MET	HN	6
57	GLY	HN	57	GLY	HA1	3.9
57	GLY	HN	57	GLY	HA2	3.8
57	GLY	HA2	58	MET	HN	3.8
57	GLY	HN	58	MET	HN	4.3
58	MET	HA	58	MET	HB2	4.8
58	MET	HA	58	MET	HB3	5.6
58	MET	HA	58	MET	HG2	4.6
58	MET	HA	58	MET	HG3	5.1
58	MET	HB2	58	MET	HG2	4.2
58	MET	HB2	58	MET	HG3	4.2
58	MET	HN	58	MET	HA	3.9
58	MET	HN	58	MET	HB2	5.2
58	MET	HN	58	MET	HB3	6
58	MET	HN	58	MET	HG2	4.6
58	MET	HN	58	MET	HG3	5.1
58	MET	HA	59	CYS 	HN	4.5
58	MET	HB2	59	CYS 	HN	6
58	MET	HB3	59	CYS 	HN	4.4
58	MET	HN	59	CYS 	HN	4.2
59	CYS 	HA	59	CYS 	HB2	4.6
59	CYS 	HA	59	CYS 	HB3	5.2
59	CYS 	HN	59	CYS 	HA	4.7
59	CYS 	HN	59	CYS 	HB2	4.1
59	CYS 	HN	59	CYS 	HB3	4.2
59	CYS 	HA	61	ASP 	HN	6
59	CYS 	CB	62	CYS 	SG	3.1
59	CYS 	HB3	62	CYS 	HB2	6
59	CYS 	HB3	62	CYS 	HN	6
59	CYS 	SG	62	CYS 	CB	3.1
59	CYS 	SG	62	CYS 	SG	2.1
59	CYS 	HA	67	TYR	QE	8
59	CYS 	HB2	67	TYR	QE	7.7
59	CYS 	HB3	67	TYR	QE	7.1
59	CYS 	HN	67	TYR	QE	8
60	THR	HA	60	THR	HB	4.3
60	THR	HA	60	THR	QG2	4.9
60	THR	HB	60	THR	QG2	4.4
60	THR	HN	60	THR	HA	5.8
60	THR	HN	60	THR	HB	4
60	THR	HN	60	THR	QG2	5.6
60	THR	HA	61	ASP 	HN	4.4
60	THR	HB	61	ASP 	HN	6
60	THR	QG2	61	ASP 	HN	7
60	THR	HA	62	CYS 	HN	4.8
61	ASP 	HA	61	ASP 	HB2	4.7
61	ASP 	HA	61	ASP 	HB3	4.6
61	ASP 	HN	61	ASP 	HA	4.4
61	ASP 	HN	61	ASP 	HB2	5.1
61	ASP 	HN	61	ASP 	HB3	4.8
61	ASP 	HA	62	CYS 	HN	4.1
61	ASP 	HB2	62	CYS 	HN	5
61	ASP 	HB3	62	CYS 	HB3	6
61	ASP 	HB3	62	CYS 	HN	4.5
61	ASP 	HN	62	CYS 	HA	6
61	ASP 	HN	62	CYS 	HB2	6
61	ASP 	HN	62	CYS 	HN	3.5
62	CYS 	HA	62	CYS 	HB2	4.7
62	CYS 	HA	62	CYS 	HB3	5.8
62	CYS 	HN	62	CYS 	HA	3.8
62	CYS 	HN	62	CYS 	HB2	3.3
62	CYS 	HN	62	CYS 	HB3	3.7
62	CYS 	HA	63	THR	HB	6
62	CYS 	HA	63	THR	HN	3.1
62	CYS 	HB2	63	THR	HN	5.3
62	CYS 	HB3	63	THR	HN	4.6
62	CYS 	HN	63	THR	HN	4.8
62	CYS 	HA	66	ASP 	HN	5.6
62	CYS 	HB3	66	ASP 	HN	6
62	CYS 	HB2	67	TYR	HN	6
62	CYS 	HB2	67	TYR	QE	8
62	CYS 	HB3	67	TYR	HN	6
62	CYS 	HB3	67	TYR	QE	8
63	THR	HA	63	THR	HB	5.1
63	THR	HN	63	THR	HA	4.9
63	THR	HN	63	THR	HB	3.5
63	THR	HN	63	THR	QG2	4.5
63	THR	HA	64	ASP 	HN	4.3
63	THR	HN	64	ASP 	HN	5.4
63	THR	HB	65	GLU 	HN	6
63	THR	HN	65	GLU 	HN	6
63	THR	HN	66	ASP 	HB3	3.4
63	THR	HN	66	ASP 	HN	3.8
63	THR	HN	67	TYR	HN	4.9
63	THR	QG2	67	TYR	HN	7
64	ASP 	HA	64	ASP 	HB2	3.8
64	ASP 	HA	64	ASP 	HB3	6
64	ASP 	HN	64	ASP 	HA	3.7
64	ASP 	HN	64	ASP 	HB2	4.2
64	ASP 	HN	64	ASP 	HB3	3.4
64	ASP 	HA	65	GLU 	HN	4.2
64	ASP 	HB2	65	GLU 	HN	4.3
64	ASP 	HB3	65	GLU 	HN	3.5
64	ASP 	HN	65	GLU 	HG2	6
64	ASP 	HN	65	GLU 	HG3	6
64	ASP 	HN	65	GLU 	HN	3.9
64	ASP 	HN	65	GLU 	QB	7
64	ASP 	HB3	66	ASP 	HN	6
64	ASP 	HN	66	ASP 	HN	5.5
64	ASP 	HA	67	TYR	HN	4
64	ASP 	HB2	67	TYR	HN	5.5
64	ASP 	HN	67	TYR	HN	6
64	ASP 	HN	67	TYR	QD	8
65	GLU 	HA	65	GLU 	HG2	5
65	GLU 	HA	65	GLU 	HG3	4.8
65	GLU 	HA	65	GLU 	QB	4.8
65	GLU 	HN	65	GLU 	HA	3.6
65	GLU 	HN	65	GLU 	HG2	4.8
65	GLU 	HN	65	GLU 	HG3	5
65	GLU 	HN	65	GLU 	QB	4
65	GLU 	QB	65	GLU 	HG2	5.4
65	GLU 	QB	65	GLU 	HG3	5.2
65	GLU 	HA	66	ASP 	HN	4.6
65	GLU 	HG3	66	ASP 	HN	6
65	GLU 	HN	66	ASP 	HB2	5
65	GLU 	HN	66	ASP 	HN	3.5
65	GLU 	HA	67	TYR	HN	5.6
65	GLU 	HN	67	TYR	HN	4.2
65	GLU 	HA	68	LYS 	HN	6
65	GLU 	HA	69	ALA	HN	6
66	ASP 	HA	66	ASP 	HB2	4.7
66	ASP 	HA	66	ASP 	HB3	3.8
66	ASP 	HN	66	ASP 	HA	3.9
66	ASP 	HN	66	ASP 	HB2	3.5
66	ASP 	HN	66	ASP 	HB3	3.7
66	ASP 	HA	67	TYR	HN	4.7
66	ASP 	HB2	67	TYR	HN	3.6
66	ASP 	HB3	67	TYR	HN	4
66	ASP 	HN	67	TYR	HN	3.6
66	ASP 	HN	68	LYS 	HN	6
66	ASP 	HA	69	ALA	HN	4
66	ASP 	HA	69	ALA	QB	4
66	ASP 	HN	69	ALA	HN	6
66	ASP 	HA	70	ALA	HN	4.4
66	ASP 	HN	70	ALA	HN	6
67	TYR	HA	67	TYR	HB2	5
67	TYR	HA	67	TYR	HB3	4.6
67	TYR	HA	67	TYR	QD	5.2
67	TYR	HA	67	TYR	QE	6.6
67	TYR	HB2	67	TYR	QD	6.6
67	TYR	HB2	67	TYR	QE	7.8
67	TYR	HB3	67	TYR	QD	6.8
67	TYR	HB3	67	TYR	QE	8
67	TYR	HN	67	TYR	HA	4.2
67	TYR	HN	67	TYR	HB2	3.5
67	TYR	HN	67	TYR	HB3	3.9
67	TYR	HN	67	TYR	QD	7.4
67	TYR	HN	67	TYR	QE	7
67	TYR	QD	67	TYR	QE	8.7
67	TYR	HA	68	LYS 	HN	5.9
67	TYR	HB2	68	LYS 	HN	6
67	TYR	HB3	68	LYS 	HN	4.7
67	TYR	HN	68	LYS 	HA	5.9
67	TYR	HN	68	LYS 	HN	3.5
67	TYR	HN	68	LYS 	QD	7
67	TYR	HN	68	LYS 	QG	6.8
67	TYR	HA	69	ALA	HN	6
67	TYR	HN	69	ALA	HN	5
67	TYR	HA	70	ALA	HN	6
67	TYR	HN	70	ALA	HN	5.2
67	TYR	HA	71	ILE	HN	6
68	LYS 	HA	68	LYS 	HB3	3.8
68	LYS 	HA	68	LYS 	QD	6.4
68	LYS 	HA	68	LYS 	QG	6.5
68	LYS 	HB3	68	LYS 	QG	6
68	LYS 	HN	68	LYS 	HA	4.1
68	LYS 	HN	68	LYS 	HB3	3.8
68	LYS 	HN	68	LYS 	QD	7
68	LYS 	HN	68	LYS 	QG	7
68	LYS 	HA	69	ALA	HN	4.6
68	LYS 	HB3	69	ALA	HN	4.1
68	LYS 	HN	69	ALA	HN	3.5
68	LYS 	HA	70	ALA	HN	5.7
68	LYS 	HB3	70	ALA	HN	5.8
68	LYS 	HN	70	ALA	HN	3.7
68	LYS 	QG	70	ALA	HN	7
68	LYS 	HA	71	ILE	HA	6
68	LYS 	HA	71	ILE	HN	5.4
69	ALA	HA	69	ALA	QB	4.6
69	ALA	HN	69	ALA	HA	3.5
69	ALA	HN	69	ALA	QB	3.6
69	ALA	HN	70	ALA	HN	3.4
69	ALA	HN	70	ALA	QB	5.6
69	ALA	QB	70	ALA	HN	3.9
69	ALA	HN	71	ILE	HN	4.9
69	ALA	QB	71	ILE	HN	5.7
69	ALA	HN	72	GLU 	HB3	6
69	ALA	HN	72	GLU 	HG2	6
69	ALA	HN	72	GLU 	HN	6
69	ALA	QB	73	PHE	HN	6.1
70	ALA	HA	70	ALA	QB	3.6
70	ALA	HN	70	ALA	HA	4
70	ALA	HN	70	ALA	QB	3.4
70	ALA	HA	71	ILE	HN	4.4
70	ALA	HN	71	ILE	HN	3.7
70	ALA	HN	71	ILE	QG1	6.5
70	ALA	QB	71	ILE	HN	4
70	ALA	HA	73	PHE	HB2	5.3
70	ALA	HA	73	PHE	HB3	4.8
70	ALA	HA	73	PHE	HN	3.8
70	ALA	HN	73	PHE	HB2	6
70	ALA	HN	73	PHE	HB3	6
70	ALA	HN	73	PHE	HN	4.4
70	ALA	QB	74	MET	QE	6.9
71	ILE	HA	71	ILE	HB	4.9
71	ILE	HA	71	ILE	QD1	6.1
71	ILE	HA	71	ILE	QG1	5.7
71	ILE	HB	71	ILE	QD1	5.6
71	ILE	HB	71	ILE	QG1	5.4
71	ILE	HN	71	ILE	HA	4
71	ILE	HN	71	ILE	HB	3.3
71	ILE	HN	71	ILE	QD1	4.5
71	ILE	HN	71	ILE	QG1	6.4
71	ILE	QG1	71	ILE	QD1	7.8
71	ILE	HA	72	GLU 	HN	4.6
71	ILE	HN	72	GLU 	HA	6
71	ILE	HN	72	GLU 	HB3	4.8
71	ILE	HN	72	GLU 	HG3	6
71	ILE	HN	72	GLU 	HN	3.2
71	ILE	QG1	72	GLU 	HN	6.4
71	ILE	HN	73	PHE	HN	6
71	ILE	QG1	73	PHE	HN	7
71	ILE	HA	74	MET	HB2	6
71	ILE	HA	74	MET	HB3	6
71	ILE	HA	74	MET	HN	4.4
71	ILE	HA	74	MET	QE	4.8
71	ILE	HN	74	MET	QE	6.8
71	ILE	QG1	74	MET	HN	7
71	ILE	HA	75	SER	HN	5.7
71	ILE	QG1	75	SER	HN	7
71	ILE	QG2	75	SER	HN	6.6
71	ILE	QG1	76	LYS 	HN	7
72	GLU 	HA	72	GLU 	HB3	3.9
72	GLU 	HA	72	GLU 	HG2	4.5
72	GLU 	HA	72	GLU 	HG3	6
72	GLU 	HB3	72	GLU 	HG2	3.1
72	GLU 	HN	72	GLU 	HA	3.8
72	GLU 	HN	72	GLU 	HB3	3.1
72	GLU 	HN	72	GLU 	HG2	3.5
72	GLU 	HN	72	GLU 	HG3	3.8
72	GLU 	HA	73	PHE	HN	4.2
72	GLU 	HB3	73	PHE	HN	3.7
72	GLU 	HG2	73	PHE	HN	4
72	GLU 	HG3	73	PHE	HN	6
72	GLU 	HN	73	PHE	HA	5.8
72	GLU 	HN	73	PHE	HB2	6
72	GLU 	HN	73	PHE	HB3	5
72	GLU 	HN	73	PHE	HN	3.6
72	GLU 	HA	74	MET	HN	6
72	GLU 	HN	74	MET	HN	6
72	GLU 	HN	74	MET	QE	7
72	GLU 	HN	75	SER	HN	6
73	PHE	HA	73	PHE	HB2	4.5
73	PHE	HA	73	PHE	HB3	4.8
73	PHE	HA	73	PHE	QD	5.9
73	PHE	HA	73	PHE	QE	6.6
73	PHE	HB2	73	PHE	QD	6.7
73	PHE	HB2	73	PHE	QE	8
73	PHE	HB3	73	PHE	QD	6.8
73	PHE	HB3	73	PHE	QE	8
73	PHE	HN	73	PHE	HA	3.8
73	PHE	HN	73	PHE	HB2	3.5
73	PHE	HN	73	PHE	HB3	3.4
73	PHE	HN	73	PHE	QD	7.1
73	PHE	HN	73	PHE	QE	7
73	PHE	QD	73	PHE	HZ	7.2
73	PHE	QD	73	PHE	QE	8.4
73	PHE	QE	73	PHE	HZ	6.1
73	PHE	HA	74	MET	HN	4.8
73	PHE	HB2	74	MET	HN	4.2
73	PHE	HB3	74	MET	HN	3.8
73	PHE	HN	74	MET	HA	5.5
73	PHE	HN	74	MET	HB2	5.8
73	PHE	QD	74	MET	HN	7.7
73	PHE	QD	74	MET	QE	9
73	PHE	HB3	75	SER	HN	6
73	PHE	HN	75	SER	HN	6
74	MET	HA	74	MET	HB2	5.7
74	MET	HA	74	MET	HB3	4.4
74	MET	HA	74	MET	HG2	5.2
74	MET	HA	74	MET	HG3	5.4
74	MET	HA	74	MET	QE	7
74	MET	HB2	74	MET	HG2	5.6
74	MET	HB2	74	MET	HG3	4.6
74	MET	HB2	74	MET	QE	4.9
74	MET	HB3	74	MET	HG3	6
74	MET	HB3	74	MET	QE	5.5
74	MET	HG2	74	MET	QE	5.9
74	MET	HG3	74	MET	QE	7
74	MET	HN	74	MET	HA	4
74	MET	HN	74	MET	HB2	3.7
74	MET	HN	74	MET	HB3	4.7
74	MET	HN	74	MET	HG2	5.1
74	MET	HN	74	MET	HG3	4.6
74	MET	HN	74	MET	QE	6.6
74	MET	HA	75	SER	HN	5.9
74	MET	HB2	75	SER	HN	4.3
74	MET	HB3	75	SER	HN	5.1
74	MET	HG2	75	SER	HN	5.6
74	MET	HN	75	SER	HN	3.6
74	MET	QE	75	SER	HN	7
74	MET	HB2	76	LYS 	HN	6
74	MET	HN	76	LYS 	HN	5.9
75	SER	HA	75	SER	HB2	3.9
75	SER	HA	75	SER	HB3	3
75	SER	HN	75	SER	HA	3.7
75	SER	HN	75	SER	HB2	3.7
75	SER	HN	75	SER	HB3	3.6
75	SER	HA	76	LYS 	HN	4.6
75	SER	HB2	76	LYS 	HN	5.8
75	SER	HB3	76	LYS 	HN	6
75	SER	HN	76	LYS 	HA	6
75	SER	HN	76	LYS 	HN	3.7
76	LYS 	HA	76	LYS 	HB2	3.6
76	LYS 	HA	76	LYS 	HB3	4
76	LYS 	HN	76	LYS 	HA	4
76	LYS 	HN	76	LYS 	HB2	3.9
76	LYS 	HN	76	LYS 	HB3	3.9
76	LYS 	HN	76	LYS 	QD	6.9
76	LYS 	HN	76	LYS 	QG	6.2
76	LYS 	HA	77	ALA	HN	3
76	LYS 	HB2	77	ALA	HN	5
76	LYS 	HB3	77	ALA	HN	5.5
76	LYS 	HN	77	ALA	HN	5.3
76	LYS 	HN	77	ALA	QB	7
76	LYS 	QE	77	ALA	HN	6.9
76	LYS 	QG	77	ALA	HN	6.3
77	ALA	HA	77	ALA	QB	3.7
77	ALA	HN	77	ALA	HA	3.7
77	ALA	HN	77	ALA	QB	3.5
77	ALA	HA	78	LYS 	HN	3.5
77	ALA	HN	78	LYS 	HN	4.6
78	LYS 	HA	78	LYS 	HB2	3.8
78	LYS 	HA	78	LYS 	HB3	3.8
78	LYS 	HA	78	LYS 	QD	5.9
78	LYS 	HA	78	LYS 	QE	6.4
78	LYS 	HA	78	LYS 	QG	5.2
78	LYS 	HB2	78	LYS 	QD	5
78	LYS 	HB3	78	LYS 	QD	5.7
78	LYS 	HN	78	LYS 	HA	4.2
78	LYS 	HN	78	LYS 	HB2	4
78	LYS 	HN	78	LYS 	HB3	3.4
78	LYS 	HN	78	LYS 	QD	6.5
78	LYS 	HN	78	LYS 	QE	7
78	LYS 	HN	78	LYS 	QG	7
78	LYS 	QD	78	LYS 	QE	8
78	LYS 	QG	78	LYS 	QD	6.5
90	HEM	HAM	90	HEM	QM3	4.6
90	HEM	HBM	90	HEM	QM5	4.6
90	HEM	HDM	90	HEM	QM1	3.9
90	HEM	HT2A	90	HEM	HAM	3.7
90	HEM	HT2A	90	HEM	QM3	5.5
90	HEM	HT2A	90	HEM	QT2	4.8
90	HEM	HT4A	90	HEM	HBM	3.5
90	HEM	HT4A	90	HEM	QM5	6
90	HEM	HT4A	90	HEM	QT4	4.8
90	HEM	QM1	90	HEM	QT2	4.9
90	HEM	QM5	90	HEM	QAP6	5.3
90	HEM	QM8	90	HEM	HDM	5.3
90	HEM	QM8	90	HEM	QM1	7
90	HEM	QT2	90	HEM	HAM	5.5
90	HEM	QT4	90	HEM	HBM	5.7
90	HEM	HBM	20	ALA	QB	6.7
90	HEM	HT4A	20	ALA	QB	7
90	HEM	QM5	20	ALA	HN	7
90	HEM	QM5	20	ALA	QB	4.6
90	HEM	QT4	20	ALA	QB	7
90	HEM	QM5	21	GLY	HN	6.1
90	HEM	HBM	22	ALA	QB	5.3
90	HEM	HT4A	22	ALA	QB	6.7
90	HEM	QAP6	22	ALA	HA	5.6
90	HEM	QAP6	22	ALA	QB	6.5
90	HEM	QM5	22	ALA	HA	5.5
90	HEM	QM5	22	ALA	HN	5.2
90	HEM	QM5	22	ALA	QB	4.5
90	HEM	QT4	22	ALA	QB	7
90	HEM	HDM	31	TRP	HH2	6
90	HEM	HDM	31	TRP	HZ3	6
90	HEM	QM1	31	TRP	HH2	6.1
90	HEM	QM1	31	TRP	HZ3	7
90	HEM	HDM	42	LEU	HB3	6
90	HEM	QM1	42	LEU	HB2	6.3
90	HEM	QM8	42	LEU	HA	6.6
90	HEM	QM1	43	VAL	HA	7
90	HEM	QM1	43	VAL	QG2	7
90	HEM	QM8	43	VAL	HN	7
90	HEM	HDM	46	VAL	HA	5.8
90	HEM	HDM	46	VAL	HB	5.4
90	HEM	HDM	46	VAL	QG1	6
90	HEM	HDM	46	VAL	QG2	4.8
90	HEM	QM1	46	VAL	HB	6
90	HEM	QM1	46	VAL	HN	7
90	HEM	QM1	46	VAL	QG1	5
90	HEM	QM1	46	VAL	QG2	4.5
90	HEM	QM8	46	VAL	HN	5.7
90	HEM	QM8	46	VAL	QG1	7
90	HEM	QM8	46	VAL	QG2	6.8
90	HEM	QT2	46	VAL	QG1	5.3
90	HEM	QT2	46	VAL	QG2	5.5
90	HEM	HBM	52	ALA	QB	6
90	HEM	QM5	52	ALA	HN	6.1
90	HEM	QM5	52	ALA	QB	4.5
90	HEM	FE	53	MET	SD	2.1
90	HEM	HBM	53	MET	HA	4.6
90	HEM	HBM	53	MET	HG2	6
90	HEM	HBM	53	MET	HG3	6
90	HEM	HBM	53	MET	HN	6
90	HEM	HBM	53	MET	QB	7
90	HEM	HDM	53	MET	QE	6.7
90	HEM	HT4A	53	MET	HA	6
90	HEM	HT4A	53	MET	HN	6
90	HEM	QM1	53	MET	QE	6.5
90	HEM	QM5	53	MET	HB3	7
90	HEM	QM5	53	MET	HN	6.2
90	HEM	QM8	53	MET	QE	7
90	HEM	QT4	53	MET	HA	7
90	HEM	HAM	57	GLY	HA1	6
90	HEM	HT2A	57	GLY	HA1	6
90	HEM	HT2A	57	GLY	HA2	6
90	HEM	QT2	57	GLY	HA1	3.7
90	HEM	QT2	57	GLY	HN	7
90	HEM	QT2	59	CYS 	HB2	4.8
90	HEM	QT2	59	CYS 	HB3	7
90	HEM	QT2	59	CYS 	HN	6.7
90	HEM	QM1	67	TYR	QD	7.4
90	HEM	QM1	67	TYR	QE	9
90	HEM	QT2	67	TYR	QD	7.2
90	HEM	QT2	67	TYR	QE	7
90	HEM	QM1	70	ALA	HN	7
90	HEM	QM1	70	ALA	QB	5.8
90	HEM	HDM	71	ILE	HB	6
90	HEM	HDM	71	ILE	QG1	7
90	HEM	QM1	71	ILE	HA	7
90	HEM	QM1	71	ILE	HN	5.7
90	HEM	QM1	71	ILE	QG1	7.6
90	HEM	QM1	72	GLU 	HN	7
90	HEM	HDM	74	MET	QE	6.3
90	HEM	QM1	74	MET	QE	6.1
90	HEM	QM8	74	MET	QE	7
Table 3: : Dihedral angle angle constraints used in solution structure calculations.
 
Nr    Res  Angle	 Range
7	TYR	CHI1	20.0	100.0
11	CYS	CHI1	-100.0	-20.0
26	HIS	CHI1	20.0	100.0
34	ARG	CHI1	-100.0	-20.0
37	LYS	CHI1	-100.0	-20.0
41	ASN	CHI1	-100.0	-20.0
42	LEU	CHI1	-100.0	-20.0
47	LYS	CHI1	20.0	100.0
51	ASN	CHI1	-100.0	-20.0
62	CYS	CHI1	-100.0	-20.0
64	ASP	CHI1	-100.0	-20.0
66	ASP	CHI1	-100.0	-20.0
76	LYS	CHI1	20.0	100.0
78	LYS	CHI1	20.0	100.0
-1	LEU	PHI	-145.0	-75.0
5	ALA	PHI	-150.0	-70.0
6	ILE	PHI	-150.0	-70.0
7	TYR	PHI	-150.0	-70.0
8	ASN	PHI	-150.0	-70.0
9	LYS	PHI	-150.0	-70.0
10	ALA	PHI	-125.0	-80.0
14	CYS	PHI	-125.0	-80.0
15	HEM	PHI	-145.0	-75.0
17	MET	PHI	-125.0	-80.0
26	HIS	PHI	-145.0	-75.0
29	ALA	PHI	-180.0	-40.0
30	ASP	PHI	-180.0	-40.0
31	TRP	PHI	-180.0	-40.0
32	GLU	PHI	-180.0	-40.0
34	ARG	PHI	-125.0	-80.0
35	LEU	PHI	-180.0	-40.0
44	LYS	PHI	-180.0	-40.0
45	SER	PHI	-180.0	-40.0
48	THR	PHI	-145.0	-75.0
53	MET	PHI	-145.0	-75.0
59	CYS	PHI	-125.0	-80.0
61	ASP	PHI	-125.0	-80.0
63	THR	PHI	-125.0	-80.0
66	ASP	PHI	-145.0	-75.0
67	TYR	PHI	-180.0	-40.0
68	LYS	PHI	-180.0	-40.0
69	ALA	PHI	-180.0	-40.0
71	ILE	PHI	-180.0	-40.0
72	GLU	PHI	-180.0	-40.0
73	PHE	PHI	-180.0	-40.0
78	LYS	PHI	-145.0	-75.0
4	GLU	PSI	-70.0	-10.0
5	ALA	PSI	-70.0	-10.0
6	ILE	PSI	-70.0	-10.0
7	TYR	PSI	-70.0	-10.0
8	ASN	PSI	-70.0	-10.0
9	LYS	PSI	-70.0	-10.0
29	ALA	PSI	-70.0	-10.0
30	ASP	PSI	-70.0	-10.0
31	TRP	PSI	-70.0	-10.0
34	ARG	PSI	-70.0	-10.0
43	VAL	PSI	-70.0	-10.0
44	LYS	PSI	-70.0	-10.0
47	LYS	PSI	-70.0	-10.0
65	GLU	PSI	-70.0	-10.0
66	ASP	PSI	-70.0	-10.0
67	TYR	PSI	-70.0	-10.0
68	LYS	PSI	-70.0	-10.0





  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA  -3          H1        ALA  -3   1.112  -2.497 -16.024
    2   2H    ALA  -3          H2        ALA  -3   1.213  -1.303 -17.165
    3   3H    ALA  -3          H3        ALA  -3   1.821  -2.813 -17.471
    4    HA   ALA  -3           HA       ALA  -3   3.567  -1.247 -17.040
    5   1HB   ALA  -3          HB1       ALA  -3   2.359   0.142 -15.409
    6   2HB   ALA  -3          HB2       ALA  -3   2.384  -1.180 -14.227
    7   3HB   ALA  -3          HB3       ALA  -3   3.908  -0.434 -14.766
    8    H    ASP  -2           HN       ASP  -2   4.107  -2.511 -13.964
    9    HA   ASP  -2           HA       ASP  -2   5.399  -4.922 -15.106
   10   1HB   ASP  -2          HB2       ASP  -2   6.621  -2.249 -14.297
   11   2HB   ASP  -2          HB3       ASP  -2   7.560  -3.749 -14.328
   12    H    LEU  -1           HN       LEU  -1   5.588  -6.414 -13.727
   13    HA   LEU  -1           HA       LEU  -1   5.314  -6.061 -10.776
   14   1HB   LEU  -1          HB2       LEU  -1   3.385  -6.884 -11.974
   15   2HB   LEU  -1          HB3       LEU  -1   4.322  -8.173 -12.737
   16    HG   LEU  -1           HG       LEU  -1   4.480  -8.070  -9.749
   17   1HD1  LEU  -1          HD11      LEU  -1   2.249  -7.333 -10.092
   18   2HD1  LEU  -1          HD12      LEU  -1   1.920  -8.663 -11.240
   19   3HD1  LEU  -1          HD13      LEU  -1   2.228  -9.023  -9.516
   20   1HD2  LEU  -1          HD21      LEU  -1   4.199 -10.246 -11.851
   21   2HD2  LEU  -1          HD22      LEU  -1   5.329 -10.141 -10.477
   22   3HD2  LEU  -1          HD23      LEU  -1   3.660 -10.584 -10.200
   23    H    GLN   1           HN       GLN   1   7.632  -5.766 -11.370
   24    HA   GLN   1           HA       GLN   1   8.988  -8.357 -10.913
   25   1HB   GLN   1          HB2       GLN   1   9.741  -6.163 -12.856
   26   2HB   GLN   1          HB3       GLN   1  11.068  -7.019 -12.049
   27   1HG   GLN   1          HG2       GLN   1  10.190  -9.197 -12.733
   28   2HG   GLN   1          HG3       GLN   1   8.773  -8.444 -13.486
   29   1HE2  GLN   1          HE22      GLN   1   9.996 -10.131 -15.070
   30   2HE2  GLN   1          HE21      GLN   1  10.990  -9.278 -16.248
   31    H    ASP   2           HN       ASP   2   8.342  -5.417  -9.538
   32    HA   ASP   2           HA       ASP   2  10.272  -5.935  -7.433
   33   1HB   ASP   2          HB2       ASP   2  11.677  -4.811  -9.152
   34   2HB   ASP   2          HB3       ASP   2  10.608  -3.405  -9.098
   35    H    ALA   3           HN       ALA   3   9.281  -5.525  -5.674
   36    HA   ALA   3           HA       ALA   3   6.870  -4.244  -5.062
   37   1HB   ALA   3          HB1       ALA   3   8.086  -5.698  -3.614
   38   2HB   ALA   3          HB2       ALA   3   9.482  -4.604  -3.542
   39   3HB   ALA   3          HB3       ALA   3   7.950  -4.117  -2.796
   40    H    GLU   4           HN       GLU   4  10.195  -2.844  -5.304
   41    HA   GLU   4           HA       GLU   4   9.462  -0.224  -4.385
   42   1HB   GLU   4          HB2       GLU   4  11.715  -0.887  -4.304
   43   2HB   GLU   4          HB3       GLU   4  11.823  -1.152  -6.047
   44   1HG   GLU   4          HG2       GLU   4  11.738   1.165  -6.530
   45   2HG   GLU   4          HG3       GLU   4  10.945   1.566  -5.005
   46    H    ALA   5           HN       ALA   5   9.644  -1.716  -7.634
   47    HA   ALA   5           HA       ALA   5   8.973   0.722  -9.048
   48   1HB   ALA   5          HB1       ALA   5  10.130  -1.186 -10.116
   49   2HB   ALA   5          HB2       ALA   5   8.672  -2.186  -9.936
   50   3HB   ALA   5          HB3       ALA   5   8.638  -0.749 -10.973
   51    H    ILE   6           HN       ILE   6   7.085  -1.992  -7.731
   52    HA   ILE   6           HA       ILE   6   4.549  -1.217  -8.813
   53    HB   ILE   6           HB       ILE   6   5.458  -2.863  -6.436
   54   1HG1  ILE   6          HG12      ILE   6   5.721  -3.775  -8.760
   55   2HG1  ILE   6          HG13      ILE   6   4.752  -4.752  -7.658
   56   1HG2  ILE   6          HG21      ILE   6   3.416  -2.044  -5.562
   57   2HG2  ILE   6          HG22      ILE   6   2.574  -2.224  -7.111
   58   3HG2  ILE   6          HG23      ILE   6   3.080  -3.657  -6.184
   59   1HD1  ILE   6          HD11      ILE   6   2.675  -3.805  -8.700
   60   2HD1  ILE   6          HD12      ILE   6   3.684  -2.966  -9.889
   61   3HD1  ILE   6          HD13      ILE   6   3.675  -4.734  -9.816
   62    H    TYR   7           HN       TYR   7   5.974  -0.509  -5.502
   63    HA   TYR   7           HA       TYR   7   3.655   1.138  -5.000
   64   1HB   TYR   7          HB2       TYR   7   4.313   1.406  -2.888
   65   2HB   TYR   7          HB3       TYR   7   5.330   0.028  -3.262
   66    HD1  TYR   7           HD1      TYR   7   7.716   0.260  -3.178
   67    HD2  TYR   7           HD2      TYR   7   5.212   3.740  -2.863
   68    HE1  TYR   7           HE1      TYR   7   9.739   1.720  -3.077
   69    HE2  TYR   7           HE2      TYR   7   7.222   5.177  -2.663
   70    HH   TYR   7           HH       TYR   7   9.503   5.261  -2.852
   71    H    ASN   8           HN       ASN   8   6.905   1.810  -6.231
   72    HA   ASN   8           HA       ASN   8   6.630   4.635  -6.031
   73   1HB   ASN   8          HB2       ASN   8   8.775   3.340  -6.098
   74   2HB   ASN   8          HB3       ASN   8   8.463   2.973  -7.812
   75   1HD2  ASN   8          HD22      ASN   8  10.442   3.947  -8.410
   76   2HD2  ASN   8          HD21      ASN   8  10.643   5.690  -8.326
   77    H    LYS   9           HN       LYS   9   5.634   2.378  -8.721
   78    HA   LYS   9           HA       LYS   9   4.753   4.683 -10.238
   79   1HB   LYS   9          HB2       LYS   9   5.755   2.724 -11.248
   80   2HB   LYS   9          HB3       LYS   9   4.487   1.669 -10.574
   81   1HG   LYS   9          HG2       LYS   9   2.816   2.571 -11.889
   82   2HG   LYS   9          HG3       LYS   9   3.661   4.120 -12.101
   83   1HD   LYS   9          HD2       LYS   9   5.294   3.163 -13.601
   84   2HD   LYS   9          HD3       LYS   9   4.623   1.520 -13.372
   85   1HE   LYS   9          HE2       LYS   9   2.486   2.182 -14.166
   86   2HE   LYS   9          HE3       LYS   9   2.901   3.897 -14.125
   87   1HZ   LYS   9          HZ1       LYS   9   4.419   3.607 -15.931
   88   2HZ   LYS   9          HZ2       LYS   9   4.164   1.989 -16.005
   89   3HZ   LYS   9          HZ3       LYS   9   2.957   3.039 -16.410
   90    H    ALA  10           HN       ALA  10   3.313   2.431  -7.867
   91    HA   ALA  10           HA       ALA  10   0.565   3.245  -8.768
   92   1HB   ALA  10          HB1       ALA  10   1.097   0.835  -8.667
   93   2HB   ALA  10          HB2       ALA  10   1.330   0.976  -6.911
   94   3HB   ALA  10          HB3       ALA  10  -0.251   1.322  -7.624
   95    H    CYS  11           HN       CYS  11   2.128   2.596  -5.589
   96    HA   CYS  11           HA       CYS  11   0.185   4.282  -4.215
   97   1HB   CYS  11          HB2       CYS  11   2.546   3.207  -2.798
   98   2HB   CYS  11          HB3       CYS  11   0.858   3.256  -2.307
   99    H    THR  12           HN       THR  12   1.451   5.819  -6.037
  100    HA   THR  12           HA       THR  12   3.467   7.497  -4.620
  101    HB   THR  12           HB       THR  12   4.272   6.033  -6.476
  102    HG1  THR  12           HG1      THR  12   4.814   8.055  -7.779
  103   1HG2  THR  12          HG21      THR  12   2.171   6.132  -7.930
  104   2HG2  THR  12          HG22      THR  12   2.558   7.826  -8.286
  105   3HG2  THR  12          HG23      THR  12   3.654   6.548  -8.793
  106    H    VAL  13           HN       VAL  13   0.513   7.552  -6.300
  107    HA   VAL  13           HA       VAL  13   0.756  10.312  -7.207
  108    HB   VAL  13           HB       VAL  13  -1.778   8.611  -6.964
  109   1HG1  VAL  13          HG11      VAL  13  -2.034  11.028  -7.368
  110   2HG1  VAL  13          HG12      VAL  13  -0.882  10.917  -8.718
  111   3HG1  VAL  13          HG13      VAL  13  -2.471  10.103  -8.825
  112   1HG2  VAL  13          HG21      VAL  13   0.247   8.692  -9.245
  113   2HG2  VAL  13          HG22      VAL  13  -0.200   7.268  -8.278
  114   3HG2  VAL  13          HG23      VAL  13  -1.387   8.005  -9.352
  115    H    CYS  14           HN       CYS  14  -0.962   8.531  -4.741
  116    HA   CYS  14           HA       CYS  14  -1.964  10.908  -3.359
  117   1HB   CYS  14          HB2       CYS  14  -2.364   7.948  -2.934
  118   2HB   CYS  14          HB3       CYS  14  -3.388   9.261  -2.299
  119    H    HIS  15           HN       HIS  15  -0.050   7.988  -2.626
  120    HA   HIS  15           HA       HIS  15   0.223   8.744   0.184
  121   1HB   HIS  15          HB2       HIS  15   1.245   6.453  -1.515
  122   2HB   HIS  15          HB3       HIS  15   1.720   6.647   0.166
  123    HD1  HIS  15           HD1      HIS  15  -0.010   6.127   2.005
  124    HD2  HIS  15           HD2      HIS  15  -1.296   5.629  -1.944
  125    HE1  HIS  15           HE1      HIS  15  -2.012   4.501   2.093
  126    H    SER  16           HN       SER  16   2.220   9.364  -2.579
  127    HA   SER  16           HA       SER  16   4.773   9.491  -1.227
  128   1HB   SER  16          HB2       SER  16   4.498   9.264  -3.682
  129   2HB   SER  16          HB3       SER  16   3.883  10.933  -3.757
  130    HG   SER  16           HG       SER  16   6.164  10.723  -4.167
  131    H    MET  17           HN       MET  17   2.367  11.957  -2.140
  132    HA   MET  17           HA       MET  17   3.700  13.998  -0.440
  133   1HB   MET  17          HB2       MET  17   2.435  14.045  -3.001
  134   2HB   MET  17          HB3       MET  17   1.357  14.915  -1.904
  135   1HG   MET  17          HG2       MET  17   2.923  16.447  -2.910
  136   2HG   MET  17          HG3       MET  17   3.249  16.333  -1.175
  137   1HE   MET  17          HE1       MET  17   5.167  17.700  -3.307
  138   2HE   MET  17          HE2       MET  17   5.502  17.607  -1.556
  139   3HE   MET  17          HE3       MET  17   6.743  17.104  -2.730
  140    H    GLY  18           HN       GLY  18   0.777  12.027  -0.571
  141   1HA   GLY  18          HA2       GLY  18  -0.711  11.635   1.160
  142   2HA   GLY  18          HA3       GLY  18  -0.185  13.069   2.035
  143    H    VAL  19           HN       VAL  19  -1.379  12.472  -1.302
  144    HA   VAL  19           HA       VAL  19  -3.234  14.777  -1.135
  145    HB   VAL  19           HB       VAL  19  -2.615  12.991  -3.521
  146   1HG1  VAL  19          HG11      VAL  19  -4.742  14.109  -3.850
  147   2HG1  VAL  19          HG12      VAL  19  -4.067  15.657  -3.278
  148   3HG1  VAL  19          HG13      VAL  19  -3.526  14.941  -4.807
  149   1HG2  VAL  19          HG21      VAL  19  -1.455  15.689  -2.715
  150   2HG2  VAL  19          HG22      VAL  19  -0.578  14.148  -2.879
  151   3HG2  VAL  19          HG23      VAL  19  -1.250  14.929  -4.308
  152    H    ALA  20           HN       ALA  20  -5.456  14.447  -1.777
  153    HA   ALA  20           HA       ALA  20  -7.527  13.603  -1.277
  154   1HB   ALA  20          HB1       ALA  20  -6.909  12.103  -3.162
  155   2HB   ALA  20          HB2       ALA  20  -6.291  10.916  -1.993
  156   3HB   ALA  20          HB3       ALA  20  -8.013  11.334  -2.004
  157    H    GLY  21           HN       GLY  21  -5.410  13.682   0.850
  158   1HA   GLY  21          HA2       GLY  21  -5.339  13.326   3.126
  159   2HA   GLY  21          HA3       GLY  21  -6.885  12.472   3.045
  160    H    ALA  22           HN       ALA  22  -4.317  11.294   0.891
  161    HA   ALA  22           HA       ALA  22  -4.460   8.789   2.137
  162   1HB   ALA  22          HB1       ALA  22  -3.893   8.982  -0.210
  163   2HB   ALA  22          HB2       ALA  22  -2.357   9.772   0.191
  164   3HB   ALA  22          HB3       ALA  22  -2.637   8.074   0.644
  165    HA   PRO  23           HA       PRO  23  -1.469   9.106   5.558
  166   1HB   PRO  23          HB2       PRO  23  -1.092   6.601   5.935
  167   2HB   PRO  23          HB3       PRO  23  -2.708   7.314   6.266
  168   1HG   PRO  23          HG2       PRO  23  -1.802   5.701   3.882
  169   2HG   PRO  23          HG3       PRO  23  -3.292   5.456   4.849
  170   1HD   PRO  23          HD2       PRO  23  -3.310   6.893   2.551
  171   2HD   PRO  23          HD3       PRO  23  -4.263   7.429   3.968
  172    H    LYS  24           HN       LYS  24   0.800   8.930   5.839
  173    HA   LYS  24           HA       LYS  24   2.116   9.127   3.233
  174   1HB   LYS  24          HB2       LYS  24   3.316   9.311   5.999
  175   2HB   LYS  24          HB3       LYS  24   4.198   9.602   4.506
  176   1HG   LYS  24          HG2       LYS  24   2.803  11.458   3.881
  177   2HG   LYS  24          HG3       LYS  24   1.699  11.169   5.239
  178   1HD   LYS  24          HD2       LYS  24   3.517  11.620   6.846
  179   2HD   LYS  24          HD3       LYS  24   4.665  11.872   5.521
  180   1HE   LYS  24          HE2       LYS  24   3.421  13.825   4.731
  181   2HE   LYS  24          HE3       LYS  24   2.106  13.514   5.874
  182   1HZ   LYS  24          HZ1       LYS  24   3.625  13.940   7.679
  183   2HZ   LYS  24          HZ2       LYS  24   4.870  14.210   6.641
  184   3HZ   LYS  24          HZ3       LYS  24   3.585  15.238   6.668
  185    H    SER  25           HN       SER  25   3.906   8.065   2.471
  186    HA   SER  25           HA       SER  25   4.110   5.259   2.551
  187   1HB   SER  25          HB2       SER  25   6.376   5.886   1.440
  188   2HB   SER  25          HB3       SER  25   4.871   6.412   0.658
  189    HG   SER  25           HG       SER  25   6.175   8.225   0.796
  190    H    HIS  26           HN       HIS  26   5.850   7.801   4.350
  191    HA   HIS  26           HA       HIS  26   6.999   5.696   6.144
  192   1HB   HIS  26          HB2       HIS  26   9.127   6.566   6.097
  193   2HB   HIS  26          HB3       HIS  26   8.632   6.391   4.417
  194    HD1  HIS  26           HD1      HIS  26  10.781   8.498   6.025
  195    HD2  HIS  26           HD2      HIS  26   7.161   9.289   4.032
  196    HE1  HIS  26           HE1      HIS  26  10.806  10.974   5.405
  197    H    ASN  27           HN       ASN  27   5.173   6.205   7.408
  198    HA   ASN  27           HA       ASN  27   5.712   8.401   9.383
  199   1HB   ASN  27          HB2       ASN  27   3.187   7.279   8.175
  200   2HB   ASN  27          HB3       ASN  27   3.163   7.617   9.917
  201   1HD2  ASN  27          HD22      ASN  27   1.410   8.840   7.979
  202   2HD2  ASN  27          HD21      ASN  27   1.805  10.544   8.110
  203    H    THR  28           HN       THR  28   5.274   7.667  11.639
  204    HA   THR  28           HA       THR  28   5.418   4.655  11.977
  205    HB   THR  28           HB       THR  28   6.199   6.953  13.798
  206    HG1  THR  28           HG1      THR  28   8.095   5.338  13.655
  207   1HG2  THR  28          HG21      THR  28   5.149   5.278  15.253
  208   2HG2  THR  28          HG22      THR  28   6.052   3.976  14.447
  209   3HG2  THR  28          HG23      THR  28   6.899   5.199  15.418
  210    H    ALA  29           HN       ALA  29   3.607   7.600  13.032
  211    HA   ALA  29           HA       ALA  29   1.856   6.077  14.730
  212   1HB   ALA  29          HB1       ALA  29   2.411   8.418  15.107
  213   2HB   ALA  29          HB2       ALA  29   1.570   8.872  13.599
  214   3HB   ALA  29          HB3       ALA  29   0.656   8.173  14.960
  215    H    ASP  30           HN       ASP  30   1.801   6.812  11.378
  216    HA   ASP  30           HA       ASP  30  -1.030   6.424  10.868
  217   1HB   ASP  30          HB2       ASP  30   0.765   7.966   9.778
  218   2HB   ASP  30          HB3       ASP  30   1.320   6.489   8.928
  219    H    TRP  31           HN       TRP  31   1.891   4.529  11.040
  220    HA   TRP  31           HA       TRP  31   0.750   2.120   9.736
  221   1HB   TRP  31          HB2       TRP  31   3.548   2.926  10.549
  222   2HB   TRP  31          HB3       TRP  31   3.130   1.353   9.850
  223    HD1  TRP  31           HD1      TRP  31   3.122   5.080   8.930
  224    HE1  TRP  31           HE1      TRP  31   3.227   5.415   6.387
  225    HE3  TRP  31           HE3      TRP  31   3.217   0.178   7.497
  226    HZ2  TRP  31           HZ2      TRP  31   3.177   3.786   4.068
  227    HZ3  TRP  31           HZ3      TRP  31   3.173  -0.375   5.046
  228    HH2  TRP  31           HH2      TRP  31   2.977   1.418   3.383
  229    H    GLU  32           HN       GLU  32   1.945   3.252  12.959
  230    HA   GLU  32           HA       GLU  32   1.887   0.972  14.448
  231   1HB   GLU  32          HB2       GLU  32   1.132   3.815  14.965
  232   2HB   GLU  32          HB3       GLU  32   0.632   2.634  16.179
  233   1HG   GLU  32          HG2       GLU  32   2.923   1.819  16.430
  234   2HG   GLU  32          HG3       GLU  32   3.494   2.943  15.188
  235    HA   PRO  33           HA       PRO  33  -2.805   0.575  15.035
  236   1HB   PRO  33          HB2       PRO  33  -4.643   2.238  13.945
  237   2HB   PRO  33          HB3       PRO  33  -3.622   2.761  15.309
  238   1HG   PRO  33          HG2       PRO  33  -3.056   3.232  12.354
  239   2HG   PRO  33          HG3       PRO  33  -3.200   4.475  13.634
  240   1HD   PRO  33          HD2       PRO  33  -0.804   3.474  12.932
  241   2HD   PRO  33          HD3       PRO  33  -1.182   3.779  14.658
  242    H    ARG  34           HN       ARG  34  -1.082  -0.031  12.579
  243    HA   ARG  34           HA       ARG  34  -3.142  -1.582  11.115
  244   1HB   ARG  34          HB2       ARG  34  -0.646  -0.292   9.910
  245   2HB   ARG  34          HB3       ARG  34  -1.870  -1.219   9.043
  246   1HG   ARG  34          HG2       ARG  34  -2.297   1.474  10.452
  247   2HG   ARG  34          HG3       ARG  34  -2.002   1.281   8.747
  248   1HD   ARG  34          HD2       ARG  34  -4.131   0.633   8.273
  249   2HD   ARG  34          HD3       ARG  34  -4.221  -0.440   9.639
  250    HE   ARG  34           HE       ARG  34  -4.896   1.222  11.109
  251   1HH1  ARG  34          HH21      ARG  34  -4.348   2.699   8.012
  252   2HH1  ARG  34          HH22      ARG  34  -5.984   3.273   7.853
  253   1HH2  ARG  34          HH11      ARG  34  -6.849   2.585  11.144
  254   2HH2  ARG  34          HH12      ARG  34  -7.108   3.679   9.799
  255    H    LEU  35           HN       LEU  35   0.328  -1.225  11.831
  256    HA   LEU  35           HA       LEU  35   1.098  -3.949  11.724
  257   1HB   LEU  35          HB2       LEU  35   2.251  -1.400  12.358
  258   2HB   LEU  35          HB3       LEU  35   2.583  -2.430  13.734
  259    HG   LEU  35           HG       LEU  35   3.215  -3.169  10.847
  260   1HD1  LEU  35          HD11      LEU  35   4.462  -1.173  11.550
  261   2HD1  LEU  35          HD12      LEU  35   5.002  -2.010  13.021
  262   3HD1  LEU  35          HD13      LEU  35   5.542  -2.569  11.420
  263   1HD2  LEU  35          HD21      LEU  35   4.142  -4.423  13.455
  264   2HD2  LEU  35          HD22      LEU  35   3.007  -5.145  12.287
  265   3HD2  LEU  35          HD23      LEU  35   4.682  -4.862  11.815
  266    H    ALA  36           HN       ALA  36  -1.112  -2.613  13.845
  267    HA   ALA  36           HA       ALA  36  -0.386  -4.062  16.289
  268   1HB   ALA  36          HB1       ALA  36  -1.348  -1.798  16.459
  269   2HB   ALA  36          HB2       ALA  36  -2.782  -2.320  15.548
  270   3HB   ALA  36          HB3       ALA  36  -2.451  -3.001  17.156
  271    H    LYS  37           HN       LYS  37  -2.350  -4.327  13.385
  272    HA   LYS  37           HA       LYS  37  -3.801  -6.670  14.437
  273   1HB   LYS  37          HB2       LYS  37  -3.989  -5.266  11.740
  274   2HB   LYS  37          HB3       LYS  37  -4.958  -6.645  12.278
  275   1HG   LYS  37          HG2       LYS  37  -5.233  -4.793  14.378
  276   2HG   LYS  37          HG3       LYS  37  -5.200  -3.767  12.938
  277   1HD   LYS  37          HD2       LYS  37  -7.027  -5.155  11.940
  278   2HD   LYS  37          HD3       LYS  37  -7.001  -6.201  13.378
  279   1HE   LYS  37          HE2       LYS  37  -7.551  -4.204  14.809
  280   2HE   LYS  37          HE3       LYS  37  -7.677  -3.216  13.344
  281   1HZ   LYS  37          HZ1       LYS  37  -9.476  -4.655  12.617
  282   2HZ   LYS  37          HZ2       LYS  37  -9.341  -5.577  13.972
  283   3HZ   LYS  37          HZ3       LYS  37  -9.828  -4.013  14.089
  284    H    GLY  38           HN       GLY  38  -1.707  -5.780  11.675
  285   1HA   GLY  38          HA2       GLY  38   0.319  -7.627  11.978
  286   2HA   GLY  38          HA3       GLY  38  -0.931  -8.543  11.118
  287    H    VAL  39           HN       VAL  39  -0.359  -8.624   9.013
  288    HA   VAL  39           HA       VAL  39   0.418  -6.104   7.589
  289    HB   VAL  39           HB       VAL  39   1.514  -8.685   6.543
  290   1HG1  VAL  39          HG11      VAL  39   1.925  -6.449   5.533
  291   2HG1  VAL  39          HG12      VAL  39   2.726  -5.961   7.044
  292   3HG1  VAL  39          HG13      VAL  39   3.422  -7.255   6.053
  293   1HG2  VAL  39          HG21      VAL  39   2.675  -7.484   9.084
  294   2HG2  VAL  39          HG22      VAL  39   2.014  -9.129   8.886
  295   3HG2  VAL  39          HG23      VAL  39   3.477  -8.660   8.025
  296    H    ASP  40           HN       ASP  40  -0.475  -9.480   6.767
  297    HA   ASP  40           HA       ASP  40  -1.682  -8.820   4.375
  298   1HB   ASP  40          HB2       ASP  40  -2.164 -11.336   6.004
  299   2HB   ASP  40          HB3       ASP  40  -2.141 -11.164   4.243
  300    H    ASN  41           HN       ASN  41  -2.975  -7.515   6.839
  301    HA   ASN  41           HA       ASN  41  -5.859  -8.095   6.375
  302   1HB   ASN  41          HB2       ASN  41  -5.114  -5.895   8.230
  303   2HB   ASN  41          HB3       ASN  41  -6.218  -7.212   8.509
  304   1HD2  ASN  41          HD22      ASN  41  -3.126  -5.894   9.216
  305   2HD2  ASN  41          HD21      ASN  41  -2.663  -7.241  10.236
  306    H    LEU  42           HN       LEU  42  -3.283  -5.824   5.673
  307    HA   LEU  42           HA       LEU  42  -5.193  -3.720   4.787
  308   1HB   LEU  42          HB2       LEU  42  -2.207  -3.929   5.223
  309   2HB   LEU  42          HB3       LEU  42  -2.944  -2.559   4.432
  310    HG   LEU  42           HG       LEU  42  -2.698  -1.800   6.595
  311   1HD1  LEU  42          HD11      LEU  42  -5.063  -1.510   5.787
  312   2HD1  LEU  42          HD12      LEU  42  -5.519  -2.902   6.803
  313   3HD1  LEU  42          HD13      LEU  42  -4.859  -1.449   7.541
  314   1HD2  LEU  42          HD21      LEU  42  -3.582  -4.481   7.661
  315   2HD2  LEU  42          HD22      LEU  42  -1.982  -3.746   7.783
  316   3HD2  LEU  42          HD23      LEU  42  -3.353  -3.046   8.661
  317    H    VAL  43           HN       VAL  43  -2.640  -5.796   3.477
  318    HA   VAL  43           HA       VAL  43  -2.728  -5.263   0.770
  319    HB   VAL  43           HB       VAL  43  -1.520  -7.070   2.233
  320   1HG1  VAL  43          HG11      VAL  43  -3.572  -8.360   2.771
  321   2HG1  VAL  43          HG12      VAL  43  -3.700  -8.832   1.057
  322   3HG1  VAL  43          HG13      VAL  43  -2.297  -9.331   2.014
  323   1HG2  VAL  43          HG21      VAL  43  -2.170  -7.567  -0.683
  324   2HG2  VAL  43          HG22      VAL  43  -0.770  -6.705   0.017
  325   3HG2  VAL  43          HG23      VAL  43  -0.927  -8.433   0.228
  326    H    LYS  44           HN       LYS  44  -5.309  -6.720   2.701
  327    HA   LYS  44           HA       LYS  44  -6.945  -7.512   0.462
  328   1HB   LYS  44          HB2       LYS  44  -8.273  -6.947   3.085
  329   2HB   LYS  44          HB3       LYS  44  -8.438  -8.287   1.973
  330   1HG   LYS  44          HG2       LYS  44  -5.903  -8.812   2.884
  331   2HG   LYS  44          HG3       LYS  44  -6.443  -7.744   4.170
  332   1HD   LYS  44          HD2       LYS  44  -7.033  -9.849   4.986
  333   2HD   LYS  44          HD3       LYS  44  -8.560  -9.258   4.274
  334   1HE   LYS  44          HE3       LYS  44  -7.647 -10.269   2.039
  335   2HE   LYS  44          HE2       LYS  44  -6.401 -11.026   3.023
  336   1HZ   LYS  44          HZ1       LYS  44  -8.216 -12.583   2.773
  337   2HZ   LYS  44          HZ2       LYS  44  -8.174 -12.091   4.342
  338   3HZ   LYS  44          HZ3       LYS  44  -9.313 -11.483   3.326
  339    H    SER  45           HN       SER  45  -7.033  -4.709   2.715
  340    HA   SER  45           HA       SER  45  -9.376  -3.459   1.603
  341   1HB   SER  45          HB2       SER  45  -7.004  -2.218   3.051
  342   2HB   SER  45          HB3       SER  45  -8.621  -1.513   2.841
  343    HG   SER  45           HG       SER  45  -8.390  -2.554   4.902
  344    H    VAL  46           HN       VAL  46  -6.036  -3.811   0.703
  345    HA   VAL  46           HA       VAL  46  -6.069  -1.561  -1.173
  346    HB   VAL  46           HB       VAL  46  -4.129  -3.792  -0.657
  347   1HG1  VAL  46          HG11      VAL  46  -4.104  -3.196  -3.162
  348   2HG1  VAL  46          HG12      VAL  46  -3.691  -1.550  -2.668
  349   3HG1  VAL  46          HG13      VAL  46  -2.594  -2.888  -2.282
  350   1HG2  VAL  46          HG21      VAL  46  -3.713  -0.829  -0.569
  351   2HG2  VAL  46          HG22      VAL  46  -4.380  -1.725   0.812
  352   3HG2  VAL  46          HG23      VAL  46  -2.746  -2.104   0.207
  353    H    LYS  47           HN       LYS  47  -5.989  -5.138  -1.642
  354    HA   LYS  47           HA       LYS  47  -6.502  -4.958  -4.398
  355   1HB   LYS  47          HB2       LYS  47  -6.576  -7.249  -4.409
  356   2HB   LYS  47          HB3       LYS  47  -5.694  -6.852  -2.916
  357   1HG   LYS  47          HG2       LYS  47  -7.981  -7.040  -1.736
  358   2HG   LYS  47          HG3       LYS  47  -8.524  -7.908  -3.170
  359   1HD   LYS  47          HD2       LYS  47  -6.005  -8.482  -1.545
  360   2HD   LYS  47          HD3       LYS  47  -7.576  -9.273  -1.246
  361   1HE   LYS  47          HE2       LYS  47  -7.545 -10.094  -3.662
  362   2HE   LYS  47          HE3       LYS  47  -5.891  -9.483  -3.806
  363   1HZ   LYS  47          HZ1       LYS  47  -5.203 -11.037  -2.102
  364   2HZ   LYS  47          HZ2       LYS  47  -6.758 -11.561  -1.899
  365   3HZ   LYS  47          HZ3       LYS  47  -5.961 -11.839  -3.304
  366    H    THR  48           HN       THR  48  -8.774  -5.007  -1.761
  367    HA   THR  48           HA       THR  48 -11.179  -5.156  -3.337
  368    HB   THR  48           HB       THR  48 -10.578  -4.114  -0.546
  369    HG1  THR  48           HG1      THR  48 -11.514  -6.143  -0.030
  370   1HG2  THR  48          HG21      THR  48 -12.691  -3.077  -1.184
  371   2HG2  THR  48          HG22      THR  48 -13.286  -4.618  -1.845
  372   3HG2  THR  48          HG23      THR  48 -13.017  -4.430  -0.099
  373    H    GLY  49           HN       GLY  49  -9.037  -2.371  -2.615
  374   1HA   GLY  49          HA2       GLY  49  -9.250  -0.184  -3.341
  375   2HA   GLY  49          HA3       GLY  49 -10.742  -0.584  -4.191
  376    H    LEU  50           HN       LEU  50  -9.390   0.589  -1.226
  377    HA   LEU  50           HA       LEU  50 -11.807   0.993   0.263
  378   1HB   LEU  50          HB2       LEU  50  -9.218   1.258   0.804
  379   2HB   LEU  50          HB3       LEU  50  -9.484   2.907   0.300
  380    HG   LEU  50           HG       LEU  50 -11.502   2.685   2.117
  381   1HD1  LEU  50          HD11      LEU  50 -11.069   0.256   2.489
  382   2HD1  LEU  50          HD12      LEU  50  -9.460   0.679   3.120
  383   3HD1  LEU  50          HD13      LEU  50 -10.918   1.234   3.961
  384   1HD2  LEU  50          HD21      LEU  50  -8.558   3.045   2.779
  385   2HD2  LEU  50          HD22      LEU  50  -9.695   4.310   2.266
  386   3HD2  LEU  50          HD23      LEU  50  -9.904   3.519   3.840
  387    H    ASN  51           HN       ASN  51 -12.563   3.331   0.702
  388    HA   ASN  51           HA       ASN  51 -14.191   4.048  -1.271
  389   1HB   ASN  51          HB2       ASN  51 -13.185   6.308   0.523
  390   2HB   ASN  51          HB3       ASN  51 -14.798   6.029  -0.099
  391   1HD2  ASN  51          HD22      ASN  51 -12.326   5.176   2.240
  392   2HD2  ASN  51          HD21      ASN  51 -13.235   3.957   3.094
  393    H    ALA  52           HN       ALA  52 -11.466   6.177  -0.568
  394    HA   ALA  52           HA       ALA  52 -11.495   7.468  -3.209
  395   1HB   ALA  52          HB1       ALA  52 -11.097   8.785  -1.202
  396   2HB   ALA  52          HB2       ALA  52  -9.734   7.745  -0.752
  397   3HB   ALA  52          HB3       ALA  52  -9.624   8.787  -2.189
  398    H    MET  53           HN       MET  53 -10.430   4.463  -2.391
  399    HA   MET  53           HA       MET  53  -7.874   4.690  -3.887
  400   1HB   MET  53          HB2       MET  53  -8.242   3.882  -1.384
  401   2HB   MET  53          HB3       MET  53  -8.497   2.314  -2.164
  402   1HG   MET  53          HG2       MET  53  -6.230   2.443  -3.140
  403   2HG   MET  53          HG3       MET  53  -6.152   4.143  -2.662
  404   1HE   MET  53          HE1       MET  53  -6.798   0.594  -0.918
  405   2HE   MET  53          HE2       MET  53  -5.227   0.639  -1.764
  406   3HE   MET  53          HE3       MET  53  -5.295   0.572   0.020
  407    HA   PRO  54           HA       PRO  54  -9.936   2.345  -7.047
  408   1HB   PRO  54          HB2       PRO  54  -7.815   1.689  -8.702
  409   2HB   PRO  54          HB3       PRO  54  -8.553   3.315  -8.607
  410   1HG   PRO  54          HG2       PRO  54  -6.126   2.312  -7.103
  411   2HG   PRO  54          HG3       PRO  54  -6.255   3.808  -8.076
  412   1HD   PRO  54          HD2       PRO  54  -6.525   3.826  -5.401
  413   2HD   PRO  54          HD3       PRO  54  -7.639   4.820  -6.399
  414    HA   PRO  55           HA       PRO  55  -9.566  -1.869  -5.558
  415   1HB   PRO  55          HB2       PRO  55 -10.536  -3.302  -7.674
  416   2HB   PRO  55          HB3       PRO  55 -11.576  -2.297  -6.623
  417   1HG   PRO  55          HG2       PRO  55 -10.358  -1.518  -9.290
  418   2HG   PRO  55          HG3       PRO  55 -12.068  -1.365  -8.786
  419   1HD   PRO  55          HD2       PRO  55 -10.377   0.726  -8.632
  420   2HD   PRO  55          HD3       PRO  55 -11.545   0.439  -7.306
  421    H    GLY  56           HN       GLY  56  -7.754  -3.156  -5.386
  422   1HA   GLY  56          HA2       GLY  56  -5.955  -4.383  -6.383
  423   2HA   GLY  56          HA3       GLY  56  -6.060  -3.419  -7.810
  424    H    GLY  57           HN       GLY  57  -6.375  -1.105  -5.476
  425   1HA   GLY  57          HA2       GLY  57  -4.994   0.545  -4.708
  426   2HA   GLY  57          HA3       GLY  57  -3.669  -0.622  -4.623
  427    H    MET  58           HN       MET  58  -5.443  -0.042  -7.542
  428    HA   MET  58           HA       MET  58  -5.090   0.998  -9.457
  429   1HB   MET  58          HB2       MET  58  -3.912   2.837  -8.045
  430   2HB   MET  58          HB3       MET  58  -2.407   2.139  -8.653
  431   1HG   MET  58          HG2       MET  58  -4.185   2.451 -10.897
  432   2HG   MET  58          HG3       MET  58  -4.264   3.931  -9.952
  433   1HE   MET  58          HE1       MET  58  -3.396   3.512 -13.006
  434   2HE   MET  58          HE2       MET  58  -3.572   5.101 -12.216
  435   3HE   MET  58          HE3       MET  58  -2.080   4.706 -13.106
  436    H    CYS  59           HN       CYS  59  -3.256  -1.521  -8.269
  437    HA   CYS  59           HA       CYS  59  -1.867  -1.980 -10.879
  438   1HB   CYS  59          HB2       CYS  59  -0.546  -2.389  -8.828
  439   2HB   CYS  59          HB3       CYS  59  -1.764  -3.572  -8.316
  440    H    THR  60           HN       THR  60  -2.595  -3.469 -12.311
  441    HA   THR  60           HA       THR  60  -5.118  -4.855 -11.879
  442    HB   THR  60           HB       THR  60  -3.173  -5.040 -14.223
  443    HG1  THR  60           HG1      THR  60  -4.745  -3.526 -15.083
  444   1HG2  THR  60          HG21      THR  60  -4.861  -6.868 -14.191
  445   2HG2  THR  60          HG22      THR  60  -6.150  -5.662 -13.974
  446   3HG2  THR  60          HG23      THR  60  -5.201  -5.700 -15.475
  447    H    ASP  61           HN       ASP  61  -2.042  -6.300 -13.102
  448    HA   ASP  61           HA       ASP  61  -3.093  -8.870 -12.374
  449   1HB   ASP  61          HB2       ASP  61  -1.644  -7.811 -14.468
  450   2HB   ASP  61          HB3       ASP  61  -0.358  -8.621 -13.571
  451    H    CYS  62           HN       CYS  62  -2.434  -7.396  -9.982
  452    HA   CYS  62           HA       CYS  62   0.301  -8.125  -9.257
  453   1HB   CYS  62          HB2       CYS  62  -1.654  -6.236  -8.051
  454   2HB   CYS  62          HB3       CYS  62  -0.300  -6.904  -7.114
  455    H    THR  63           HN       THR  63   1.114  -9.624  -8.019
  456    HA   THR  63           HA       THR  63  -0.685 -11.588  -6.757
  457    HB   THR  63           HB       THR  63   2.332 -11.749  -7.143
  458    HG1  THR  63           HG1      THR  63   1.806 -12.832  -9.098
  459   1HG2  THR  63          HG21      THR  63   1.184 -13.497  -5.704
  460   2HG2  THR  63          HG22      THR  63   0.165 -13.902  -7.101
  461   3HG2  THR  63          HG23      THR  63   1.919 -14.162  -7.171
  462    H    ASP  64           HN       ASP  64  -0.624 -11.982  -4.517
  463    HA   ASP  64           HA       ASP  64  -0.059 -10.197  -2.588
  464   1HB   ASP  64          HB2       ASP  64  -0.001 -13.186  -2.651
  465   2HB   ASP  64          HB3       ASP  64   0.149 -12.249  -1.165
  466    H    GLU  65           HN       GLU  65   2.374 -12.474  -3.899
  467    HA   GLU  65           HA       GLU  65   4.574 -11.954  -2.313
  468   1HB   GLU  65          HB2       GLU  65   4.779 -12.146  -5.346
  469   2HB   GLU  65          HB3       GLU  65   5.946 -12.622  -4.114
  470   1HG   GLU  65          HG2       GLU  65   4.208 -14.344  -3.303
  471   2HG   GLU  65          HG3       GLU  65   3.307 -13.990  -4.791
  472    H    ASP  66           HN       ASP  66   3.871 -10.017  -5.342
  473    HA   ASP  66           HA       ASP  66   5.900  -8.065  -4.567
  474   1HB   ASP  66          HB2       ASP  66   3.994  -8.279  -6.931
  475   2HB   ASP  66          HB3       ASP  66   4.986  -6.846  -6.620
  476    H    TYR  67           HN       TYR  67   2.381  -8.408  -4.212
  477    HA   TYR  67           HA       TYR  67   1.646  -5.741  -3.585
  478   1HB   TYR  67          HB2       TYR  67   0.556  -8.403  -3.490
  479   2HB   TYR  67          HB3       TYR  67   0.273  -7.716  -1.924
  480    HD1  TYR  67           HD1      TYR  67  -1.088  -5.563  -1.766
  481    HD2  TYR  67           HD2      TYR  67  -0.759  -7.986  -5.304
  482    HE1  TYR  67           HE1      TYR  67  -3.454  -5.138  -2.378
  483    HE2  TYR  67           HE2      TYR  67  -2.825  -6.897  -6.213
  484    HH   TYR  67           HH       TYR  67  -3.807  -4.517  -5.712
  485    H    LYS  68           HN       LYS  68   2.701  -8.409  -1.469
  486    HA   LYS  68           HA       LYS  68   2.440  -6.747   0.894
  487   1HB   LYS  68          HB2       LYS  68   2.854  -8.520   2.202
  488   2HB   LYS  68          HB3       LYS  68   1.888  -9.166   0.873
  489   1HG   LYS  68          HG2       LYS  68   4.068 -10.047  -0.135
  490   2HG   LYS  68          HG3       LYS  68   4.893  -9.573   1.354
  491   1HD   LYS  68          HD2       LYS  68   2.452 -11.406   1.237
  492   2HD   LYS  68          HD3       LYS  68   4.120 -11.995   1.245
  493   1HE   LYS  68          HE2       LYS  68   4.549 -11.110   3.449
  494   2HE   LYS  68          HE3       LYS  68   3.034 -10.203   3.485
  495   1HZ   LYS  68          HZ1       LYS  68   1.766 -12.101   3.623
  496   2HZ   LYS  68          HZ2       LYS  68   3.039 -13.127   3.351
  497   3HZ   LYS  68          HZ3       LYS  68   2.911 -12.244   4.747
  498    H    ALA  69           HN       ALA  69   5.171  -8.145  -1.015
  499    HA   ALA  69           HA       ALA  69   7.357  -6.999   0.319
  500   1HB   ALA  69          HB1       ALA  69   7.540  -8.525  -1.521
  501   2HB   ALA  69          HB2       ALA  69   6.876  -7.306  -2.628
  502   3HB   ALA  69          HB3       ALA  69   8.451  -7.039  -1.824
  503    H    ALA  70           HN       ALA  70   5.009  -5.404  -1.875
  504    HA   ALA  70           HA       ALA  70   6.366  -2.831  -1.867
  505   1HB   ALA  70          HB1       ALA  70   4.882  -3.451  -3.677
  506   2HB   ALA  70          HB2       ALA  70   3.493  -3.505  -2.573
  507   3HB   ALA  70          HB3       ALA  70   4.320  -1.974  -2.879
  508    H    ILE  71           HN       ILE  71   3.601  -4.097   0.043
  509    HA   ILE  71           HA       ILE  71   3.238  -1.735   1.673
  510    HB   ILE  71           HB       ILE  71   2.421  -4.596   1.772
  511   1HG1  ILE  71          HG12      ILE  71   0.531  -2.414   2.321
  512   2HG1  ILE  71          HG13      ILE  71   1.258  -2.443   0.703
  513   1HG2  ILE  71          HG21      ILE  71   3.023  -4.342   4.101
  514   2HG2  ILE  71          HG22      ILE  71   2.224  -2.754   4.166
  515   3HG2  ILE  71          HG23      ILE  71   1.267  -4.236   3.956
  516   1HD1  ILE  71          HD11      ILE  71   0.483  -4.741   0.391
  517   2HD1  ILE  71          HD12      ILE  71  -0.176  -4.771   2.045
  518   3HD1  ILE  71          HD13      ILE  71  -0.869  -3.679   0.826
  519    H    GLU  72           HN       GLU  72   5.331  -4.564   2.056
  520    HA   GLU  72           HA       GLU  72   6.437  -3.540   4.537
  521   1HB   GLU  72          HB2       GLU  72   7.772  -5.425   4.767
  522   2HB   GLU  72          HB3       GLU  72   6.103  -5.896   4.402
  523   1HG   GLU  72          HG2       GLU  72   6.681  -6.712   2.317
  524   2HG   GLU  72          HG3       GLU  72   8.221  -5.815   2.225
  525    H    PHE  73           HN       PHE  73   7.428  -3.170   1.197
  526    HA   PHE  73           HA       PHE  73   9.999  -2.142   1.684
  527   1HB   PHE  73          HB2       PHE  73   8.868  -2.340  -0.532
  528   2HB   PHE  73          HB3       PHE  73   7.907  -0.915  -0.149
  529    HD1  PHE  73           HD1      PHE  73  11.153  -2.150  -1.280
  530    HD2  PHE  73           HD2      PHE  73   9.056   1.323   0.191
  531    HE1  PHE  73           HE1      PHE  73  12.961  -0.678  -2.143
  532    HE2  PHE  73           HE2      PHE  73  10.913   2.767  -0.589
  533    HZ   PHE  73           HZ       PHE  73  12.833   1.769  -1.822
  534    H    MET  74           HN       MET  74   6.845  -0.509   2.248
  535    HA   MET  74           HA       MET  74   8.059   1.939   3.211
  536   1HB   MET  74          HB2       MET  74   5.268   0.779   3.237
  537   2HB   MET  74          HB3       MET  74   5.666   2.254   4.146
  538   1HG   MET  74          HG2       MET  74   4.926   3.159   2.166
  539   2HG   MET  74          HG3       MET  74   6.657   3.097   1.870
  540   1HE   MET  74          HE1       MET  74   3.623   0.450   1.481
  541   2HE   MET  74          HE2       MET  74   3.088   2.029   0.869
  542   3HE   MET  74          HE3       MET  74   3.351   0.681  -0.253
  543    H    SER  75           HN       SER  75   5.878  -0.107   5.170
  544    HA   SER  75           HA       SER  75   7.849  -0.461   7.280
  545   1HB   SER  75          HB2       SER  75   7.183   1.986   7.531
  546   2HB   SER  75          HB3       SER  75   5.578   1.411   8.008
  547    HG   SER  75           HG       SER  75   6.952   1.708   9.819
  548    H    LYS  76           HN       LYS  76   6.392  -2.191   5.841
  549    HA   LYS  76           HA       LYS  76   4.924  -3.990   5.942
  550   1HB   LYS  76          HB2       LYS  76   5.813  -5.616   7.431
  551   2HB   LYS  76          HB3       LYS  76   7.124  -4.620   6.782
  552   1HG   LYS  76          HG2       LYS  76   7.160  -3.294   8.905
  553   2HG   LYS  76          HG3       LYS  76   5.908  -4.363   9.555
  554   1HD   LYS  76          HD2       LYS  76   7.512  -6.318   8.951
  555   2HD   LYS  76          HD3       LYS  76   8.751  -5.058   8.743
  556   1HE   LYS  76          HE2       LYS  76   8.106  -4.210  11.071
  557   2HE   LYS  76          HE3       LYS  76   7.042  -5.615  11.220
  558   1HZ   LYS  76          HZ1       LYS  76   9.006  -7.028  10.910
  559   2HZ   LYS  76          HZ2       LYS  76   9.975  -5.702  10.858
  560   3HZ   LYS  76          HZ3       LYS  76   9.165  -6.073  12.242
  561    H    ALA  77           HN       ALA  77   3.316  -2.148   6.444
  562    HA   ALA  77           HA       ALA  77   1.344  -3.703   7.986
  563   1HB   ALA  77          HB1       ALA  77   2.317  -1.795   9.473
  564   2HB   ALA  77          HB2       ALA  77   1.331  -0.716   8.491
  565   3HB   ALA  77          HB3       ALA  77   0.571  -2.064   9.360
  566    H    LYS  78           HN       LYS  78   1.464  -0.557   6.364
  567    HA   LYS  78           HA       LYS  78  -0.934  -1.295   4.789
  568   1HB   LYS  78          HB2       LYS  78  -1.953   0.752   5.486
  569   2HB   LYS  78          HB3       LYS  78  -1.375  -0.067   6.931
  570   1HG   LYS  78          HG2       LYS  78   0.007   1.653   7.471
  571   2HG   LYS  78          HG3       LYS  78   0.629   1.802   5.831
  572   1HD   LYS  78          HD2       LYS  78  -1.460   2.986   5.107
  573   2HD   LYS  78          HD3       LYS  78  -2.057   2.858   6.772
  574   1HE   LYS  78          HE2       LYS  78  -1.109   4.867   6.905
  575   2HE   LYS  78          HE3       LYS  78   0.271   3.946   7.422
  576   1HZ   LYS  78          HZ1       LYS  78   1.038   3.885   5.093
  577   2HZ   LYS  78          HZ2       LYS  78  -0.139   4.911   4.651
  578   3HZ   LYS  78          HZ3       LYS  78   1.052   5.432   5.649
  579    HHA  HEC  90           HGM      HEM  90  -5.877   4.243   3.545
  580    HHB  HEC  90           HDM      HEM  90  -1.466   0.108   1.182
  581    HHC  HEC  90           HAM      HEM  90  -2.039   2.992  -4.598
  582    HHD  HEC  90           HBM      HEM  90  -5.460   7.734  -1.798
  583   1HMA  HEC  90          HM81      HEM  90  -3.874  -0.968   2.833
  584   2HMA  HEC  90          HM82      HEM  90  -2.171  -0.600   3.146
  585   3HMA  HEC  90          HM83      HEM  90  -3.401  -0.393   4.422
  586   1HAA  HEC  90          HA71      HEM  90  -4.755   3.013   5.248
  587   2HAA  HEC  90          HA72      HEM  90  -4.282   1.338   5.454
  588   1HBA  HEC  90          HB71      HEM  90  -6.456   0.587   4.512
  589   2HBA  HEC  90          HB72      HEM  90  -6.953   2.279   4.334
  590   1HMB  HEC  90          HM11      HEM  90  -0.577  -1.451  -0.998
  591   2HMB  HEC  90          HM12      HEM  90   0.807  -0.629  -1.723
  592   3HMB  HEC  90          HM13      HEM  90   0.403  -0.304  -0.062
  593    HAB  HEC  90          HT2A      HEM  90  -0.506   1.543  -4.744
  594   1HBB  HEC  90          HT21      HEM  90  -1.425  -0.754  -4.684
  595   2HBB  HEC  90          HT22      HEM  90   0.222  -0.674  -5.320
  596   3HBB  HEC  90          HT23      HEM  90  -0.065  -1.267  -3.679
  597   1HMC  HEC  90          HM31      HEM  90  -3.890   5.089  -6.520
  598   2HMC  HEC  90          HM32      HEM  90  -2.631   6.291  -6.139
  599   3HMC  HEC  90          HM33      HEM  90  -2.273   4.571  -6.055
  600    HAC  HEC  90          HT4A      HEM  90  -5.686   7.905  -3.862
  601   1HBC  HEC  90          HT41      HEM  90  -6.080   6.389  -5.799
  602   2HBC  HEC  90          HT42      HEM  90  -6.164   8.144  -6.071
  603   3HBC  HEC  90          HT43      HEM  90  -4.739   7.248  -6.613
  604   1HMD  HEC  90          HM51      HEM  90  -7.702   8.350  -0.072
  605   2HMD  HEC  90          HM52      HEM  90  -7.035   8.936   1.461
  606   3HMD  HEC  90          HM53      HEM  90  -6.125   9.146  -0.031
  607   1HAD  HEC  90          HA61      HEM  90  -7.830   5.538   3.130
  608   2HAD  HEC  90          HA62      HEM  90  -8.202   7.115   2.465
  609   1HBD  HEC  90          HB61      HEM  90  -6.551   8.159   3.997
  610   2HBD  HEC  90          HB62      HEM  90  -6.176   6.549   4.666